Supporting Information Table S2. Four-dimensional densities of significantly compatible or incompatible energetic matches to all sequences and structures in the database. Index PDBid Residue Number SScode [dG] [dHap] [dHpol] [TdSconf] NativeTE PCIWithRespectToSequence NCIWithRespectToSequence PCIWithRespectToStructure NCIWithRespectToStructure SequenceClassification StructureClassification 1 1A17 PRO 19 C -4.145 4 -3.586 -0.101 1 - - - - - - 2 1A17 PRO 20 C -4.145 4 -3.586 -0.101 1 - - - - - - 3 1A17 ALA 21 C -4.145 4 -3.586 -0.101 1 - - - - - - 4 1A17 ASP 22 H -4.145 4 -3.586 -0.101 1 - - - - - - 5 1A17 GLY 23 H -4.464 4.203 -4.488 -0.77 1 - - - - - - 6 1A17 ALA 24 H -5.005 5.863 -7.456 -3.288 1 - - - - - - 7 1A17 LEU 25 H -5.611 6.679 -8.647 -4.274 2 - - - - - - 8 1A17 LYS 26 H -6.656 6.382 -9.248 -3.685 2 - - - - - - 9 1A17 ARG 27 H -10.332 7.335 -11.316 -1.785 5 - - - - - - 10 1A17 ALA 28 H -11.658 8.35 -14.274 -3.092 6 - - - - - - 11 1A17 GLU 29 H -12.116 7.014 -16.559 -4.05 6 - - - - - - 12 1A17 GLU 30 H -12.126 7.01 -16.546 -4.074 6 - - - - - - 13 1A17 LEU 31 H -13.189 11.248 -15.771 -3.617 8 417 1049 1470 1613 Selective Selective 14 1A17 LYS 32 H -13.112 11.048 -15.936 -3.666 8 243 151 1463 1569 Gatekeeper Selective 15 1A17 THR 33 H -12.518 8.196 -15.192 -2.556 6 236 7 1402 1462 Inactive Selective 16 1A17 GLN 34 H -12.558 8.15 -15.274 -2.621 6 280 12 1351 1359 Inactive Selective 17 1A17 ALA 35 H -12.567 8.112 -15.218 -2.586 6 295 19 1294 1258 Inactive Selective 18 1A17 ASN 36 H -12.374 9.254 -15.202 -3.235 6 313 34 1216 1145 Inactive Selective 19 1A17 ASP 37 H -11.535 11 -12.764 -3.012 7 320 40 1121 1020 Inactive Selective 20 1A17 TYR 38 H -11.411 11.518 -12.05 -2.685 7 356 65 1015 868 Inactive Selective 21 1A17 PHE 39 H -10.962 9.065 -11.237 -1.42 5 389 93 891 683 Inactive Gatekeeper 22 1A17 LYS 40 H -10.57 8.485 -12.517 -2.435 5 368 98 776 511 Inactive Gatekeeper 23 1A17 ALA 41 H -10.26 8.214 -13.306 -3.254 5 398 104 671 342 Inactive Inactive 24 1A17 LYS 42 C -10.261 7.96 -13.523 -3.32 5 411 108 576 208 Inactive Inactive 25 1A17 ASP 43 C -10.277 7.859 -13.623 -3.379 5 424 113 505 103 Permissive Inactive 26 1A17 TYR 44 H -10.384 8.061 -14.239 -3.991 5 408 118 449 41 Inactive Inactive 27 1A17 GLU 45 H -10.406 8.37 -14.059 -3.961 5 414 120 420 18 Inactive Inactive 28 1A17 ASN 46 H -10.749 9.63 -13.483 -3.585 5 417 121 413 12 Permissive Inactive 29 1A17 ALA 47 H -10.881 9.864 -13.224 -3.557 5 416 162 402 11 Selective Inactive 30 1A17 ILE 48 H -10.906 9.833 -13.235 -3.619 5 422 207 401 12 Selective Inactive 31 1A17 LYS 49 H -10.911 9.818 -13.246 -3.639 5 432 334 409 10 Selective Inactive 32 1A17 PHE 50 H -11.789 13.35 -13.055 -4.531 7 477 595 412 11 Selective Inactive 33 1A17 TYR 51 H -14.872 16.988 -14.85 -3.57 7 447 635 416 13 Selective Inactive 34 1A17 SER 52 H -12.879 8.937 -14.815 -2.785 6 419 665 426 15 Selective Inactive 35 1A17 GLN 53 H -11.583 10.418 -10.767 -1.33 4 436 864 438 22 Selective Inactive 36 1A17 ALA 54 H -11.415 10.519 -10.449 -1.043 4 398 976 471 35 Gatekeeper Inactive 37 1A17 ILE 55 H -11.006 10.213 -11.615 -2.056 5 372 1022 501 54 Gatekeeper Inactive 38 1A17 GLU 56 H -10.048 9.106 -12.337 -3.526 5 363 1086 537 122 Gatekeeper Inactive 39 1A17 LEU 57 H -10.032 9.113 -12.355 -3.505 5 394 1182 598 272 Gatekeeper Inactive 40 1A17 ASN 58 T -10.022 8.929 -12.428 -3.475 5 406 1288 659 459 Gatekeeper Inactive 41 1A17 PRO 59 T -9.956 8.687 -12.087 -3.058 5 434 1358 716 712 Selective Gatekeeper 42 1A17 SER 60 T -10.006 8.586 -12.032 -3.058 5 417 1327 777 1036 Selective Gatekeeper 43 1A17 ASN 61 T -10.818 7.876 -10.615 -0.614 5 415 1316 825 1383 Selective Gatekeeper 44 1A17 ALA 62 H -10.9 7.68 -10.196 -0.3 5 434 1289 872 1760 Selective Gatekeeper 45 1A17 ILE 63 H -11.162 7.49 -9.408 0.25 4 426 1105 924 2166 Selective Selective 46 1A17 TYR 64 H -13.273 12.766 -14.666 -3.597 7 464 1073 985 2559 Selective Selective 47 1A17 TYR 65 H -14.5 17.46 -15.07 -4.576 8 491 1047 1031 2908 Selective Selective 48 1A17 GLY 66 H -15.053 16.906 -15.174 -3.841 8 592 936 1059 3180 Selective Selective 49 1A17 ASN 67 H -15.868 13.22 -19.661 -4.77 8 628 841 1056 3385 Selective Selective 50 1A17 ARG 68 H -15.994 12.606 -20.506 -5.182 8 628 814 1040 3536 Selective Selective 51 1A17 SER 69 H -15.388 15.053 -14.924 -2.406 8 621 761 1016 3578 Selective Selective 52 1A17 LEU 70 H -13.921 17.723 -12.497 -3.339 7 621 692 980 3509 Selective Selective 53 1A17 ALA 71 H -12.763 18.103 -12.034 -4.43 7 588 602 960 3390 Selective Selective 54 1A17 TYR 72 H -12.009 16.758 -11.207 -3.722 7 559 567 946 3177 Selective Selective 55 1A17 LEU 73 H -9.228 10.858 -7.423 -1.444 4 533 565 916 2880 Selective Selective 56 1A17 ARG 74 H -9.185 10.828 -7.474 -1.374 4 508 541 912 2575 Selective Selective 57 1A17 THR 75 H -7.792 8.878 -9.047 -3.181 4 462 433 914 2254 Selective Selective 58 1A17 GLU 76 C -7.336 9.483 -9.161 -3.793 4 417 372 931 1916 Selective Selective 59 1A17 CYS 77 C -7.324 9.521 -9.162 -3.773 4 373 371 938 1590 Gatekeeper Selective 60 1A17 TYR 78 H -7.348 9.469 -9.236 -3.869 4 331 349 957 1293 Gatekeeper Selective 61 1A17 GLY 79 H -7.283 9.072 -9.05 -3.485 4 171 260 976 1048 Gatekeeper Selective 62 1A17 TYR 80 H -7.569 9.32 -8.958 -3.556 4 124 244 1000 862 Gatekeeper Selective 63 1A17 ALA 81 H -8.504 6.672 -7.84 -0.614 2 103 222 1032 718 Gatekeeper Selective 64 1A17 LEU 82 H -8.594 5.867 -7.637 -0.263 1 94 206 1055 631 Gatekeeper Selective 65 1A17 GLY 83 H -8.596 5.835 -7.63 -0.257 1 58 176 1068 576 Gatekeeper Selective 66 1A17 ASP 84 H -10.754 8.723 -14.021 -3.675 5 58 156 1045 534 Gatekeeper Selective 67 1A17 ALA 85 H -11.07 8.59 -14.352 -3.845 6 44 118 1022 535 Inactive Selective 68 1A17 THR 86 H -11.061 10.633 -13.218 -3.813 7 45 104 1009 545 Inactive Selective 69 1A17 ARG 87 H -11.025 12.284 -12.065 -3.606 7 44 86 981 535 Inactive Selective 70 1A17 ALA 88 H -10.83 12.21 -11.43 -3.024 7 44 79 952 523 Inactive Selective 71 1A17 ILE 89 H -10.356 10.253 -10.104 -1.617 4 54 57 913 504 Inactive Selective 72 1A17 GLU 90 H -8.861 8.034 -10.94 -3.229 5 160 27 892 513 Inactive Gatekeeper 73 1A17 LEU 91 H -8.754 8.785 -10.852 -3.41 5 192 19 887 603 Inactive Gatekeeper 74 1A17 ASP 92 T -8.672 9.181 -10.628 -3.321 5 254 20 891 717 Inactive Gatekeeper 75 1A17 LYS 93 T -8.67 9.196 -10.62 -3.315 5 305 17 896 863 Inactive Selective 76 1A17 LYS 94 T -8.656 9.357 -10.485 -3.262 4 372 40 892 1076 Inactive Gatekeeper 77 1A17 TYR 95 T -9.281 12.196 -9.5 -3.061 4 448 68 898 1292 Permissive Selective 78 1A17 ILE 96 H -9.618 11.938 -8.666 -2.1 4 527 73 897 1524 Permissive Selective 79 1A17 LYS 97 H -10.28 12.019 -7.563 -0.828 4 633 83 930 1758 Permissive Selective 80 1A17 GLY 98 H -10.389 11.933 -7.187 -0.677 4 720 102 958 1968 Permissive Selective 81 1A17 TYR 99 H -13.387 17.594 -13.431 -4.473 7 1064 172 993 2182 Selective Selective 82 1A17 TYR 100 H -14.244 18.069 -14.812 -5.341 8 1140 193 1005 2375 Selective Selective 83 1A17 ARG 101 H -16.162 15.258 -18.596 -4.788 8 1182 202 1005 2455 Selective Selective 84 1A17 ARG 102 H -15.174 11.331 -17.667 -3.527 8 1182 205 991 2464 Selective Selective 85 1A17 ALA 103 H -14.253 10.529 -15.393 -2.164 8 1080 210 972 2433 Selective Selective 86 1A17 ALA 104 H -13.537 9.651 -13.661 -1.145 5 1055 219 930 2312 Selective Selective 87 1A17 SER 105 H -12.909 11.146 -14.555 -2.953 7 1005 227 886 2204 Selective Gatekeeper 88 1A17 ASN 106 H -10.6 11.107 -12.981 -4.689 7 956 225 841 2048 Selective Gatekeeper 89 1A17 MET 107 H -8.554 8.784 -9.379 -2.8 4 891 204 813 1830 Selective Gatekeeper 90 1A17 ALA 108 H -8.526 8.842 -9.366 -2.732 4 830 188 776 1611 Selective Gatekeeper 91 1A17 LEU 109 H -8.524 8.844 -9.367 -2.72 4 750 182 739 1378 Selective Gatekeeper 92 1A17 GLY 110 C -8.522 8.846 -9.378 -2.722 4 652 178 696 1149 Selective Gatekeeper 93 1A17 LYS 111 C -8.537 8.797 -9.287 -2.668 4 590 162 660 926 Selective Gatekeeper 94 1A17 PHE 112 H -10.206 10.212 -9.688 -1.567 4 272 94 618 697 Inactive Gatekeeper 95 1A17 ARG 113 H -10.777 9.745 -10.884 -1.456 5 239 73 590 487 Inactive Gatekeeper 96 1A17 ALA 114 H -10.916 9.858 -11.222 -1.777 5 228 64 584 384 Inactive Inactive 97 1A17 ALA 115 H -11.031 9.87 -10.651 -1.436 4 264 73 600 354 Inactive Inactive 98 1A17 LEU 116 H -11.268 8.435 -9.706 -0.153 4 279 67 612 340 Inactive Inactive 99 1A17 ARG 117 H -11.276 8.355 -9.665 -0.12 4 295 57 638 344 Inactive Inactive 100 1A17 ASP 118 H -14.1 9.325 -13.738 -0.575 5 295 44 675 327 Inactive Inactive 101 1A17 TYR 119 H -14.129 16.471 -11.203 -1.343 7 326 49 733 336 Inactive Inactive 102 1A17 GLU 120 H -9.717 10.33 -9.808 -2.637 4 336 55 767 330 Inactive Inactive 103 1A17 THR 121 H -8.108 11.39 -7.998 -3.343 4 353 53 807 319 Inactive Inactive 104 1A17 VAL 122 H -8.043 11.552 -7.954 -3.24 4 372 56 850 300 Inactive Inactive 105 1A17 VAL 123 H -7.969 11.211 -7.958 -2.977 4 364 51 881 282 Inactive Inactive 106 1A17 LYS 124 H -7.585 8.796 -7.1 -1.513 4 362 52 924 283 Inactive Permissive 107 1A17 VAL 125 H -7.442 8.4 -7.74 -1.839 4 417 56 957 287 Permissive Permissive 108 1A17 LYS 126 T -7.087 6.959 -9.174 -2.933 2 487 59 988 301 Permissive Permissive 109 1A17 PRO 127 T -6.82 5.994 -9.382 -2.796 2 676 120 1007 300 Permissive Permissive 110 1A17 HIS 128 T -6.791 5.947 -9.359 -2.725 2 1018 118 1007 287 Permissive Permissive 111 1A17 ASP 129 T -6.87 5.918 -9.817 -3.127 2 1518 144 1010 264 Permissive Permissive 112 1A17 LYS 130 H -6.925 5.788 -9.798 -3.139 2 1681 155 997 244 Selective Permissive 113 1A17 ASP 131 H -7.299 4.817 -9.542 -2.355 1 1813 179 959 225 Selective Permissive 114 1A17 ALA 132 H -8.393 5.982 -8.856 -1.332 2 1858 178 892 196 Selective Inactive 115 1A17 LYS 133 H -10.426 7.419 -13.746 -3.335 5 1930 184 837 181 Selective Inactive 116 1A17 MET 134 H -10.472 7.547 -13.89 -3.571 5 2021 197 785 171 Selective Inactive 117 1A17 LYS 135 H -11.056 9.584 -14.13 -4.499 6 2057 202 731 166 Selective Inactive 118 1A17 TYR 136 H -13.17 11.018 -15.503 -3.239 8 2126 231 687 157 Selective Inactive 119 1A17 GLN 137 H -12.477 7.903 -16.647 -3.701 6 2127 246 613 126 Selective Inactive 120 1A17 GLU 138 H -11.81 7.932 -14.537 -2.724 6 2073 247 550 100 Selective Inactive 121 1A17 CYS 139 H -11.692 8.197 -13.956 -2.385 5 1971 247 500 70 Selective Inactive 122 1A17 ASN 140 H -10.16 8.589 -12.121 -3.079 5 1755 186 457 51 Selective Inactive 123 1A17 LYS 141 H -8.88 8.497 -11.111 -3.705 5 1377 176 441 38 Selective Inactive 124 1A17 ILE 142 H -8.87 8.538 -11.118 -3.691 5 871 155 437 34 Selective Inactive 125 1A17 VAL 143 H -8.866 8.532 -11.118 -3.674 5 702 147 457 33 Selective Inactive 126 1A17 LYS 144 H -8.861 8.513 -11.121 -3.651 5 600 129 491 35 Permissive Inactive 127 1A17 GLN 145 H -8.882 8.446 -11.178 -3.691 5 537 129 537 41 Permissive Inactive 128 1A17 LYS 146 H -8.348 7.38 -10.449 -3.368 5 469 118 580 52 Permissive Inactive 129 1A17 ALA 147 H -8.041 6.753 -9.987 -2.663 4 369 109 617 63 Inactive Inactive 130 1A17 PHE 148 H -7.977 6.615 -9.853 -2.41 4 345 140 662 70 Inactive Inactive 131 1A17 GLU 149 H -7.904 6.381 -9.555 -2.017 2 283 118 695 77 Inactive Inactive 132 1A17 ARG 150 H -7.699 5.918 -9.744 -2.03 2 287 114 739 87 Inactive Inactive 133 1A17 ALA 151 H -7.303 4.685 -10.442 -2.757 1 290 125 799 104 Inactive Inactive 134 1A17 ILE 152 H -7.372 4.52 -10.619 -2.904 1 304 131 843 114 Inactive Inactive 135 1A17 ALA 153 H -7.384 4.455 -10.723 -2.982 1 322 134 896 130 Inactive Permissive 136 1A17 GLY 154 H -7.405 4.431 -10.9 -3.148 1 334 134 948 145 Inactive Permissive 137 1A17 ASP 155 H -7.521 4.333 -11.059 -3.378 3 324 128 977 156 Inactive Permissive 138 1A17 GLU 156 H -9.065 3.888 -12.684 -1.936 5 309 124 1014 168 Inactive Permissive 139 1A17 HIS 157 H -9.102 3.955 -12.515 -1.797 5 269 117 1069 188 Inactive Permissive 140 1A17 LYS 158 H -9.315 4.497 -12.567 -1.882 5 249 111 1137 218 Inactive Permissive 141 1A17 ARG 159 H -9.502 5.055 -13.116 -2.285 5 229 107 1234 265 Inactive Permissive 142 1A17 SER 160 H -8.278 4.573 -10.696 -2.051 1 203 93 1332 325 Inactive Permissive 143 1A17 VAL 161 H -5.894 4.891 -7.936 -2.878 1 164 53 1425 386 Inactive Permissive 144 1A17 VAL 162 H -5.743 4.586 -8.11 -2.681 1 152 45 1530 444 Inactive Permissive 145 1A17 ASP 163 H -5.499 3.676 -8.084 -2.308 1 124 30 1639 505 Inactive Selective 146 1A17 SER 164 H -5.347 3.385 -8.036 -2.117 1 94 12 1736 558 Inactive Selective 147 1A17 LEU 165 C -2.242 2.28 -5.925 -4.139 1 - - - - - - 148 1A17 ASP 166 T -1.336 1.466 -5.482 -3.965 1 - - - - - - 149 1A17 ILE 167 T -1.233 1.474 -5.554 -3.888 1 - - - - - - 150 1A17 GLU 168 T -1.19 1.457 -5.606 -3.835 1 - - - - - - 151 1A17 SER 169 T -1.146 1.438 -5.587 -3.732 1 - - - - - - 152 1A17 MET 170 T -0.778 1.026 -4.462 -2.819 1 - - - - - - 153 1A17 THR 171 C 0.713 0.744 -1.574 -2.33 1 - - - - - - 154 1A17 ILE 172 C 1.283 1.07 -2.472 -3.498 1 - - - - - - 155 1A17 GLU 173 C 1.589 1.905 -3.655 -4.721 1 - - - - - - 156 1A17 ASP 174 C 1.703 2.347 -4.308 -5.241 1 - - - - - - 157 1A17 GLU 175 C 1.703 2.347 -4.308 -5.241 1 - - - - - - 158 1A17 TYR 176 C 1.703 2.347 -4.308 -5.241 1 - - - - - - 159 1A17 SER 177 C 1.703 2.347 -4.308 -5.241 1 - - - - - - 160 1A3K LEU 114 C -3.796 5.319 -5.096 -2.303 1 - - - - - - 161 1A3K ILE 115 T -3.796 5.319 -5.096 -2.303 1 - - - - - - 162 1A3K VAL 116 T -3.796 5.319 -5.096 -2.303 1 - - - - - - 163 1A3K PRO 117 T -3.796 5.319 -5.096 -2.303 1 - - - - - - 164 1A3K TYR 118 E -6.491 9.28 -8.171 -3.449 4 - - - - - - 165 1A3K ASN 119 E -7.804 10.866 -10.605 -4.534 4 - - - - - - 166 1A3K LEU 120 E -7.444 11.335 -9.072 -4.024 4 - - - - - - 167 1A3K PRO 121 E -5.095 8.203 -7.645 -4.148 2 - - - - - - 168 1A3K LEU 122 T -4.959 8.623 -7.635 -4.159 2 - - - - - - 169 1A3K PRO 123 T -4.781 8.321 -7.782 -4.076 2 - - - - - - 170 1A3K GLY 124 T -4.719 8.392 -7.808 -4.056 2 - - - - - - 171 1A3K GLY 125 T -4.722 8.371 -7.804 -4.055 2 - - - - - - 172 1A3K VAL 126 C -5.161 8.618 -8.005 -3.95 2 5707 20441 1386 799 Selective Inactive 173 1A3K VAL 127 T -5.362 7.957 -8.169 -3.847 2 5220 18412 1381 884 Selective Inactive 174 1A3K PRO 128 T -6.059 9.075 -8.101 -3.866 2 4884 16728 1383 960 Selective Inactive 175 1A3K ARG 129 T -8.137 10.175 -9.854 -3.519 4 4508 14386 1380 1043 Selective Inactive 176 1A3K MET 130 E -9.706 13.757 -10.687 -3.947 7 4514 12367 1406 1122 Selective Inactive 177 1A3K LEU 131 E -10.461 16.936 -11.601 -4.819 7 4567 11115 1424 1158 Selective Inactive 178 1A3K ILE 132 E -9.229 14.632 -10.419 -4.655 7 4346 9782 1418 1163 Selective Inactive 179 1A3K THR 133 E -8.608 13.312 -10.799 -4.776 7 3795 8059 1415 1162 Selective Inactive 180 1A3K ILE 134 E -8.384 13.465 -10.512 -4.615 7 3215 6568 1405 1168 Selective Inactive 181 1A3K LEU 135 E -8.323 13.326 -10.662 -4.616 7 2809 5693 1388 1171 Selective Inactive 182 1A3K GLY 136 E -8.07 12.118 -10.907 -4.489 4 2238 4669 1382 1170 Selective Inactive 183 1A3K THR 137 E -7.037 9.296 -9.958 -4.14 4 2057 4191 1401 1225 Selective Inactive 184 1A3K VAL 138 E -6.03 8.812 -8.673 -3.987 2 1945 4032 1426 1303 Selective Inactive 185 1A3K LYS 139 T -5.225 7.601 -8.94 -4.416 2 1847 3986 1462 1405 Selective Inactive 186 1A3K PRO 140 T -5.213 7.598 -8.988 -4.416 2 1801 4011 1500 1534 Selective Inactive 187 1A3K ASN 141 T -5.215 7.591 -8.982 -4.417 2 1683 3604 1566 1706 Selective Permissive 188 1A3K ALA 142 T -5.238 7.54 -8.949 -4.43 2 1538 3360 1625 1929 Selective Permissive 189 1A3K ASN 143 C -5.383 7.206 -9.098 -4.56 2 1278 2974 1677 2189 Selective Selective 190 1A3K ARG 144 B -7.524 7.604 -11.421 -4.437 5 963 2445 1710 2472 Selective Selective 191 1A3K ILE 145 E -10.402 11.696 -13.285 -4.596 7 835 2069 1758 2957 Selective Selective 192 1A3K ALA 146 E -12.379 13.709 -15.202 -4.525 8 775 1798 1798 3510 Selective Selective 193 1A3K LEU 147 E -13.041 15.31 -15.251 -4.643 8 783 1697 1843 4037 Selective Selective 194 1A3K ASP 148 E -13.865 18.358 -15.155 -4.839 8 751 1538 1889 4541 Selective Selective 195 1A3K PHE 149 E -12.945 14.305 -16.967 -5.739 8 720 1460 1937 5019 Permissive Selective 196 1A3K GLN 150 E -10.472 7.693 -17.04 -5.87 6 710 1491 1982 5431 Permissive Selective 197 1A3K ARG 151 E -8.979 8.154 -14.476 -5.367 6 696 1650 2039 5809 Gatekeeper Selective 198 1A3K GLY 152 T -8.692 8.122 -14.215 -5.123 6 637 1758 2082 6119 Gatekeeper Selective 199 1A3K ASN 153 T -8.692 8.126 -14.216 -5.123 6 606 1719 2117 6369 Gatekeeper Selective 200 1A3K ASP 154 E -8.692 8.123 -14.214 -5.122 6 558 1754 2121 6556 Gatekeeper Selective 201 1A3K VAL 155 E -8.722 8.149 -14.068 -5.084 6 536 1976 2135 6658 Gatekeeper Selective 202 1A3K ALA 156 E -9.259 8.083 -13.799 -4.731 5 545 2248 2130 6689 Gatekeeper Selective 203 1A3K PHE 157 E -12.988 15.242 -15.221 -4.8 8 621 2666 2117 6794 Gatekeeper Selective 204 1A3K HIS 158 E -14.325 19.808 -15.277 -4.946 8 606 2652 2081 6579 Gatekeeper Selective 205 1A3K PHE 159 E -14.515 20.884 -14.74 -4.956 8 622 2731 2031 6190 Gatekeeper Selective 206 1A3K ASN 160 E -15.133 18.101 -18.258 -5.573 8 623 2609 2000 5779 Gatekeeper Selective 207 1A3K PRO 161 E -14.904 16.102 -19.281 -5.79 8 626 2546 1958 5348 Gatekeeper Selective 208 1A3K ARG 162 E -13.352 11.806 -18.931 -5.983 8 704 2430 1912 4894 Gatekeeper Selective 209 1A3K PHE 163 E -8.028 9.2 -12.769 -5.648 6 760 2295 1853 4407 Selective Selective 210 1A3K ASN 164 E -4.872 3.937 -10.256 -4.691 2 951 2077 1810 3937 Selective Selective 211 1A3K GLU 165 E -4.862 3.969 -10.287 -4.687 2 1007 1850 1759 3519 Selective Selective 212 1A3K ASN 166 T -4.845 4.054 -10.284 -4.661 2 1060 1781 1733 3157 Selective Selective 213 1A3K ASN 167 T -4.844 4.057 -10.285 -4.661 2 1104 1717 1715 2846 Selective Selective 214 1A3K ARG 168 E -4.847 4.033 -10.273 -4.656 2 1114 1507 1718 2603 Selective Selective 215 1A3K ARG 169 E -6.67 6.554 -10.876 -4.041 3 1124 1245 1708 2410 Permissive Selective 216 1A3K VAL 170 E -6.938 6.992 -10.194 -3.791 2 1050 812 1698 2150 Permissive Selective 217 1A3K ILE 171 E -9.326 10.815 -11.368 -3.697 4 1044 756 1696 2063 Permissive Selective 218 1A3K VAL 172 E -10.784 13.658 -13.238 -4.271 7 1018 651 1702 2071 Permissive Selective 219 1A3K CYS 173 E -11.073 13.834 -14.327 -4.922 7 970 613 1672 2064 Permissive Selective 220 1A3K ASN 174 E -11.113 12.252 -16.203 -5.614 8 960 529 1642 2051 Permissive Selective 221 1A3K THR 175 E -9.224 8.462 -14.326 -5.262 6 904 462 1628 2023 Permissive Permissive 222 1A3K LYS 176 E -5.948 6.089 -10.773 -4.901 3 880 441 1630 2046 Permissive Permissive 223 1A3K LEU 177 E -4.809 7.429 -8.979 -4.961 2 701 404 1601 2093 Inactive Selective 224 1A3K ASP 178 T -4.603 7.013 -9.386 -5.025 3 777 514 1596 2186 Permissive Selective 225 1A3K ASN 179 T -4.6 7.007 -9.406 -5.025 3 767 622 1577 2271 Permissive Selective 226 1A3K ASN 180 E -4.6 7.007 -9.406 -5.025 3 801 774 1564 2353 Permissive Selective 227 1A3K TRP 181 E -4.664 7.112 -9.251 -5.039 3 786 827 1546 2420 Permissive Gatekeeper 228 1A3K GLY 182 C -5.318 6.006 -10.417 -5.174 3 801 869 1556 2523 Permissive Gatekeeper 229 1A3K ARG 183 C -7.722 5.979 -13.658 -5.153 3 904 889 1590 2637 Permissive Selective 230 1A3K GLU 184 C -9.228 6.806 -15.726 -5.536 6 1005 924 1614 2711 Permissive Selective 231 1A3K GLU 185 E -10.588 6.957 -18.006 -5.728 6 1113 1245 1635 2794 Permissive Selective 232 1A3K ARG 186 E -10.921 7.379 -17.662 -5.302 6 1088 1456 1668 2852 Permissive Selective 233 1A3K GLN 187 E -10.237 12.715 -12.378 -4.34 7 1057 1610 1732 2966 Selective Selective 234 1A3K SER 188 C -9.775 15.079 -10.783 -4.25 7 1004 1926 1813 3162 Selective Selective 235 1A3K VAL 189 C -9.6 15.917 -10.591 -4.418 7 942 2228 1870 3338 Selective Selective 236 1A3K PHE 190 C -9.587 16.109 -10.542 -4.437 7 909 2490 1933 3496 Selective Selective 237 1A3K PRO 191 C -9.259 15.659 -10.72 -4.675 7 752 2598 1952 3518 Selective Selective 238 1A3K PHE 192 C -8.445 13.057 -10.907 -4.933 7 708 2628 1978 3476 Selective Selective 239 1A3K GLU 193 T -5.79 6.046 -10.147 -4.521 3 625 2568 1968 3358 Gatekeeper Selective 240 1A3K SER 194 T -5.788 6.065 -10.154 -4.522 3 588 2778 1951 3221 Gatekeeper Selective 241 1A3K GLY 195 T -5.787 6.07 -10.157 -4.523 3 531 2957 1894 3007 Gatekeeper Selective 242 1A3K LYS 196 E -5.788 6.06 -10.155 -4.522 3 391 2937 1823 2780 Gatekeeper Selective 243 1A3K PRO 197 E -5.793 6.004 -10.148 -4.518 3 274 2957 1730 2576 Gatekeeper Selective 244 1A3K PHE 198 E -8.865 11.599 -11.888 -4.829 5 152 2629 1633 2412 Gatekeeper Selective 245 1A3K LYS 199 E -9.907 12.75 -13.027 -5.324 7 133 2322 1561 2344 Gatekeeper Gatekeeper 246 1A3K ILE 200 E -11.786 16.804 -13.432 -5.04 7 127 2150 1474 2194 Gatekeeper Gatekeeper 247 1A3K GLN 201 E -12.3 17.828 -13.806 -4.944 7 134 1824 1360 1962 Gatekeeper Inactive 248 1A3K VAL 202 E -10.422 14.884 -10.909 -4.02 7 141 1501 1248 1715 Inactive Inactive 249 1A3K LEU 203 E -8.506 12.132 -10.256 -4.318 4 148 1232 1141 1443 Inactive Inactive 250 1A3K VAL 204 E -7.843 11.142 -10.588 -4.534 4 151 1016 1050 1242 Inactive Inactive 251 1A3K GLU 205 T -7.819 11.252 -10.637 -4.558 4 142 878 948 1087 Inactive Inactive 252 1A3K PRO 206 T -7.818 11.256 -10.643 -4.56 4 132 790 893 993 Inactive Inactive 253 1A3K ASP 207 T -7.825 11.215 -10.641 -4.566 4 115 480 837 901 Inactive Inactive 254 1A3K HIS 208 E -8.04 10.862 -10.821 -4.67 4 118 230 832 845 Inactive Inactive 255 1A3K PHE 209 E -9.695 13.924 -11.913 -5.146 7 185 227 846 811 Inactive Inactive 256 1A3K LYS 210 E -11.496 14.717 -14.398 -5.356 8 217 148 884 785 Inactive Inactive 257 1A3K VAL 211 E -11.352 10.658 -14.789 -4.2 6 279 131 935 718 Inactive Inactive 258 1A3K ALA 212 E -9.031 7.008 -13.335 -4.135 5 390 134 965 673 Inactive Inactive 259 1A3K VAL 213 E -8.068 7.289 -12.672 -4.448 5 438 127 1001 681 Inactive Inactive 260 1A3K ASN 214 T -8.003 7.362 -12.817 -4.49 5 500 123 1045 736 Inactive Inactive 261 1A3K ASP 215 T -7.987 7.448 -12.835 -4.496 5 552 114 1095 812 Inactive Inactive 262 1A3K ALA 216 E -7.977 7.52 -12.842 -4.505 5 598 103 1149 907 Inactive Inactive 263 1A3K HIS 217 E -8.085 7.637 -12.75 -4.579 5 638 86 1207 1000 Inactive Inactive 264 1A3K LEU 218 E -9.117 8.953 -13.885 -4.837 6 695 80 1264 1147 Inactive Inactive 265 1A3K LEU 219 E -9.806 11.053 -13.509 -4.803 7 710 69 1305 1292 Permissive Inactive 266 1A3K GLN 220 E -10.331 11.772 -13.515 -4.965 7 709 63 1340 1422 Permissive Inactive 267 1A3K TYR 221 E -13.469 16.768 -16.222 -5.749 8 687 59 1367 1526 Inactive Inactive 268 1A3K ASN 222 E -12.058 10.68 -16.819 -5.339 8 617 18 1369 1581 Inactive Inactive 269 1A3K HIS 223 T -11.373 10.935 -16.356 -5.43 8 578 14 1355 1585 Inactive Inactive 270 1A3K ARG 224 T -10.961 11.651 -15.576 -5.307 8 513 7 1323 1559 Inactive Inactive 271 1A3K VAL 225 T -9.104 10.858 -12.224 -4.706 5 401 4 1288 1463 Inactive Inactive 272 1A3K LYS 226 T -8.597 9.046 -13.175 -4.88 5 348 4 1268 1390 Inactive Inactive 273 1A3K LYS 227 T -8.519 9.367 -13.131 -4.897 5 276 3 1240 1336 Inactive Inactive 274 1A3K LEU 228 G -8.517 9.383 -13.124 -4.892 5 216 9 1224 1316 Inactive Inactive 275 1A3K ASN 229 G -8.464 9.447 -13.164 -4.898 5 166 33 1205 1312 Inactive Inactive 276 1A3K GLU 230 G -8.69 8.839 -13.69 -5.003 6 123 37 1191 1353 Inactive Inactive 277 1A3K ILE 231 C -9.315 11.26 -13.313 -4.968 6 68 39 1169 1334 Inactive Inactive 278 1A3K SER 232 C -9.665 11.04 -13.709 -4.903 6 48 41 1151 1288 Inactive Inactive 279 1A3K LYS 233 E -9.683 11.026 -13.702 -4.914 6 35 99 1099 1274 Inactive Inactive 280 1A3K LEU 234 E -9.964 12.554 -13.3 -4.759 7 43 181 1034 1273 Inactive Inactive 281 1A3K GLY 235 E -9.518 11.024 -13.605 -4.892 6 58 215 974 1291 Inactive Inactive 282 1A3K ILE 236 E -9.116 12.467 -12.257 -4.848 7 57 215 939 1337 Inactive Inactive 283 1A3K SER 237 E -9.047 12.265 -12.482 -4.914 7 63 215 912 1401 Inactive Inactive 284 1A3K GLY 238 E -8.773 12.711 -12.206 -5.023 7 - - - - - - 285 1A3K ASP 239 T -8.665 12.983 -11.958 -5.007 7 - - - - - - 286 1A3K ILE 240 E -8.416 13.208 -11.112 -4.76 7 - - - - - - 287 1A3K ASP 241 E -8.213 12.434 -10.994 -4.593 4 - - - - - - 288 1A3K LEU 242 E -8.074 12.133 -10.827 -4.396 4 - - - - - - 289 1A3K THR 243 E -8.146 11.973 -10.709 -4.295 4 - - - - - - 290 1A3K SER 244 E -8.202 11.808 -10.659 -4.242 4 - - - - - - 291 1A3K ALA 245 E -8.299 11.983 -10.778 -4.342 4 - - - - - - 292 1A3K SER 246 E -7.845 12.248 -9.91 -4.428 4 - - - - - - 293 1A3K TYR 247 E -5.697 11.683 -6.116 -3.771 4 - - - - - - 294 1A3K THR 248 E -5.697 11.683 -6.116 -3.771 4 - - - - - - 295 1A3K MET 249 E -5.697 11.683 -6.116 -3.771 4 - - - - - - 296 1A3K ILE 250 C -5.697 11.683 -6.116 -3.771 4 - - - - - - 297 1AD6 VAL 378 C 1.194 0.859 -2.65 -3.187 1 - - - - - - 298 1AD6 MET 379 C 1.194 0.859 -2.65 -3.187 1 - - - - - - 299 1AD6 ASN 380 C 1.194 0.859 -2.65 -3.187 1 - - - - - - 300 1AD6 THR 381 C 1.194 0.859 -2.65 -3.187 1 - - - - - - 301 1AD6 ILE 382 C 0.211 1.482 -0.477 -1.476 1 - - - - - - 302 1AD6 GLN 383 C -2.555 2.5 -4.291 -2.162 1 - - - - - - 303 1AD6 GLN 384 H -3.991 3.411 -6.696 -3.125 1 - - - - - - 304 1AD6 LEU 385 H -6.33 7.84 -8.652 -4.119 2 - - - - - - 305 1AD6 MET 386 H -8.701 10.504 -12.385 -5.496 5 - - - - - - 306 1AD6 MET 387 H -9.68 10.202 -14.406 -5.747 6 - - - - - - 307 1AD6 ILE 388 H -9.968 9.413 -14.057 -4.578 6 - - - - - - 308 1AD6 LEU 389 H -10.01 9.068 -13.82 -4.276 5 - - - - - - 309 1AD6 ASN 390 H -9.996 8.825 -13.854 -4.184 5 873 385 306 62 Permissive Inactive 310 1AD6 SER 391 H -9.517 6.136 -12.759 -2.74 5 878 457 241 33 Selective Inactive 311 1AD6 ALA 392 C -8.539 7.151 -11.649 -3.362 5 958 703 203 15 Selective Inactive 312 1AD6 SER 393 C -8.465 7.166 -11.879 -3.506 5 974 848 178 6 Selective Inactive 313 1AD6 ASP 394 C -8.431 7.16 -11.876 -3.446 5 984 950 177 2 Selective Inactive 314 1AD6 GLN 395 C -8.348 7.119 -11.736 -3.288 5 983 1126 184 2 Selective Inactive 315 1AD6 PRO 396 C -8.38 7.43 -11.692 -3.394 5 916 1259 196 3 Selective Inactive 316 1AD6 SER 397 C -8.908 7.49 -12.3 -3.277 5 904 1253 230 3 Selective Inactive 317 1AD6 GLU 398 H -9.073 7.564 -11.899 -2.858 5 910 1240 262 4 Selective Inactive 318 1AD6 ASN 399 H -9.186 7.665 -11.892 -2.944 5 941 1398 294 4 Selective Inactive 319 1AD6 LEU 400 H -9.657 8.717 -13.12 -3.801 5 1031 1572 327 5 Selective Inactive 320 1AD6 ILE 401 H -9.803 8.522 -13.854 -4.299 5 1094 1705 363 7 Selective Inactive 321 1AD6 SER 402 H -10.23 9.302 -13.839 -4.632 6 1166 1854 391 9 Selective Inactive 322 1AD6 TYR 403 H -14.686 15.113 -18.016 -5.17 8 1303 1996 414 10 Selective Inactive 323 1AD6 PHE 404 H -11.349 10.481 -12.621 -3.118 7 1347 2038 411 10 Selective Inactive 324 1AD6 ASN 405 H -8.761 3.952 -11.728 -2.469 5 1251 1888 389 10 Selective Inactive 325 1AD6 ASN 406 H -8.638 4.041 -11.904 -2.493 5 1201 1775 367 10 Selective Inactive 326 1AD6 CYS 407 T -8.31 4.587 -12.526 -3.121 5 1134 1690 335 10 Selective Inactive 327 1AD6 THR 408 T -7.859 6.987 -12.058 -4.04 5 1037 1511 302 8 Selective Inactive 328 1AD6 VAL 409 T -7.805 7.109 -11.87 -3.892 5 925 1371 272 7 Selective Inactive 329 1AD6 ASN 410 T -7.924 7.911 -11.885 -4.2 5 853 1345 230 7 Selective Inactive 330 1AD6 PRO 411 H -7.94 8.184 -11.749 -4.216 5 770 1317 197 6 Selective Inactive 331 1AD6 LYS 412 H -8.063 9.016 -11.329 -4.256 5 684 1130 163 6 Selective Inactive 332 1AD6 GLU 413 H -8.819 8.727 -10.738 -2.666 5 541 883 133 5 Gatekeeper Inactive 333 1AD6 SER 414 H -9.22 8.989 -11.498 -2.977 5 445 703 116 4 Gatekeeper Inactive 334 1AD6 ILE 415 H -9.331 9.114 -11.655 -3.169 5 338 507 122 4 Gatekeeper Inactive 335 1AD6 LEU 416 H -9.55 8.581 -12.921 -3.859 5 176 296 143 9 Inactive Inactive 336 1AD6 LYS 417 H -10.126 8.224 -13.803 -4.249 5 110 182 190 22 Inactive Inactive 337 1AD6 ARG 418 H -13.19 9.521 -17.545 -4.067 6 88 106 247 38 Inactive Inactive 338 1AD6 VAL 419 H -11.061 10.078 -11.378 -2.204 5 82 74 302 53 Inactive Inactive 339 1AD6 LYS 420 H -10.345 9.24 -11.094 -2.165 5 79 60 370 87 Inactive Inactive 340 1AD6 ASP 421 H -10.276 9.29 -11.148 -2.145 5 79 64 445 127 Inactive Inactive 341 1AD6 ILE 422 H -10.257 9.515 -11.164 -2.202 5 84 72 540 172 Inactive Inactive 342 1AD6 GLY 423 H -10.224 9.806 -11.299 -2.36 5 91 156 642 239 Inactive Inactive 343 1AD6 TYR 424 H -10.373 9.804 -11.334 -2.428 5 123 255 761 327 Inactive Permissive 344 1AD6 ILE 425 H -11.125 12.498 -12.262 -3.155 7 161 355 888 420 Inactive Permissive 345 1AD6 PHE 426 H -11.489 14.949 -12.817 -4.16 7 180 554 1026 510 Gatekeeper Permissive 346 1AD6 LYS 427 H -11.154 14.125 -12.873 -4.262 7 188 585 1137 586 Gatekeeper Permissive 347 1AD6 GLU 428 H -9.379 12.246 -11.172 -4.466 7 187 619 1226 629 Gatekeeper Permissive 348 1AD6 LYS 429 H -9.335 12.212 -11.083 -4.293 4 203 670 1286 673 Gatekeeper Permissive 349 1AD6 PHE 430 H -9.308 12.161 -11.046 -4.18 4 228 785 1321 720 Gatekeeper Permissive 350 1AD6 ALA 431 H -8.138 6.236 -8.882 -1.544 2 234 894 1366 741 Gatekeeper Permissive 351 1AD6 LYS 432 H -7.152 4.015 -10.806 -2.823 1 234 948 1402 777 Gatekeeper Selective 352 1AD6 ALA 433 H -5.584 4.588 -9.7 -3.967 2 261 1037 1417 818 Gatekeeper Selective 353 1AD6 VAL 434 H -5.349 4.138 -9.146 -3.298 2 354 1108 1451 896 Gatekeeper Selective 354 1AD6 GLY 435 C -5.167 3.399 -8.936 -2.857 1 440 1174 1495 1000 Gatekeeper Selective 355 1AD6 GLN 436 C -5.146 3.319 -8.958 -2.814 1 477 1116 1511 1118 Gatekeeper Selective 356 1AD6 GLY 437 C -5.135 3.345 -9.003 -2.844 1 473 1016 1524 1235 Gatekeeper Selective 357 1AD6 CYS 438 H -5.449 2.522 -8.646 -2.018 1 451 920 1504 1354 Gatekeeper Selective 358 1AD6 VAL 439 H -5.738 2.091 -9.054 -2.077 1 439 720 1472 1559 Gatekeeper Selective 359 1AD6 GLU 440 H -6.438 3.786 -10.644 -3.088 1 433 681 1453 1846 Gatekeeper Selective 360 1AD6 ILE 441 H -6.702 4.965 -11.332 -3.957 3 435 672 1454 2253 Gatekeeper Selective 361 1AD6 GLY 442 H -7.305 6.686 -11.368 -4.458 3 534 786 1461 2721 Gatekeeper Selective 362 1AD6 SER 443 H -9.208 6.301 -10.847 -2.09 5 823 813 1491 3241 Selective Selective 363 1AD6 GLN 444 H -12.09 7.349 -16.058 -3.564 6 990 860 1519 3980 Selective Selective 364 1AD6 ARG 445 H -15.135 10.845 -17.615 -3.318 8 1176 936 1554 4824 Selective Selective 365 1AD6 TYR 446 H -14.322 14.744 -13.217 -2.516 7 1275 919 1584 5695 Selective Selective 366 1AD6 LYS 447 H -14.297 14.649 -13.478 -2.597 7 1392 924 1613 6629 Selective Selective 367 1AD6 LEU 448 H -14.088 15.236 -14.332 -3.32 7 1553 948 1626 7649 Selective Selective 368 1AD6 GLY 449 H -14.079 15.27 -14.347 -3.313 7 1756 1012 1663 8754 Selective Selective 369 1AD6 VAL 450 H -14.079 15.267 -14.342 -3.312 7 2192 1036 1692 9835 Selective Selective 370 1AD6 ARG 451 H -14.717 16.291 -16.651 -4.899 8 2748 1040 1778 10884 Selective Selective 371 1AD6 LEU 452 H -14.756 16.754 -16.344 -4.915 8 3181 1042 1850 11626 Selective Selective 372 1AD6 TYR 453 H -16.245 18.845 -15.936 -3.638 8 3653 1041 1913 12081 Selective Selective 373 1AD6 TYR 454 H -16.597 20.267 -16.873 -4.491 8 3864 1009 1936 12327 Selective Selective 374 1AD6 ARG 455 H -15.803 14.898 -16.973 -3.457 8 3873 841 1979 12401 Selective Selective 375 1AD6 VAL 456 H -15.224 15.16 -15.992 -3.358 8 3624 698 2007 12269 Selective Selective 376 1AD6 MET 457 H -14.55 15.696 -16.997 -4.887 8 3554 521 2005 11806 Selective Selective 377 1AD6 GLU 458 H -14.129 15.158 -17.721 -5.499 8 3430 386 1992 11112 Permissive Selective 378 1AD6 SER 459 H -13.709 13.628 -16.363 -4.205 8 3330 309 1963 10278 Permissive Selective 379 1AD6 MET 460 H -13.491 13.374 -15.772 -3.809 8 3142 228 1892 9266 Permissive Selective 380 1AD6 LEU 461 H -13.477 13.266 -15.851 -3.804 8 2910 130 1814 8121 Permissive Selective 381 1AD6 LYS 462 H -12.34 7.501 -17.848 -4.488 6 2691 40 1717 6847 Permissive Selective 382 1AD6 SER 463 H -10.595 7.305 -15.639 -4.709 6 2249 13 1631 5570 Permissive Selective 383 1AD6 GLU 464 H -9.806 7.408 -12.652 -3.047 5 1686 5 1517 4321 Permissive Selective 384 1AD6 GLU 465 H -9.017 5.692 -11.013 -1.926 5 1257 4 1427 3308 Permissive Selective 385 1AD6 GLU 466 H -8.107 4.815 -8.956 -0.98 1 777 4 1350 2511 Permissive Selective 386 1AD6 ARG 467 H -8.055 4.928 -9.274 -1.162 1 559 4 1283 1828 Inactive Selective 387 1AD6 LEU 468 H -7.987 5.272 -9.667 -1.529 2 447 5 1202 1256 Inactive Selective 388 1AD6 SER 469 C -8.006 5.206 -9.603 -1.498 2 382 7 1126 831 Inactive Selective 389 1AD6 ILE 470 C -8.091 5.226 -9.477 -1.494 2 289 13 1054 534 Inactive Permissive 390 1AD6 GLN 471 C -8.948 7.343 -13 -4.005 5 242 19 1001 358 Inactive Permissive 391 1AD6 ASN 472 C -9.211 8.212 -13.155 -4.525 5 239 24 995 287 Inactive Permissive 392 1AD6 PHE 473 C -10.176 14.239 -11.5 -4.414 7 250 32 1006 323 Inactive Permissive 393 1AD6 SER 474 H -10.129 13.954 -11.463 -4.257 7 234 33 1024 369 Inactive Permissive 394 1AD6 LYS 475 H -9.79 12.003 -10.767 -3.196 4 230 43 1057 440 Inactive Permissive 395 1AD6 LEU 476 H -9.787 11.996 -10.779 -3.191 4 247 65 1058 515 Inactive Permissive 396 1AD6 LEU 477 H -9.793 11.682 -10.957 -3.203 4 279 86 1045 602 Inactive Permissive 397 1AD6 ASN 478 H -9.958 9.652 -11.715 -2.845 5 369 128 1025 695 Inactive Permissive 398 1AD6 ASP 479 C -10.011 9.576 -11.775 -2.903 5 426 143 994 835 Inactive Selective 399 1AD6 ASN 480 H -10.604 9.76 -15.052 -4.77 6 451 147 977 1044 Inactive Selective 400 1AD6 ILE 481 H -10.622 9.731 -15.111 -4.839 6 531 151 951 1272 Inactive Selective 401 1AD6 PHE 482 H -10.915 10.872 -14.898 -5.188 6 610 153 923 1512 Inactive Selective 402 1AD6 HIS 483 H -12.18 12.256 -13.061 -3.141 7 607 147 893 1777 Inactive Selective 403 1AD6 MET 484 H -13.348 15.437 -13.585 -3.325 7 591 141 858 2033 Inactive Selective 404 1AD6 SER 485 H -13.23 15.683 -12.188 -2.537 7 566 136 803 2273 Inactive Selective 405 1AD6 LEU 486 H -12.214 15.051 -9.616 -1.602 7 539 129 751 2478 Inactive Selective 406 1AD6 LEU 487 H -11.275 14.666 -10.698 -2.954 7 524 127 692 2620 Inactive Gatekeeper 407 1AD6 ALA 488 H -11.216 14.577 -11.065 -3.122 7 506 116 639 2694 Inactive Gatekeeper 408 1AD6 CYS 489 H -11.207 14.545 -11.092 -3.109 7 480 94 607 2766 Inactive Gatekeeper 409 1AD6 ALA 490 H -11.201 14.54 -11.075 -3.087 7 452 73 599 2821 Inactive Gatekeeper 410 1AD6 LEU 491 H -11.293 14.482 -11.431 -3.374 7 378 30 583 2833 Inactive Gatekeeper 411 1AD6 GLU 492 H -12.224 14.075 -13.653 -3.741 7 363 15 595 2791 Inactive Gatekeeper 412 1AD6 VAL 493 H -11.596 15.552 -12.526 -4.442 7 452 11 626 2658 Inactive Gatekeeper 413 1AD6 VAL 494 H -11.609 15.631 -12.548 -4.51 7 403 6 673 2488 Inactive Gatekeeper 414 1AD6 MET 495 H -11.639 15.68 -12.684 -4.682 7 352 2 733 2288 Inactive Selective 415 1AD6 ALA 496 H -11.541 14.992 -12.661 -4.331 7 384 3 810 2046 Inactive Selective 416 1AD6 THR 497 H -11.473 14.285 -13.093 -4.323 7 444 19 866 1781 Inactive Selective 417 1AD6 TYR 498 T -11.476 11.068 -14.855 -4.368 7 584 50 896 1507 Inactive Selective 418 1AD6 SER 499 T -11.042 9.102 -13.953 -3.23 5 747 147 907 1230 Permissive Selective 419 1AD6 ARG 500 T -9.778 6.231 -11.047 -1.577 5 797 170 907 1023 Permissive Selective 420 1AD6 SER 501 T -7.764 4.029 -9.18 -1.499 1 810 196 913 866 Permissive Selective 421 1AD6 THR 502 C -6.608 4.297 -10.435 -3.276 1 821 228 916 720 Permissive Permissive 422 1AD6 SER 503 T -6.081 4.247 -11.034 -4.018 2 819 364 907 581 Permissive Permissive 423 1AD6 GLN 504 T -6.079 4.252 -11.04 -4.014 2 824 511 907 479 Selective Permissive 424 1AD6 ASN 505 T -6.079 4.25 -11.042 -4.017 2 845 789 885 391 Selective Permissive 425 1AD6 LEU 506 T -6.114 4.268 -11.157 -4.168 3 845 1161 850 336 Selective Permissive 426 1AD6 ASP 507 T -6.388 4.227 -11.467 -4.522 3 918 1485 801 289 Selective Permissive 427 1AD6 SER 508 T -8.879 7.11 -13.063 -3.851 5 960 1768 742 257 Selective Permissive 428 1AD6 GLY 509 T -9.042 9.045 -12.563 -4.032 5 1012 2018 679 251 Selective Inactive 429 1AD6 THR 510 C -9.102 9.414 -12.467 -4.148 5 962 2040 643 274 Selective Inactive 430 1AD6 ASP 511 C -9.103 9.427 -12.456 -4.149 5 842 2042 624 320 Selective Inactive 431 1AD6 LEU 512 C -9.189 9.868 -11.994 -4.08 5 683 1980 631 395 Selective Inactive 432 1AD6 SER 513 C -9.691 9.805 -10.313 -2.656 4 651 1996 643 493 Selective Inactive 433 1AD6 PHE 514 C -11.985 15.171 -11.148 -2.824 7 704 2116 642 596 Selective Inactive 434 1AD6 PRO 515 H -11.487 15.599 -8.628 -1.791 7 686 2111 648 682 Selective Inactive 435 1AD6 TRP 516 H -11.429 15.962 -8.357 -1.713 7 735 2010 643 760 Selective Inactive 436 1AD6 ILE 517 H -11.007 16.232 -9.236 -2.583 7 812 1911 630 833 Selective Gatekeeper 437 1AD6 LEU 518 H -8.661 13.401 -9.276 -4.273 4 773 1647 618 889 Selective Gatekeeper 438 1AD6 ASN 519 H -8.525 13.199 -8.961 -3.811 4 681 1283 595 950 Selective Gatekeeper 439 1AD6 VAL 520 H -8.459 13.045 -8.806 -3.567 4 653 976 583 1018 Selective Gatekeeper 440 1AD6 LEU 521 H -8.209 11.932 -8.28 -2.827 4 604 698 572 1086 Gatekeeper Gatekeeper 441 1AD6 ASN 522 C -7.89 11.279 -8.859 -3.145 4 545 460 574 1136 Gatekeeper Gatekeeper 442 1AD6 LEU 523 C -8.039 10.64 -8.871 -2.836 4 575 442 568 1199 Gatekeeper Gatekeeper 443 1AD6 LYS 524 C -8.095 10.465 -8.984 -2.916 4 632 434 573 1233 Gatekeeper Gatekeeper 444 1AD6 ALA 525 H -8.132 10.373 -9.078 -3.007 4 682 420 560 1214 Selective Gatekeeper 445 1AD6 PHE 526 H -8.346 10.609 -9.861 -3.698 4 741 444 552 1153 Selective Gatekeeper 446 1AD6 ASP 527 H -9.738 12.595 -11.637 -4.716 7 684 302 547 1073 Permissive Gatekeeper 447 1AD6 PHE 528 H -11.699 18.465 -11.419 -4.495 7 759 331 521 996 Permissive Gatekeeper 448 1AD6 TYR 529 H -11.165 16.678 -10.328 -3.594 7 742 321 500 911 Permissive Gatekeeper 449 1AD6 LYS 530 H -10.273 12.35 -9.634 -2.357 4 647 275 478 813 Inactive Gatekeeper 450 1AD6 VAL 531 H -10.263 12.388 -9.636 -2.347 4 647 263 452 727 Inactive Inactive 451 1AD6 ILE 532 H -10.239 12.518 -9.72 -2.406 4 628 259 428 631 Inactive Inactive 452 1AD6 GLU 533 H -10.043 12.456 -10.465 -2.968 4 554 245 406 532 Inactive Inactive 453 1AD6 SER 534 H -10.101 12.138 -10.548 -2.961 4 555 245 388 433 Inactive Inactive 454 1AD6 PHE 535 H -10.613 13.568 -12.092 -4.275 7 565 240 351 350 Inactive Inactive 455 1AD6 ILE 536 H -9.608 8.812 -10.762 -2.559 5 526 220 311 248 Inactive Inactive 456 1AD6 LYS 537 H -9.525 8.272 -11.6 -2.872 5 463 195 271 161 Inactive Inactive 457 1AD6 ALA 538 H -9.342 8.615 -12.421 -3.697 5 409 173 258 101 Inactive Inactive 458 1AD6 GLU 539 T -9.275 8.758 -12.521 -3.749 5 339 110 264 62 Inactive Inactive 459 1AD6 GLY 540 T -9.107 8.993 -12.291 -3.658 5 327 106 291 46 Inactive Inactive 460 1AD6 ASN 541 T -9.315 9.658 -13.125 -4.307 5 250 49 337 76 Inactive Inactive 461 1AD6 LEU 542 T -9.219 10.239 -12.623 -4.204 5 258 24 400 190 Inactive Inactive 462 1AD6 THR 543 C -8.951 10.276 -12.112 -4.232 5 336 22 457 370 Inactive Inactive 463 1AD6 ARG 544 H -8.967 10.216 -12.031 -4.165 5 657 20 523 570 Permissive Inactive 464 1AD6 GLU 545 H -9.093 10.336 -12.143 -4.349 5 770 16 603 775 Permissive Gatekeeper 465 1AD6 MET 546 H -9.128 10.368 -12.195 -4.46 5 1004 13 685 1028 Permissive Gatekeeper 466 1AD6 ILE 547 H -9.261 10.286 -12.174 -4.558 5 1178 8 772 1337 Permissive Selective 467 1AD6 LYS 548 H -10.855 8.557 -12.196 -2.302 5 1374 0 878 1706 Permissive Selective 468 1AD6 HIS 549 H -12.217 10.631 -13.739 -2.982 7 1590 0 986 2173 Permissive Selective 469 1AD6 LEU 550 H -13.365 12.484 -17.282 -4.762 8 - - - - - - 470 1AD6 GLU 551 H -13.105 11.275 -16.779 -4.16 8 - - - - - - 471 1AD6 ARG 552 H -13.123 10.133 -17.218 -4.003 8 - - - - - - 472 1AD6 CYS 553 H -13.042 10.957 -17.018 -4.219 8 - - - - - - 473 1AD6 GLU 554 H -12.835 12.139 -16.571 -4.46 8 - - - - - - 474 1AD6 HIS 555 H -11.28 12.319 -12.807 -4.024 7 - - - - - - 475 1AD6 ARG 556 H -9.869 12.292 -9.687 -3.064 4 - - - - - - 476 1AD6 ILE 557 H -7.427 10.045 -9.181 -3.994 4 - - - - - - 477 1AD6 MET 558 H -5.909 7.957 -8.613 -4.177 2 - - - - - - 478 1AD6 GLU 559 H -5.51 6.733 -7.044 -2.573 1 - - - - - - 479 1AD6 SER 560 H -5.51 6.733 -7.044 -2.573 1 - - - - - - 480 1AD6 LEU 561 C -5.51 6.733 -7.044 -2.573 1 - - - - - - 481 1AD6 ALA 562 C -5.51 6.733 -7.044 -2.573 1 - - - - - - 482 1ALY GLY 116 T -2.433 0.795 -8.343 -4.015 2 - - - - - - 483 1ALY ASP 117 T -2.433 0.795 -8.343 -4.015 2 - - - - - - 484 1ALY GLN 118 T -2.433 0.795 -8.343 -4.015 2 - - - - - - 485 1ALY ASN 119 T -2.433 0.795 -8.343 -4.015 2 - - - - - - 486 1ALY PRO 120 T -3.11 0.942 -9.322 -4.46 2 - - - - - - 487 1ALY GLN 121 T -4.862 2.014 -12.489 -5.538 3 - - - - - - 488 1ALY ILE 122 C -6.028 5.293 -13.199 -6.366 3 - - - - - - 489 1ALY ALA 123 E -7.615 7.374 -14.915 -6.824 6 - - - - - - 490 1ALY ALA 124 E -8.772 10.04 -12.48 -4.714 5 - - - - - - 491 1ALY HIS 125 E -10.559 13.288 -12.802 -4.187 7 - - - - - - 492 1ALY VAL 126 E -10.478 13.181 -13.105 -4.403 7 - - - - - - 493 1ALY ILE 127 E -10.392 11.875 -14.949 -5.298 6 - - - - - - 494 1ALY SER 128 E -9.366 8.552 -14.713 -5.281 6 519 466 1437 1153 Inactive Selective 495 1ALY GLU 129 C -6.175 5.604 -10.558 -4.438 3 477 194 1449 1250 Inactive Selective 496 1ALY ALA 130 C -2.906 3.944 -6.3 -3.672 1 474 108 1475 1323 Inactive Selective 497 1ALY SER 131 C -2.154 4.94 -5.51 -3.837 1 474 60 1493 1376 Inactive Selective 498 1ALY SER 132 C -2.102 4.993 -5.63 -3.857 1 491 22 1492 1397 Inactive Selective 499 1ALY LYS 133 C -2.099 5.005 -5.643 -3.859 1 438 4 1481 1389 Inactive Selective 500 1ALY THR 134 C -2.1 5.004 -5.637 -3.859 1 398 4 1467 1377 Inactive Selective 501 1ALY THR 135 C -2.284 5.311 -5.322 -3.869 1 331 4 1440 1365 Inactive Selective 502 1ALY SER 136 C -3.567 5.425 -6.73 -3.897 1 294 7 1394 1375 Inactive Selective 503 1ALY VAL 137 B -5.319 7.34 -8.104 -4.092 2 276 10 1350 1369 Inactive Selective 504 1ALY LEU 138 C -8.043 11.112 -9.578 -4.06 4 267 12 1307 1352 Inactive Selective 505 1ALY GLN 139 C -11.358 13.567 -16.344 -6.462 8 247 23 1277 1351 Inactive Selective 506 1ALY TRP 140 E -9.101 14.368 -10.986 -5.386 7 242 26 1264 1287 Inactive Selective 507 1ALY ALA 141 E -6.368 8.855 -9.897 -4.985 3 203 30 1213 1184 Inactive Selective 508 1ALY GLU 142 C -5.489 10.393 -8.495 -5.162 4 223 34 1145 1073 Inactive Selective 509 1ALY LYS 143 T -5.206 10.378 -8.342 -5.057 4 227 38 1048 970 Inactive Gatekeeper 510 1ALY GLY 144 T -5.14 10.479 -8.366 -5.047 4 223 43 962 885 Inactive Gatekeeper 511 1ALY TYR 145 T -5.141 10.474 -8.364 -5.047 4 282 58 905 795 Inactive Gatekeeper 512 1ALY TYR 146 T -5.22 10.713 -8.147 -5.056 4 322 70 869 714 Inactive Inactive 513 1ALY THR 147 E -5.62 10.585 -8.208 -4.904 4 388 80 831 647 Inactive Inactive 514 1ALY MET 148 E -6.47 11.33 -8.592 -4.964 4 475 118 801 587 Inactive Inactive 515 1ALY SER 149 C -9.289 10.476 -13.799 -5.12 6 529 133 784 524 Inactive Inactive 516 1ALY ASN 150 T -8.996 9.321 -13.709 -4.978 6 562 139 780 478 Inactive Inactive 517 1ALY ASN 151 T -8.879 9.906 -13.414 -4.934 5 586 142 790 419 Inactive Inactive 518 1ALY LEU 152 T -8.879 9.997 -13.35 -4.921 5 603 136 817 400 Permissive Inactive 519 1ALY VAL 153 E -8.637 10.306 -12.891 -4.923 5 607 134 858 463 Permissive Inactive 520 1ALY THR 154 E -5.904 8.822 -9.759 -5.397 3 598 131 923 580 Permissive Inactive 521 1ALY LEU 155 E -5.887 8.828 -9.849 -5.415 3 579 132 995 698 Inactive Inactive 522 1ALY GLU 156 E -5.877 8.81 -9.924 -5.431 3 580 137 1060 817 Inactive Gatekeeper 523 1ALY ASN 157 T -5.876 8.816 -9.931 -5.432 3 578 147 1132 987 Inactive Selective 524 1ALY GLY 158 T -5.879 8.809 -9.921 -5.434 3 511 149 1191 1183 Inactive Selective 525 1ALY LYS 159 T -7.653 8.817 -13.505 -6.057 6 481 147 1241 1392 Inactive Selective 526 1ALY GLN 160 E -8.247 8.456 -14.489 -6.334 6 516 249 1321 1672 Inactive Selective 527 1ALY LEU 161 E -9.538 11.883 -13.686 -5.951 6 547 334 1420 2065 Inactive Selective 528 1ALY THR 162 E -11.126 14.013 -14.349 -5.126 7 578 424 1540 2557 Inactive Selective 529 1ALY VAL 163 E -10.572 11.359 -14.413 -4.872 6 609 539 1651 3115 Permissive Selective 530 1ALY LYS 164 C -9.864 10.618 -14.159 -5.1 6 715 666 1747 3784 Permissive Selective 531 1ALY ARG 165 C -9.848 10.712 -14.167 -5.108 6 822 845 1810 4512 Permissive Selective 532 1ALY GLN 166 C -9.875 10.512 -14.233 -5.133 6 886 1058 1869 5287 Permissive Selective 533 1ALY GLY 167 E -9.893 10.534 -14.185 -5.139 6 954 1266 1920 6156 Permissive Selective 534 1ALY LEU 168 E -10.041 10.612 -14.064 -5.206 6 1219 1651 1957 7033 Permissive Selective 535 1ALY TYR 169 E -11.716 15.376 -14.235 -5.271 8 1485 1989 2016 7967 Selective Selective 536 1ALY TYR 170 E -12.448 17.941 -13.329 -5.023 7 1625 2125 2072 8694 Selective Selective 537 1ALY ILE 171 E -12.556 18.4 -12.753 -4.876 7 1650 2153 2122 9303 Selective Selective 538 1ALY TYR 172 E -14.106 17.702 -16.134 -4.956 8 1681 2167 2177 9794 Selective Selective 539 1ALY ALA 173 E -13.609 16.48 -15.915 -4.973 8 1664 2060 2199 10020 Selective Selective 540 1ALY GLN 174 E -13.401 15.898 -16.373 -5.181 8 1673 1957 2197 9982 Selective Selective 541 1ALY VAL 175 E -12.773 15.275 -16.012 -5.386 8 1743 1868 2156 9675 Selective Selective 542 1ALY THR 176 E -12.727 14.978 -16.341 -5.489 8 1806 1919 2100 9185 Selective Selective 543 1ALY PHE 177 E -12.751 14.956 -16.317 -5.507 8 1823 2009 2018 8526 Selective Selective 544 1ALY CYS 178 E -12.838 14.686 -16.515 -5.604 8 1933 2153 1944 7768 Selective Selective 545 1ALY SER 179 E -12.375 11.272 -17.711 -5.58 8 2050 2154 1839 6905 Selective Selective 546 1ALY ASN 180 T -11.698 8.7 -18.094 -5.643 6 2080 2083 1711 5902 Selective Selective 547 1ALY ARG 181 T -11.008 8.446 -17.287 -5.492 6 1910 1769 1603 4894 Selective Selective 548 1ALY GLU 182 T -9.045 6.392 -14.805 -5.094 6 1672 1499 1502 3833 Permissive Selective 549 1ALY ALA 183 T -8.153 5.632 -13.841 -4.707 5 1565 1457 1391 2937 Permissive Selective 550 1ALY SER 184 T -7.938 5.764 -13.772 -4.662 5 1530 1473 1306 2143 Permissive Selective 551 1ALY SER 185 T -7.855 6.456 -13.474 -4.641 5 1509 1478 1247 1466 Permissive Selective 552 1ALY GLN 186 T -7.828 6.771 -13.349 -4.63 5 1444 1636 1199 984 Permissive Selective 553 1ALY ALA 187 T -7.897 6.947 -13.118 -4.555 5 1408 2236 1175 662 Selective Permissive 554 1ALY PRO 188 E -8.313 8.53 -12.658 -4.513 5 1275 2543 1170 530 Selective Permissive 555 1ALY PHE 189 E -8.817 11.843 -11.37 -4.447 5 1175 2548 1171 512 Selective Permissive 556 1ALY ILE 190 E -9.47 13.562 -11.023 -4.317 7 1029 2369 1198 576 Selective Permissive 557 1ALY ALA 191 E -10.282 14.38 -11.009 -3.901 7 783 2083 1227 636 Selective Permissive 558 1ALY SER 192 E -11.348 14.939 -13.353 -4.53 7 598 1935 1277 701 Selective Permissive 559 1ALY LEU 193 E -11.647 14.489 -14.056 -4.715 7 495 1916 1333 748 Gatekeeper Permissive 560 1ALY CYS 194 E -11.678 14.048 -14.425 -4.824 7 421 2058 1360 776 Gatekeeper Selective 561 1ALY LEU 195 E -10.141 9.355 -15.238 -5.38 6 406 2231 1351 792 Gatekeeper Selective 562 1ALY LYS 196 E -8.82 6.631 -14.639 -5.106 6 417 2398 1349 797 Gatekeeper Selective 563 1ALY SER 197 T -6.464 5.432 -11.335 -4.639 3 462 2635 1340 801 Gatekeeper Selective 564 1ALY PRO 198 T -4.727 5.941 -8.698 -4.48 2 506 2877 1319 787 Gatekeeper Selective 565 1ALY GLY 199 T -4.707 5.952 -8.78 -4.484 2 536 2793 1283 770 Gatekeeper Permissive 566 1ALY ARG 200 T -4.704 5.964 -8.792 -4.484 2 563 2237 1216 742 Gatekeeper Permissive 567 1ALY PHE 201 C -4.686 6.152 -8.763 -4.483 2 610 1957 1147 700 Selective Permissive 568 1ALY GLU 202 C -4.715 6.194 -8.635 -4.475 2 634 1792 1078 650 Selective Inactive 569 1ALY ARG 203 E -6.249 9.173 -9.666 -4.513 4 696 1789 1032 591 Selective Inactive 570 1ALY ILE 204 E -6.315 12.571 -7.485 -4.127 4 774 1764 999 556 Selective Inactive 571 1ALY LEU 205 E -6.222 13.397 -6.931 -4.046 4 804 1803 966 534 Selective Inactive 572 1ALY LEU 206 E -6.48 14.109 -6.497 -3.804 4 800 1711 949 538 Selective Inactive 573 1ALY ARG 207 E -6.109 11.802 -7.613 -4.017 4 820 1661 964 562 Permissive Inactive 574 1ALY ALA 208 E -6.121 11.742 -7.608 -4.019 4 808 1625 990 595 Permissive Inactive 575 1ALY ALA 209 E -6.321 10.859 -8.263 -4.169 4 775 1553 1002 634 Permissive Inactive 576 1ALY ASN 210 E -6.49 9.402 -8.998 -4.265 4 748 1510 999 661 Permissive Inactive 577 1ALY THR 211 E -6.544 9.178 -9.008 -4.276 4 718 1352 995 687 Permissive Inactive 578 1ALY HIS 212 C -8.349 8.59 -13.25 -4.994 5 714 1376 982 708 Permissive Inactive 579 1ALY SER 213 T -6.355 5.495 -10.725 -4.267 3 687 1481 994 753 Permissive Inactive 580 1ALY SER 214 T -6.09 5.131 -11.085 -4.316 3 646 1566 1014 773 Permissive Gatekeeper 581 1ALY ALA 215 T -5.891 4.758 -11.441 -4.395 3 646 1787 1017 779 Selective Gatekeeper 582 1ALY LYS 216 T -5.876 4.729 -11.528 -4.421 3 633 1956 1010 781 Selective Gatekeeper 583 1ALY PRO 217 C -5.881 4.692 -11.521 -4.416 3 561 2192 992 785 Gatekeeper Gatekeeper 584 1ALY CYS 218 C -6.219 4.156 -12.201 -4.55 3 527 2194 963 766 Gatekeeper Inactive 585 1ALY GLY 219 E -6.571 3.882 -12.583 -4.669 3 523 2199 933 772 Gatekeeper Gatekeeper 586 1ALY GLN 220 E -7.933 4.418 -14.806 -5.352 6 465 2039 894 772 Gatekeeper Gatekeeper 587 1ALY GLN 221 E -9.977 5.1 -17.83 -5.572 6 437 1833 858 761 Gatekeeper Inactive 588 1ALY SER 222 E -8.576 12.291 -10.257 -4.464 4 426 1680 813 725 Inactive Inactive 589 1ALY ILE 223 E -7.559 11.865 -9.387 -4.449 4 405 1622 776 681 Inactive Inactive 590 1ALY HIS 224 E -6.383 11.276 -8.07 -4.37 4 397 1664 725 643 Inactive Inactive 591 1ALY LEU 225 E -6.34 11.438 -8.105 -4.37 4 393 1888 690 601 Gatekeeper Inactive 592 1ALY GLY 226 E -6.169 11.262 -8.413 -4.46 4 348 2091 669 536 Gatekeeper Inactive 593 1ALY GLY 227 E -6.176 11.253 -8.396 -4.461 4 355 2244 663 493 Gatekeeper Inactive 594 1ALY VAL 228 E -6.225 11.211 -8.324 -4.461 4 337 2253 676 475 Gatekeeper Inactive 595 1ALY PHE 229 E -6.865 11.269 -9.222 -4.663 4 312 2274 672 446 Gatekeeper Inactive 596 1ALY GLU 230 E -6.977 10.792 -9.372 -4.726 4 326 2119 677 403 Gatekeeper Inactive 597 1ALY LEU 231 E -9.157 13.024 -11.216 -4.581 7 364 2140 687 370 Gatekeeper Inactive 598 1ALY GLN 232 B -9.985 11.14 -14.214 -4.969 6 509 2667 685 315 Gatekeeper Inactive 599 1ALY PRO 233 T -9.439 10.567 -12.86 -4.381 5 701 3342 675 255 Selective Inactive 600 1ALY GLY 234 T -9.43 10.621 -12.866 -4.385 5 753 3522 667 205 Selective Inactive 601 1ALY ALA 235 B -9.515 10.634 -12.589 -4.259 5 775 3524 673 173 Selective Inactive 602 1ALY SER 236 E -9.642 10.447 -12.374 -4.142 5 778 3362 684 152 Selective Inactive 603 1ALY VAL 237 E -9.683 10.662 -12.064 -4.065 5 786 3255 695 130 Selective Inactive 604 1ALY PHE 238 E -11.317 15.551 -13.15 -4.632 7 761 3006 712 120 Selective Inactive 605 1ALY VAL 239 E -10.989 13.267 -13.815 -4.711 7 713 2679 695 108 Selective Inactive 606 1ALY ASN 240 E -10.598 11.814 -14.422 -4.863 7 703 2615 644 90 Selective Inactive 607 1ALY VAL 241 E -9.312 9.834 -12.797 -4.4 5 673 2488 589 62 Selective Inactive 608 1ALY THR 242 T -9.146 9.393 -13.221 -4.493 5 648 2332 551 40 Selective Inactive 609 1ALY ASP 243 T -8.876 9.519 -12.936 -4.446 5 623 2277 510 31 Selective Inactive 610 1ALY PRO 244 G -8.828 9.553 -12.94 -4.433 5 586 2230 495 38 Gatekeeper Inactive 611 1ALY SER 245 G -8.835 9.534 -12.923 -4.425 5 436 1670 500 59 Inactive Inactive 612 1ALY GLN 246 G -9.117 9.53 -13.223 -4.509 5 239 987 545 96 Inactive Inactive 613 1ALY VAL 247 B -7.352 7.973 -10.843 -4.354 5 190 806 596 144 Inactive Inactive 614 1ALY SER 248 C -5.786 5.149 -10.748 -4.664 3 156 753 660 205 Inactive Inactive 615 1ALY HIS 249 C -4.465 5.257 -9 -4.604 2 - - - - - - 616 1ALY GLY 250 T -3.786 5.767 -8.401 -4.759 2 - - - - - - 617 1ALY THR 251 T -3.782 5.786 -8.413 -4.761 2 - - - - - - 618 1ALY GLY 252 T -3.784 5.781 -8.408 -4.762 2 - - - - - - 619 1ALY PHE 253 T -3.803 5.808 -8.33 -4.764 2 - - - - - - 620 1ALY THR 254 E -4.008 6.026 -8.133 -4.828 2 - - - - - - 621 1ALY SER 255 E -6.806 8.867 -10.406 -4.978 3 - - - - - - 622 1ALY PHE 256 E -11.574 15.078 -14.26 -5.434 8 - - - - - - 623 1ALY GLY 257 E -9.793 14.286 -10.985 -4.682 7 - - - - - - 624 1ALY LEU 258 E -8.681 13.41 -9.179 -3.824 4 - - - - - - 625 1ALY LEU 259 E -8.681 13.41 -9.179 -3.824 4 - - - - - - 626 1ALY LYS 260 E -8.681 13.41 -9.179 -3.824 4 - - - - - - 627 1ALY LEU 261 C -8.681 13.41 -9.179 -3.824 4 - - - - - - 628 1B56 THR 3 C -6.257 7.034 -9.185 -3.651 2 - - - - - - 629 1B56 VAL 4 G -6.257 7.034 -9.185 -3.651 2 - - - - - - 630 1B56 GLN 5 G -6.257 7.034 -9.185 -3.651 2 - - - - - - 631 1B56 GLN 6 G -6.257 7.034 -9.185 -3.651 2 - - - - - - 632 1B56 LEU 7 G -7.974 11.132 -10.259 -4.501 4 - - - - - - 633 1B56 GLU 8 C -10.003 12.93 -13.822 -5.856 8 - - - - - - 634 1B56 GLY 9 E -11.344 13.427 -16.461 -6.884 8 - - - - - - 635 1B56 ARG 10 E -14.01 17.119 -17.554 -5.808 8 - - - - - - 636 1B56 TRP 11 E -12.534 15.564 -14.597 -4.99 8 - - - - - - 637 1B56 ARG 12 E -9.886 10.295 -13.493 -4.784 6 - - - - - - 638 1B56 LEU 13 E -7.977 8.228 -11.948 -4.613 5 - - - - - - 639 1B56 VAL 14 E -6.906 5.814 -12.039 -4.585 3 - - - - - - 640 1B56 ASP 15 E -6.903 5.828 -12.055 -4.589 3 563 143 1722 3411 Selective Selective 641 1B56 SER 16 E -6.903 5.832 -12.06 -4.59 3 574 145 1686 3276 Selective Selective 642 1B56 LYS 17 E -6.906 5.808 -12.056 -4.59 3 615 178 1620 3113 Selective Selective 643 1B56 GLY 18 T -7.007 5.372 -12.089 -4.588 3 596 212 1545 2904 Selective Selective 644 1B56 PHE 19 H -9.783 8.841 -15.577 -5.439 6 591 337 1459 2600 Selective Selective 645 1B56 ASP 20 H -10.433 9.363 -16.452 -5.728 6 646 363 1386 2271 Selective Selective 646 1B56 GLU 21 H -10.791 9.581 -16.45 -5.791 6 682 398 1320 1921 Selective Selective 647 1B56 TYR 22 H -12.533 14.887 -17.152 -6.232 8 712 414 1247 1666 Selective Gatekeeper 648 1B56 MET 23 H -10.048 11.581 -14.319 -5.822 6 632 367 1152 1369 Selective Gatekeeper 649 1B56 LYS 24 H -9.214 10.33 -13.75 -5.397 6 558 345 1078 1147 Selective Inactive 650 1B56 GLU 25 H -7.37 9.079 -11.313 -5.052 3 551 350 1015 1010 Selective Inactive 651 1B56 LEU 26 H -6.365 8.067 -10.221 -4.584 3 543 356 953 886 Selective Inactive 652 1B56 GLY 27 C -4.904 5.331 -9.095 -4.181 2 570 377 858 709 Selective Inactive 653 1B56 VAL 28 C -4.875 5.408 -9.132 -4.168 2 521 370 784 562 Selective Inactive 654 1B56 GLY 29 C -4.871 5.425 -9.147 -4.169 2 523 456 730 444 Selective Inactive 655 1B56 ILE 30 H -4.879 5.38 -9.121 -4.157 2 496 481 690 337 Selective Inactive 656 1B56 ALA 31 H -4.919 5.204 -9.06 -4.133 2 467 477 636 252 Selective Inactive 657 1B56 LEU 32 H -6.583 7.184 -10.148 -3.972 2 388 375 578 182 Selective Inactive 658 1B56 ARG 33 H -7.647 8.179 -11.364 -4.291 5 339 390 538 119 Gatekeeper Inactive 659 1B56 LYS 34 H -8.383 9.335 -12.14 -4.459 5 295 374 500 70 Gatekeeper Inactive 660 1B56 MET 35 H -8.428 9.479 -12.546 -4.782 5 249 392 486 43 Gatekeeper Inactive 661 1B56 GLY 36 H -6.089 7.656 -9.308 -4.217 2 252 473 494 45 Gatekeeper Inactive 662 1B56 ALA 37 H -5.947 7.982 -9.249 -4.16 2 267 494 502 53 Gatekeeper Inactive 663 1B56 MET 38 H -5.941 7.994 -9.275 -4.163 2 287 509 520 67 Gatekeeper Inactive 664 1B56 ALA 39 C -5.945 7.987 -9.253 -4.159 2 375 634 534 90 Selective Inactive 665 1B56 LYS 40 C -5.949 7.973 -9.23 -4.154 2 379 651 555 117 Selective Inactive 666 1B56 PRO 41 C -6.834 9.19 -9.181 -3.976 4 420 696 571 150 Selective Inactive 667 1B56 ASP 42 E -8.638 9.26 -12.206 -4.479 5 451 637 599 227 Selective Inactive 668 1B56 CYS 43 E -10.02 11.098 -14.297 -4.883 6 463 596 638 327 Selective Inactive 669 1B56 ILE 44 E -8.766 11.396 -11.607 -4.752 5 543 583 700 422 Selective Inactive 670 1B56 ILE 45 E -6.363 8.698 -9.917 -4.89 3 576 560 794 581 Selective Inactive 671 1B56 THR 46 E -4.528 5.688 -9.332 -4.946 2 653 519 879 733 Selective Inactive 672 1B56 CYS 47 E -3.982 5.024 -9.499 -5.033 3 727 508 967 909 Selective Inactive 673 1B56 ASP 48 E -3.952 5.148 -9.512 -5.03 3 753 469 1034 1085 Selective Inactive 674 1B56 GLY 49 T -3.952 5.147 -9.512 -5.03 3 748 380 1112 1265 Selective Inactive 675 1B56 LYS 50 T -3.962 5.087 -9.505 -5.032 3 718 342 1175 1434 Selective Gatekeeper 676 1B56 ASN 51 E -4.234 4.815 -9.613 -5.076 3 685 316 1208 1550 Selective Gatekeeper 677 1B56 LEU 52 E -5.737 7.539 -9.753 -4.952 3 583 181 1241 1670 Selective Gatekeeper 678 1B56 THR 53 E -9.076 9.867 -13.517 -5.408 6 534 141 1291 1837 Permissive Selective 679 1B56 ILE 54 E -11.248 14.594 -15.693 -6.009 8 485 96 1339 1981 Permissive Selective 680 1B56 LYS 55 E -10.166 10.293 -15.311 -5.633 6 435 66 1358 2000 Permissive Selective 681 1B56 THR 56 E -9.073 8.58 -14.136 -5.123 6 392 49 1355 1992 Permissive Selective 682 1B56 GLU 57 E -9.024 8.501 -14.314 -5.151 6 307 28 1352 1974 Inactive Selective 683 1B56 SER 58 T -6.69 8.055 -10.588 -4.811 3 271 24 1322 1879 Inactive Selective 684 1B56 THR 59 T -6.653 8.105 -10.688 -4.816 3 184 16 1276 1780 Inactive Selective 685 1B56 LEU 60 T -6.654 8.106 -10.684 -4.815 3 97 1 1233 1639 Inactive Gatekeeper 686 1B56 LYS 61 T -6.662 8.105 -10.639 -4.813 3 67 1 1183 1485 Inactive Gatekeeper 687 1B56 THR 62 E -6.66 8.128 -10.641 -4.815 3 59 2 1124 1310 Inactive Inactive 688 1B56 THR 63 E -8.262 9.272 -12.414 -4.969 5 67 8 1070 1142 Inactive Inactive 689 1B56 GLN 64 E -9.585 12.544 -13.678 -5.638 6 74 16 1061 1043 Inactive Inactive 690 1B56 PHE 65 E -9.727 12.9 -13.317 -5.597 7 80 19 1040 923 Inactive Inactive 691 1B56 SER 66 E -9.613 12.223 -13.636 -5.527 6 79 20 1005 765 Inactive Inactive 692 1B56 CYS 67 E -8.866 9.083 -13.909 -5.357 6 79 21 967 619 Inactive Inactive 693 1B56 THR 68 E -6.921 10.738 -9.895 -5.086 4 92 24 942 559 Inactive Inactive 694 1B56 LEU 69 T -6.917 10.752 -9.911 -5.086 4 93 27 922 507 Inactive Inactive 695 1B56 GLY 70 T -6.842 10.767 -10.132 -5.14 4 113 32 895 479 Inactive Inactive 696 1B56 GLU 71 E -6.843 10.77 -10.125 -5.14 4 120 35 871 459 Inactive Inactive 697 1B56 LYS 72 E -6.861 10.829 -10.015 -5.134 4 130 44 879 496 Inactive Inactive 698 1B56 PHE 73 E -8.069 11.002 -11.86 -5.525 5 153 57 905 608 Inactive Inactive 699 1B56 GLU 74 E -8.079 10.871 -11.933 -5.549 5 160 68 954 788 Inactive Inactive 700 1B56 GLU 75 E -9.823 10.501 -15.481 -5.822 6 155 80 1036 1053 Inactive Inactive 701 1B56 THR 76 E -7.343 7.857 -12.28 -5.365 3 153 108 1127 1312 Inactive Inactive 702 1B56 THR 77 E -7.313 7.903 -12.365 -5.371 3 155 126 1176 1512 Inactive Gatekeeper 703 1B56 ALA 78 T -7.308 7.91 -12.39 -5.373 3 151 137 1237 1669 Inactive Gatekeeper 704 1B56 ASP 79 T -7.311 7.902 -12.38 -5.373 3 151 142 1295 1800 Gatekeeper Selective 705 1B56 GLY 80 T -7.312 7.898 -12.372 -5.372 3 161 149 1333 1900 Gatekeeper Selective 706 1B56 ARG 81 E -8.942 8.997 -14.371 -5.571 6 143 150 1368 1983 Gatekeeper Selective 707 1B56 LYS 82 E -9.875 9.497 -15.871 -5.82 6 140 149 1399 2040 Gatekeeper Selective 708 1B56 THR 83 E -10.404 10.285 -16.25 -5.942 6 119 149 1428 2066 Gatekeeper Selective 709 1B56 GLN 84 E -11.049 11.348 -16.316 -5.653 8 110 148 1462 2142 Gatekeeper Selective 710 1B56 THR 85 E -11.033 11.887 -15.855 -5.515 8 97 141 1465 2172 Inactive Selective 711 1B56 VAL 86 E -10.746 12.248 -15.089 -5.203 6 75 134 1446 2091 Inactive Selective 712 1B56 CYS 87 E -10.177 10.439 -14.522 -4.917 6 76 150 1415 1936 Gatekeeper Selective 713 1B56 ASN 88 E -6.595 7.527 -10.402 -4.599 3 124 155 1350 1705 Gatekeeper Selective 714 1B56 PHE 89 E -5.325 7.937 -8.467 -4.33 2 145 141 1281 1482 Inactive Selective 715 1B56 THR 90 E -5.22 8.232 -8.504 -4.356 2 207 137 1255 1305 Inactive Permissive 716 1B56 ASP 91 T -5.219 8.235 -8.509 -4.356 2 291 141 1230 1201 Inactive Inactive 717 1B56 GLY 92 T -5.219 8.235 -8.509 -4.356 2 387 143 1216 1142 Selective Inactive 718 1B56 ALA 93 E -5.28 8.312 -8.304 -4.329 2 518 139 1221 1130 Permissive Inactive 719 1B56 LEU 94 E -6.288 9.748 -8.727 -4.489 4 643 137 1229 1151 Permissive Inactive 720 1B56 VAL 95 E -9.028 10.67 -11.94 -4.589 5 713 138 1268 1264 Permissive Permissive 721 1B56 GLN 96 E -12.025 12.991 -15.557 -5.349 8 857 154 1318 1568 Selective Selective 722 1B56 HIS 97 E -13.167 13.381 -18.641 -6.515 8 922 152 1364 1753 Selective Selective 723 1B56 GLN 98 E -9.407 10.503 -14.781 -6.406 6 962 151 1398 1814 Selective Selective 724 1B56 GLU 99 E -5.053 9.093 -8.795 -5.542 2 978 146 1450 1898 Selective Selective 725 1B56 TRP 100 E -4.611 8.967 -8.754 -5.49 2 982 119 1503 2001 Permissive Selective 726 1B56 ASP 101 T -4.535 8.594 -9.06 -5.478 3 982 101 1555 2123 Permissive Selective 727 1B56 GLY 102 T -4.535 8.594 -9.063 -5.478 3 1011 81 1613 2232 Permissive Selective 728 1B56 LYS 103 E -4.535 8.593 -9.062 -5.477 3 968 59 1614 2303 Permissive Selective 729 1B56 GLU 104 E -4.855 8.232 -9.252 -5.429 3 884 41 1622 2329 Permissive Selective 730 1B56 SER 105 E -5.785 5.881 -11.296 -5.383 3 792 33 1610 2322 Permissive Selective 731 1B56 THR 106 E -8.912 8.353 -14.202 -5.522 6 673 29 1624 2318 Permissive Selective 732 1B56 ILE 107 E -11.468 12.366 -15.869 -5.435 8 554 27 1650 2367 Permissive Selective 733 1B56 THR 108 E -11.831 12.979 -15.957 -5.488 8 494 26 1638 2261 Permissive Selective 734 1B56 ARG 109 E -10.202 13.272 -13.305 -5.544 7 361 5 1599 1954 Permissive Selective 735 1B56 LYS 110 E -4.861 7.97 -8.352 -4.931 2 303 5 1554 1705 Inactive Selective 736 1B56 LEU 111 E -2.628 7.703 -5.688 -4.885 2 271 8 1527 1580 Inactive Selective 737 1B56 LYS 112 E -2.598 7.83 -5.744 -4.895 2 306 20 1493 1497 Inactive Selective 738 1B56 ASP 113 T -2.596 7.839 -5.75 -4.895 2 305 25 1464 1405 Inactive Selective 739 1B56 GLY 114 T -2.596 7.839 -5.75 -4.895 2 270 29 1425 1296 Inactive Permissive 740 1B56 LYS 115 E -2.61 7.832 -5.687 -4.891 2 217 33 1376 1205 Inactive Permissive 741 1B56 LEU 116 E -4.365 10.156 -6.749 -4.96 2 200 39 1366 1156 Inactive Permissive 742 1B56 VAL 117 E -6.182 11.537 -7.977 -4.76 4 200 40 1356 1197 Inactive Permissive 743 1B56 VAL 118 E -9.295 14.709 -10.738 -4.867 7 195 41 1388 1311 Inactive Permissive 744 1B56 GLU 119 E -10.753 15.295 -14.849 -6.172 8 200 73 1373 1398 Inactive Selective 745 1B56 CYS 120 E -8.954 8.079 -14.306 -5.39 6 206 87 1333 1333 Inactive Permissive 746 1B56 VAL 121 E -6.939 8.327 -10.993 -4.924 3 208 86 1313 1349 Inactive Permissive 747 1B56 MET 122 E -5.656 8.477 -9.348 -4.888 3 208 87 1320 1371 Inactive Selective 748 1B56 ASN 123 T -5.041 6.971 -9.399 -4.691 2 - - - - - - 749 1B56 ASN 124 T -4.969 7.132 -9.391 -4.665 2 - - - - - - 750 1B56 VAL 125 E -4.969 7.131 -9.385 -4.664 2 - - - - - - 751 1B56 THR 126 E -4.99 7.088 -9.331 -4.655 2 - - - - - - 752 1B56 CYS 127 E -5.191 6.517 -9.409 -4.562 2 - - - - - - 753 1B56 THR 128 E -6.252 8.38 -9.323 -4.462 4 - - - - - - 754 1B56 ARG 129 E -11.824 12.475 -15.875 -5.193 8 - - - - - - 755 1B56 ILE 130 E -11.413 16.231 -14.24 -5.982 8 - - - - - - 756 1B56 TYR 131 E -9.431 13.415 -12.268 -5.508 7 - - - - - - 757 1B56 GLU 132 E -5.786 6.824 -8.99 -4.018 2 - - - - - - 758 1B56 LYS 133 E -5.786 6.824 -8.99 -4.018 2 - - - - - - 759 1B56 VAL 134 C -5.786 6.824 -8.99 -4.018 2 - - - - - - 760 1B56 GLU 135 C -5.786 6.824 -8.99 -4.018 2 - - - - - - 761 1B9O LYS 1 C -10.641 9.379 -14.619 -4.553 6 - - - - - - 762 1B9O GLN 2 B -10.641 9.379 -14.619 -4.553 6 - - - - - - 763 1B9O PHE 3 C -10.641 9.379 -14.619 -4.553 6 - - - - - - 764 1B9O THR 4 C -10.641 9.379 -14.619 -4.553 6 - - - - - - 765 1B9O LYS 5 H -13.682 12.803 -19.955 -6.437 8 - - - - - - 766 1B9O CYS 6 H -11.661 11.873 -16.229 -5.762 8 - - - - - - 767 1B9O GLU 7 H -10.788 12.813 -14.381 -5.311 8 - - - - - - 768 1B9O LEU 8 H -10.192 14.44 -12.6 -4.995 7 - - - - - - 769 1B9O SER 9 H -9.846 13.278 -12.833 -4.876 7 - - - - - - 770 1B9O GLN 10 H -7.536 9.709 -10.255 -4.345 4 - - - - - - 771 1B9O LEU 11 H -7.391 10.365 -10.106 -4.352 4 - - - - - - 772 1B9O LEU 12 H -7.038 10.985 -9.776 -4.462 4 - - - - - - 773 1B9O LYS 13 G -6.268 8.483 -10.168 -4.604 3 173 1063 1506 2720 Selective Selective 774 1B9O ASP 14 G -6.264 8.499 -10.189 -4.61 3 164 1537 1535 2559 Gatekeeper Selective 775 1B9O ILE 15 G -6.328 8.398 -10.213 -4.653 3 174 2164 1561 2381 Gatekeeper Selective 776 1B9O ASP 16 T -5.965 7.466 -10.796 -4.915 3 177 2670 1584 2294 Gatekeeper Selective 777 1B9O GLY 17 T -5.361 7.866 -9.758 -4.929 3 170 3045 1606 2209 Gatekeeper Selective 778 1B9O TYR 18 G -5.413 8.084 -9.659 -4.957 3 143 3163 1600 2213 Gatekeeper Selective 779 1B9O GLY 19 G -5.326 8.378 -9.497 -4.872 3 239 3673 1569 2214 Gatekeeper Selective 780 1B9O GLY 20 G -5.324 8.391 -9.491 -4.867 3 308 3844 1545 2225 Gatekeeper Selective 781 1B9O ILE 21 C -5.429 8.732 -9.121 -4.804 3 337 3863 1521 2218 Gatekeeper Selective 782 1B9O ALA 22 C -6.241 10.19 -8.948 -4.454 4 340 3860 1481 2195 Selective Selective 783 1B9O LEU 23 H -6.473 10.326 -8.576 -4.335 4 357 3834 1443 2183 Selective Selective 784 1B9O PRO 24 H -8.386 12.431 -9.626 -4.034 4 342 3778 1418 2194 Selective Selective 785 1B9O GLU 25 H -10.159 17.019 -11.012 -4.627 7 329 3246 1384 2205 Selective Selective 786 1B9O LEU 26 H -10.293 17.561 -10.847 -4.722 7 327 2843 1354 2162 Selective Selective 787 1B9O ILE 27 H -10.925 18.082 -12.201 -5.084 7 327 2369 1296 2079 Gatekeeper Selective 788 1B9O CYS 28 H -10.984 15.975 -13.915 -5.465 8 308 1741 1237 1962 Gatekeeper Selective 789 1B9O THR 29 H -10.537 15.251 -13.475 -5.518 7 290 1235 1145 1749 Gatekeeper Selective 790 1B9O MET 30 H -10.541 15.012 -13.595 -5.514 8 305 863 1040 1501 Gatekeeper Selective 791 1B9O PHE 31 H -8.585 10.158 -12.526 -5.216 5 298 740 943 1168 Gatekeeper Selective 792 1B9O HIS 32 H -8.582 10.167 -12.538 -5.218 5 197 227 863 915 Gatekeeper Inactive 793 1B9O THR 33 H -8.585 10.149 -12.53 -5.216 5 133 58 802 722 Gatekeeper Inactive 794 1B9O SER 34 H -8.598 10.032 -12.522 -5.21 5 113 35 756 599 Inactive Inactive 795 1B9O GLY 35 T -8.6 10.02 -12.515 -5.209 5 118 28 746 521 Inactive Inactive 796 1B9O TYR 36 T -11.379 13.35 -15.644 -5.65 8 124 17 742 461 Inactive Inactive 797 1B9O ASP 37 B -8.699 9.823 -11.801 -4.471 5 204 7 699 354 Inactive Inactive 798 1B9O THR 38 T -8.312 9.734 -12.029 -4.533 5 266 10 703 276 Inactive Inactive 799 1B9O GLN 39 T -5.886 7.984 -8.641 -4.051 2 283 15 710 263 Inactive Inactive 800 1B9O ALA 40 T -5.777 7.75 -9.031 -4.102 2 313 26 724 309 Inactive Inactive 801 1B9O ILE 41 E -4.149 6.014 -8.048 -4.427 2 402 66 752 442 Inactive Inactive 802 1B9O VAL 42 E -3.676 4.696 -8.636 -4.495 2 455 80 794 702 Permissive Inactive 803 1B9O GLU 43 E -3.1 5.145 -8.276 -4.869 2 567 104 880 1106 Permissive Inactive 804 1B9O ASN 44 T -3.097 5.142 -8.306 -4.884 2 595 114 987 1677 Permissive Inactive 805 1B9O ASP 45 T -3.098 5.142 -8.304 -4.886 2 621 116 1112 2403 Permissive Gatekeeper 806 1B9O GLU 46 T -3.201 4.99 -8.351 -4.961 2 633 115 1237 3296 Permissive Selective 807 1B9O SER 47 T -3.37 5.433 -8.085 -5.087 2 619 115 1377 4358 Permissive Selective 808 1B9O THR 48 E -5.616 6.861 -10.746 -5.461 3 606 117 1515 5587 Permissive Selective 809 1B9O GLU 49 E -7.597 9.485 -12.77 -6.07 6 592 134 1651 6799 Permissive Selective 810 1B9O TYR 50 E -10.798 15.97 -18.548 -9.82 8 519 147 1807 8053 Permissive Selective 811 1B9O GLY 51 T -12.211 15.654 -19.142 -8.33 8 470 152 1919 9062 Permissive Selective 812 1B9O LEU 52 T -12.957 16.559 -16.275 -5.964 8 506 173 2012 9970 Permissive Selective 813 1B9O PHE 53 T -13.639 18.341 -15.875 -5.789 8 542 199 2094 10734 Selective Selective 814 1B9O GLN 54 T -13.495 16.204 -17.15 -5.955 8 506 162 2160 11275 Selective Selective 815 1B9O ILE 55 E -10.851 13.12 -14.448 -5.714 8 513 208 2225 11562 Selective Selective 816 1B9O SER 56 E -10.791 13.259 -14.585 -5.768 8 464 221 2245 11541 Selective Selective 817 1B9O ASN 57 T -10.715 13.429 -14.743 -5.845 8 497 255 2245 11239 Selective Selective 818 1B9O LYS 58 T -10.241 14.211 -14.058 -5.921 8 541 295 2191 10663 Selective Selective 819 1B9O LEU 59 T -10.237 14.216 -14.076 -5.921 8 612 414 2125 9846 Selective Selective 820 1B9O TRP 60 T -10.375 14.234 -14.197 -5.93 8 668 499 2000 8812 Selective Selective 821 1B9O CYS 61 C -9.616 7.792 -15.989 -5.519 6 691 634 1846 7582 Selective Selective 822 1B9O LYS 62 B -8.964 7.459 -14.797 -5.066 6 691 674 1689 6352 Selective Selective 823 1B9O SER 63 B -8.001 5.813 -13.391 -4.41 5 686 696 1524 5094 Selective Selective 824 1B9O SER 64 T -6.92 4.593 -11.954 -3.943 3 674 710 1366 4059 Selective Selective 825 1B9O GLN 65 T -6.867 4.65 -12.089 -3.981 3 618 764 1222 3103 Selective Selective 826 1B9O VAL 66 B -5.33 6.332 -8.182 -3.454 2 564 878 1082 2242 Selective Selective 827 1B9O PRO 67 T -5.136 6.401 -8.511 -3.637 2 529 1003 938 1534 Selective Selective 828 1B9O GLN 68 T -5.127 6.448 -8.529 -3.648 2 515 1024 795 966 Selective Gatekeeper 829 1B9O SER 69 T -5.151 6.537 -8.396 -3.639 2 486 1031 669 571 Selective Inactive 830 1B9O ARG 70 C -5.149 6.554 -8.406 -3.645 2 436 1011 551 302 Selective Inactive 831 1B9O ASN 71 T -5.823 6.757 -9.575 -4.151 2 378 990 464 150 Selective Inactive 832 1B9O ILE 72 T -7.129 8.316 -11.322 -4.507 5 303 884 391 75 Selective Inactive 833 1B9O CYS 73 T -7.618 8.098 -12.63 -4.849 5 258 819 367 45 Gatekeeper Inactive 834 1B9O ASP 74 T -7.491 7.905 -12.737 -4.844 5 240 683 383 44 Gatekeeper Inactive 835 1B9O ILE 75 C -7.838 8.049 -13.418 -5.015 5 241 627 390 49 Gatekeeper Inactive 836 1B9O SER 76 B -7.976 7.724 -13.543 -4.976 5 295 599 403 66 Gatekeeper Inactive 837 1B9O CYS 77 G -8.083 7.369 -13.656 -4.972 3 314 581 446 100 Gatekeeper Inactive 838 1B9O ASP 78 G -8.309 7.461 -13.417 -4.858 5 319 501 491 142 Gatekeeper Inactive 839 1B9O LYS 79 G -9.293 8.634 -14.126 -4.981 6 323 352 566 236 Gatekeeper Inactive 840 1B9O PHE 80 G -10.463 12.278 -14.903 -5.336 6 321 225 648 348 Gatekeeper Inactive 841 1B9O LEU 81 C -8.164 10.504 -11.327 -4.903 5 279 144 750 497 Gatekeeper Inactive 842 1B9O ASP 82 C -6.874 8.011 -10.803 -4.607 3 238 97 859 678 Inactive Inactive 843 1B9O ASP 83 C -6.63 8.199 -10.849 -4.655 3 225 74 954 850 Inactive Inactive 844 1B9O ASP 84 C -6.626 8.205 -10.866 -4.656 3 216 53 1044 1002 Inactive Inactive 845 1B9O ILE 85 H -6.626 8.206 -10.866 -4.655 3 201 39 1112 1131 Inactive Permissive 846 1B9O THR 86 H -6.671 8.026 -10.834 -4.636 3 192 19 1152 1250 Inactive Permissive 847 1B9O ASP 87 H -7.261 8.589 -10.997 -4.749 5 184 18 1156 1350 Inactive Permissive 848 1B9O ASP 88 H -9.557 9.519 -13.684 -4.737 6 173 18 1164 1472 Inactive Permissive 849 1B9O ILE 89 H -10.315 12.066 -13.811 -4.801 7 117 17 1174 1592 Inactive Selective 850 1B9O MET 90 H -10.476 11.892 -14.141 -4.945 7 98 17 1150 1671 Inactive Selective 851 1B9O CYS 91 H -10.391 12.47 -13.937 -5.012 7 93 19 1111 1749 Inactive Selective 852 1B9O ALA 92 H -10.345 12.96 -13.747 -5.005 7 96 21 1052 1750 Inactive Selective 853 1B9O LYS 93 H -10.288 13.362 -13.618 -5.028 7 117 23 995 1700 Inactive Selective 854 1B9O LYS 94 H -9.132 14.009 -10.284 -4.43 7 156 30 921 1601 Inactive Gatekeeper 855 1B9O ILE 95 H -7.696 14.678 -7.916 -4.29 4 201 58 852 1463 Inactive Gatekeeper 856 1B9O LEU 96 H -6.312 10.62 -8.477 -4.438 4 234 58 820 1329 Inactive Inactive 857 1B9O ASP 97 H -5.794 9.885 -8.552 -4.429 4 274 60 792 1217 Inactive Inactive 858 1B9O ILE 98 H -5.684 10.024 -8.606 -4.451 4 327 63 790 1122 Inactive Inactive 859 1B9O LYS 99 H -5.684 10.024 -8.61 -4.453 4 379 72 803 1027 Inactive Inactive 860 1B9O GLY 100 C -5.702 9.876 -8.639 -4.459 4 413 78 842 943 Permissive Inactive 861 1B9O ILE 101 H -5.933 9.727 -8.687 -4.461 4 467 76 880 850 Permissive Inactive 862 1B9O ASP 102 H -6.723 10.76 -8.916 -4.569 4 566 71 904 748 Permissive Inactive 863 1B9O TYR 103 H -9.099 13.742 -11.422 -5.292 7 662 69 925 667 Permissive Inactive 864 1B9O TRP 104 H -8.387 14.406 -9.432 -4.8 4 677 67 930 568 Permissive Inactive 865 1B9O LEU 105 H -5.723 7.775 -8.514 -4.044 2 658 63 929 495 Permissive Inactive 866 1B9O ALA 106 T -4.771 6.37 -8.179 -3.907 2 640 60 920 460 Permissive Inactive 867 1B9O HIS 107 T -4.742 6.417 -8.286 -3.939 2 636 53 934 448 Permissive Inactive 868 1B9O LYS 108 T -4.7 6.503 -8.4 -3.983 2 628 26 941 442 Permissive Inactive 869 1B9O ALA 109 T -4.679 6.524 -8.482 -4.009 2 669 27 917 433 Permissive Inactive 870 1B9O LEU 110 T -4.783 6.301 -8.513 -4.016 2 713 27 899 426 Permissive Inactive 871 1B9O CYS 111 T -5.732 7.499 -10.515 -4.679 3 - - - - - - 872 1B9O THR 112 T -5.563 7.381 -10.135 -4.559 3 - - - - - - 873 1B9O GLU 113 T -5.743 7.281 -10.311 -4.564 3 - - - - - - 874 1B9O LYS 114 T -5.889 7.226 -10.21 -4.514 3 - - - - - - 875 1B9O LEU 115 G -5.928 7.161 -10.069 -4.463 3 - - - - - - 876 1B9O GLU 116 G -6.005 7.204 -9.799 -4.397 2 - - - - - - 877 1B9O GLN 117 G -7.471 7.528 -11.745 -4.692 3 - - - - - - 878 1B9O TRP 118 G -8.908 11.635 -14.022 -6.48 6 - - - - - - 879 1B9O LEU 119 C -4.931 5.718 -9.822 -5.064 3 - - - - - - 880 1B9O CYS 120 C -3.455 4.017 -8.093 -4.327 2 - - - - - - 881 1B9O GLU 121 C -3.455 4.017 -8.093 -4.327 2 - - - - - - 882 1B9O LYS 122 C -3.455 4.017 -8.093 -4.327 2 - - - - - - 883 1B9O LEU 123 C -3.455 4.017 -8.093 -4.327 2 - - - - - - 884 1BD8 ARG 7 H -7.414 5.512 -11.456 -3.709 3 - - - - - - 885 1BD8 ALA 8 H -7.414 5.512 -11.456 -3.709 3 - - - - - - 886 1BD8 GLY 9 H -7.414 5.512 -11.456 -3.709 3 - - - - - - 887 1BD8 ASP 10 H -7.414 5.512 -11.456 -3.709 3 - - - - - - 888 1BD8 ARG 11 H -10.364 6.658 -15.9 -4.608 6 - - - - - - 889 1BD8 LEU 12 H -11.35 11.551 -14.699 -4.473 7 - - - - - - 890 1BD8 SER 13 H -10.559 8.933 -14.657 -4.149 6 - - - - - - 891 1BD8 GLY 14 H -9.561 7.809 -13.508 -3.774 5 - - - - - - 892 1BD8 ALA 15 H -9.288 8.213 -13.311 -3.796 5 - - - - - - 893 1BD8 ALA 16 H -8.917 7.777 -13.48 -3.995 5 - - - - - - 894 1BD8 ALA 17 H -8.36 7.53 -13.056 -4.191 5 - - - - - - 895 1BD8 ARG 18 H -7.659 6.817 -12.594 -4.357 5 - - - - - - 896 1BD8 GLY 19 C -7.028 7.021 -12.313 -4.865 3 378 1538 1122 268 Gatekeeper Permissive 897 1BD8 ASP 20 C -7.005 7.155 -12.296 -4.866 3 395 1305 1173 307 Gatekeeper Permissive 898 1BD8 VAL 21 H -7.011 7.192 -12.27 -4.874 3 415 1015 1205 342 Gatekeeper Permissive 899 1BD8 GLN 22 H -7.046 7.201 -12.236 -4.909 3 467 747 1189 370 Gatekeeper Permissive 900 1BD8 GLU 23 H -7.215 7.431 -12.179 -5.067 3 513 671 1172 389 Gatekeeper Permissive 901 1BD8 VAL 24 H -8.667 10.566 -12.134 -4.646 5 538 643 1139 415 Gatekeeper Permissive 902 1BD8 ARG 25 H -9.521 11.63 -12.352 -4.38 7 623 641 1123 465 Gatekeeper Permissive 903 1BD8 ARG 26 H -9.999 12.014 -12.561 -4.278 7 652 560 1109 499 Selective Permissive 904 1BD8 LEU 27 H -10.642 13.506 -13.106 -4.426 7 642 487 1091 529 Permissive Permissive 905 1BD8 LEU 28 H -8.075 9.01 -11.358 -4.385 5 625 486 1077 549 Inactive Permissive 906 1BD8 HIS 29 H -7.767 8.598 -11.485 -4.241 5 624 493 1053 579 Inactive Permissive 907 1BD8 ARG 30 H -7.192 8.319 -10.627 -3.907 4 607 494 1029 621 Inactive Permissive 908 1BD8 GLU 31 C -7.185 8.333 -10.645 -3.906 4 586 488 1007 656 Inactive Inactive 909 1BD8 LEU 32 C -7.174 8.377 -10.656 -3.903 4 489 490 989 676 Inactive Inactive 910 1BD8 VAL 33 C -7.299 8.341 -10.474 -3.774 4 466 503 968 687 Inactive Inactive 911 1BD8 HIS 34 T -7.278 8.96 -10.136 -3.769 4 419 512 1008 724 Inactive Inactive 912 1BD8 PRO 35 T -8.014 11.056 -10.283 -3.953 4 345 528 1071 812 Inactive Permissive 913 1BD8 ASP 36 T -8.034 11.091 -10.247 -3.971 4 288 493 1164 945 Inactive Selective 914 1BD8 ALA 37 T -8.024 10.842 -10.442 -4.014 4 238 415 1275 1116 Inactive Selective 915 1BD8 LEU 38 C -6.317 6.259 -10.917 -4.585 3 138 321 1365 1314 Inactive Selective 916 1BD8 ASN 39 B -5.714 6.884 -10.628 -4.958 3 114 269 1449 1521 Inactive Selective 917 1BD8 ARG 40 T -5.683 7.005 -10.662 -4.967 3 90 200 1510 1684 Inactive Selective 918 1BD8 PHE 41 T -5.678 7.042 -10.674 -4.971 3 89 168 1545 1794 Inactive Selective 919 1BD8 GLY 42 T -5.679 7.041 -10.669 -4.972 3 99 124 1575 1872 Inactive Selective 920 1BD8 LYS 43 B -5.91 7.527 -10.538 -5.144 3 119 104 1577 1912 Inactive Selective 921 1BD8 THR 44 C -7.333 9.558 -11.419 -5.166 3 130 93 1554 1935 Inactive Selective 922 1BD8 ALA 45 G -8.415 11.102 -11.977 -5.331 5 150 89 1532 1952 Inactive Selective 923 1BD8 LEU 46 G -10.463 14.706 -12.724 -5.163 7 164 99 1484 1990 Inactive Selective 924 1BD8 GLN 47 G -11.782 16.748 -13.992 -5.226 8 175 97 1413 2018 Inactive Selective 925 1BD8 VAL 48 C -10.865 14.546 -13.284 -5.048 7 185 92 1334 1982 Inactive Selective 926 1BD8 MET 49 C -10.613 14.013 -13.582 -5.169 7 224 130 1234 1900 Inactive Selective 927 1BD8 MET 50 T -10.022 12.775 -13.478 -5.122 7 237 141 1131 1755 Inactive Selective 928 1BD8 PHE 51 T -9.679 12.654 -13.216 -5.048 7 245 158 1046 1560 Inactive Selective 929 1BD8 GLY 52 T -8.028 10.395 -10.944 -4.539 5 289 210 961 1361 Inactive Gatekeeper 930 1BD8 SER 53 T -8.012 10.421 -10.968 -4.525 5 311 221 874 1215 Inactive Gatekeeper 931 1BD8 THR 54 H -7.957 10.688 -10.882 -4.478 4 339 235 792 1117 Inactive Gatekeeper 932 1BD8 ALA 55 H -7.967 10.67 -10.84 -4.467 4 477 520 703 1024 Inactive Gatekeeper 933 1BD8 ILE 56 H -7.981 10.626 -10.79 -4.454 4 580 765 638 939 Gatekeeper Gatekeeper 934 1BD8 ALA 57 H -9.176 13.101 -10.761 -4.123 4 626 913 597 847 Selective Inactive 935 1BD8 LEU 58 H -9.34 13.503 -10.348 -4.087 4 630 1007 547 764 Selective Inactive 936 1BD8 GLU 59 H -11.067 14.697 -13.526 -4.834 7 627 1089 548 671 Selective Inactive 937 1BD8 LEU 60 H -8.739 13.623 -10.512 -4.965 7 648 1224 538 565 Selective Inactive 938 1BD8 LEU 61 H -7.563 11.878 -10.005 -4.821 4 648 1379 530 478 Selective Inactive 939 1BD8 LYS 62 H -7.386 11.04 -10.542 -4.796 4 665 1827 530 407 Selective Inactive 940 1BD8 GLN 63 H -7.38 11.023 -10.572 -4.791 4 713 2301 541 359 Selective Inactive 941 1BD8 GLY 64 C -7.368 10.955 -10.636 -4.778 4 800 2822 544 314 Selective Inactive 942 1BD8 ALA 65 C -7.409 10.629 -10.699 -4.727 4 850 3415 576 278 Selective Inactive 943 1BD8 SER 66 T -8.008 8.765 -12.302 -4.582 5 918 4031 627 241 Selective Inactive 944 1BD8 PRO 67 T -8.795 9.136 -12.965 -4.194 5 948 4539 697 227 Selective Inactive 945 1BD8 ASN 68 T -8.256 7.514 -13.647 -4.783 5 789 4447 791 281 Selective Inactive 946 1BD8 VAL 69 T -8.085 6.886 -13.864 -4.79 5 697 4446 897 398 Selective Inactive 947 1BD8 GLN 70 C -6.97 4.234 -13.411 -4.859 3 731 4637 996 592 Selective Inactive 948 1BD8 ASP 71 T -5.59 4.401 -11.006 -4.54 3 768 4850 1095 798 Selective Permissive 949 1BD8 THR 72 T -5.576 4.437 -11.053 -4.544 3 785 4992 1154 987 Selective Selective 950 1BD8 SER 73 T -5.58 4.422 -11.032 -4.54 3 811 5175 1200 1154 Selective Selective 951 1BD8 GLY 74 T -5.582 4.418 -11.018 -4.539 3 826 5291 1241 1300 Selective Selective 952 1BD8 THR 75 C -5.634 4.468 -10.81 -4.511 3 786 4891 1260 1414 Selective Selective 953 1BD8 SER 76 C -7.767 5.947 -12.966 -4.676 5 730 4453 1247 1513 Selective Selective 954 1BD8 PRO 77 H -10.201 11.409 -13.64 -4.588 7 644 3938 1239 1662 Selective Selective 955 1BD8 VAL 78 H -10.318 11.908 -13.199 -4.561 7 537 3279 1211 1809 Gatekeeper Selective 956 1BD8 HIS 79 H -11.689 14.189 -14.284 -4.598 7 444 2648 1166 1959 Gatekeeper Selective 957 1BD8 ASP 80 H -11.169 12.229 -14.105 -4.455 7 387 2124 1099 2067 Gatekeeper Selective 958 1BD8 ALA 81 H -10.11 11.099 -13.237 -4.406 7 389 1928 1019 2107 Gatekeeper Selective 959 1BD8 ALA 82 H -9.893 11.142 -13.337 -4.462 7 376 1682 918 2076 Gatekeeper Gatekeeper 960 1BD8 ARG 83 H -9.603 11.759 -13.016 -4.58 7 287 1341 821 1971 Gatekeeper Gatekeeper 961 1BD8 THR 84 H -7.732 11.015 -10.506 -4.793 4 232 1019 737 1828 Gatekeeper Gatekeeper 962 1BD8 GLY 85 T -7.636 11.259 -10.574 -4.82 4 203 769 665 1715 Gatekeeper Gatekeeper 963 1BD8 PHE 86 T -7.64 11.291 -10.546 -4.825 4 195 442 617 1627 Inactive Gatekeeper 964 1BD8 LEU 87 H -7.579 11.568 -10.484 -4.808 4 184 158 575 1536 Inactive Gatekeeper 965 1BD8 ASP 88 H -7.568 11.64 -10.472 -4.806 4 176 72 545 1451 Inactive Gatekeeper 966 1BD8 THR 89 H -8.331 13.428 -10.68 -4.814 7 190 29 539 1366 Inactive Gatekeeper 967 1BD8 LEU 90 H -8.73 14.229 -10.364 -4.668 7 191 13 535 1218 Inactive Gatekeeper 968 1BD8 LYS 91 H -8.621 14.176 -10.296 -4.56 7 209 170 527 1073 Inactive Gatekeeper 969 1BD8 VAL 92 H -8.853 14.291 -10.281 -4.261 4 239 395 513 915 Inactive Gatekeeper 970 1BD8 LEU 93 H -7.967 11.522 -10.155 -4.285 4 280 799 514 776 Gatekeeper Inactive 971 1BD8 VAL 94 H -6.79 9.303 -9.535 -4.136 4 288 1238 517 655 Gatekeeper Inactive 972 1BD8 GLU 95 H -6.725 9.15 -9.813 -4.188 4 440 1975 528 555 Gatekeeper Inactive 973 1BD8 HIS 96 H -6.722 9.137 -9.838 -4.192 4 627 2889 547 468 Selective Inactive 974 1BD8 GLY 97 C -6.727 9.082 -9.853 -4.196 4 848 3899 561 406 Selective Inactive 975 1BD8 ALA 98 C -6.784 8.883 -9.843 -4.181 4 1220 5180 601 345 Selective Inactive 976 1BD8 ASP 99 T -7.812 8.665 -12.126 -4.51 5 1592 6599 659 291 Selective Inactive 977 1BD8 VAL 100 T -8.421 10.172 -11.931 -4.279 5 2042 7931 753 299 Selective Inactive 978 1BD8 ASN 101 T -8.469 9.437 -12.401 -4.313 5 2521 9328 857 371 Selective Inactive 979 1BD8 VAL 102 T -7.755 7.402 -12.161 -4.197 5 3151 10759 954 467 Selective Inactive 980 1BD8 PRO 103 C -6.51 5.633 -11.33 -4.333 3 3858 12256 1071 588 Selective Permissive 981 1BD8 ASP 104 T -6.089 6.017 -11.018 -4.418 3 4138 12972 1180 676 Selective Permissive 982 1BD8 GLY 105 T -6.014 6.399 -10.921 -4.417 3 4341 13449 1296 792 Selective Permissive 983 1BD8 THR 106 T -6.015 6.407 -10.911 -4.415 3 4433 13470 1378 889 Selective Permissive 984 1BD8 GLY 107 T -6.037 6.413 -10.861 -4.425 3 4478 13266 1450 969 Selective Selective 985 1BD8 ALA 108 C -6.337 7.067 -10.623 -4.474 3 4377 12597 1484 1035 Selective Selective 986 1BD8 LEU 109 C -7.261 9.397 -10.208 -4.402 4 4234 11730 1495 1082 Selective Selective 987 1BD8 PRO 110 H -9.329 14.529 -10.443 -4.052 7 4040 10771 1505 1127 Selective Selective 988 1BD8 ILE 111 H -9.671 16.163 -9.933 -4.085 7 3717 9509 1497 1160 Selective Selective 989 1BD8 HIS 112 H -10.409 17.631 -10.647 -4.211 7 3306 8092 1440 1162 Selective Selective 990 1BD8 LEU 113 H -9.977 14.592 -11.787 -4.558 7 2866 6775 1347 1123 Selective Selective 991 1BD8 ALA 114 H -8.352 10.763 -11.591 -4.891 5 2410 5400 1248 1049 Selective Selective 992 1BD8 VAL 115 H -8.208 10.585 -11.917 -4.955 5 1796 3983 1165 981 Selective Selective 993 1BD8 GLN 116 H -7.697 9.15 -12.424 -5.116 5 1150 2539 1057 917 Selective Selective 994 1BD8 GLU 117 H -6.505 7.904 -10.686 -4.715 3 903 1678 974 918 Selective Gatekeeper 995 1BD8 GLY 118 C -6.225 8.486 -10.049 -4.467 4 730 991 862 900 Selective Inactive 996 1BD8 HIS 119 C -6.227 8.526 -9.985 -4.436 4 672 568 777 916 Selective Gatekeeper 997 1BD8 THR 120 H -6.211 8.619 -9.923 -4.395 4 668 340 707 939 Permissive Gatekeeper 998 1BD8 ALA 121 H -6.239 8.65 -9.782 -4.353 4 661 278 676 973 Permissive Gatekeeper 999 1BD8 VAL 122 H -6.715 9.812 -8.995 -3.983 4 680 239 663 1018 Permissive Gatekeeper 1000 1BD8 VAL 123 H -7.891 12.028 -8.951 -3.513 4 736 194 648 1042 Permissive Gatekeeper 1001 1BD8 SER 124 H -8.184 11.757 -8.925 -3.425 4 770 174 640 1058 Permissive Gatekeeper 1002 1BD8 PHE 125 H -9.966 15.069 -11.019 -4 7 880 176 660 1094 Permissive Gatekeeper 1003 1BD8 LEU 126 H -9.904 13.056 -12.596 -4.506 7 925 161 695 1114 Permissive Gatekeeper 1004 1BD8 ALA 127 H -9.822 11.841 -13.403 -4.658 7 955 139 738 1111 Permissive Gatekeeper 1005 1BD8 ALA 128 T -9.84 11.408 -13.716 -4.733 7 942 121 765 1078 Permissive Gatekeeper 1006 1BD8 GLU 129 T -9.673 10.916 -14.101 -4.935 6 906 61 806 1024 Permissive Gatekeeper 1007 1BD8 SER 130 T -7.917 10.283 -10.934 -4.629 4 942 63 824 933 Permissive Gatekeeper 1008 1BD8 ASP 131 T -6.314 10.792 -8.014 -4.171 4 945 63 879 850 Permissive Inactive 1009 1BD8 LEU 132 T -6.299 10.822 -8.07 -4.175 4 913 80 958 761 Permissive Inactive 1010 1BD8 HIS 133 T -6.222 10.526 -8.349 -4.155 4 897 88 1045 683 Permissive Permissive 1011 1BD8 ARG 134 T -6.205 10.47 -8.413 -4.137 4 875 141 1117 595 Permissive Permissive 1012 1BD8 ARG 135 C -5.394 6.873 -8.829 -3.856 2 831 200 1161 508 Permissive Permissive 1013 1BD8 ASP 136 T -5.079 6.583 -8.873 -4.02 2 750 233 1201 437 Permissive Permissive 1014 1BD8 ALA 137 T -4.993 6.742 -8.948 -4.068 2 700 286 1218 376 Permissive Permissive 1015 1BD8 ARG 138 T -5.001 6.725 -8.93 -4.07 2 594 329 1211 317 Inactive Permissive 1016 1BD8 GLY 139 T -5.003 6.719 -8.923 -4.072 2 569 420 1192 271 Inactive Permissive 1017 1BD8 LEU 140 C -5.299 7.358 -8.87 -4.263 2 538 443 1170 237 Inactive Permissive 1018 1BD8 THR 141 C -6.158 7.9 -9.468 -4.374 4 574 478 1127 214 Inactive Permissive 1019 1BD8 PRO 142 H -8.626 11.502 -11.05 -4.41 5 564 496 1078 198 Inactive Permissive 1020 1BD8 LEU 143 H -9.984 15.048 -12.061 -4.675 7 488 487 1038 187 Inactive Permissive 1021 1BD8 GLU 144 H -9.828 14.234 -12.213 -4.668 7 425 473 972 166 Inactive Inactive 1022 1BD8 LEU 145 H -9.818 14.105 -12.259 -4.65 7 395 458 870 137 Inactive Inactive 1023 1BD8 ALA 146 H -9.083 9.977 -13.02 -4.679 5 371 447 743 105 Inactive Inactive 1024 1BD8 LEU 147 H -8.154 8.641 -12.537 -4.741 5 346 389 632 80 Inactive Inactive 1025 1BD8 GLN 148 H -8.112 8.491 -12.717 -4.752 5 333 331 547 58 Inactive Inactive 1026 1BD8 ARG 149 H -8.002 7.86 -13.077 -4.732 5 321 293 472 39 Inactive Inactive 1027 1BD8 GLY 150 T -7.579 7.782 -12.462 -4.565 5 - - - - - - 1028 1BD8 ALA 151 T -7.601 7.774 -12.412 -4.543 5 - - - - - - 1029 1BD8 GLN 152 H -7.792 7.625 -12.437 -4.442 5 - - - - - - 1030 1BD8 ASP 153 H -7.762 7.98 -12.235 -4.405 5 - - - - - - 1031 1BD8 LEU 154 H -7.841 8.343 -11.891 -4.37 5 - - - - - - 1032 1BD8 VAL 155 H -8.761 10.961 -12.052 -4.347 5 - - - - - - 1033 1BD8 ASP 156 H -8.745 11.489 -12.369 -4.82 5 - - - - - - 1034 1BD8 ILE 157 H -8.186 12.523 -11.353 -5.239 7 - - - - - - 1035 1BD8 LEU 158 H -7.03 10.129 -10.103 -4.711 4 - - - - - - 1036 1BD8 GLN 159 H -5.109 5.328 -8.799 -3.794 2 - - - - - - 1037 1BD8 GLY 160 H -5.109 5.328 -8.799 -3.794 2 - - - - - - 1038 1BD8 HIS 161 C -5.109 5.328 -8.799 -3.794 2 - - - - - - 1039 1BD8 MET 162 C -5.109 5.328 -8.799 -3.794 2 - - - - - - 1040 1BIK SER 25 T -7.357 4.211 -13.272 -4.302 5 - - - - - - 1041 1BIK CYS 26 T -7.357 4.211 -13.272 -4.302 5 - - - - - - 1042 1BIK GLN 27 T -7.357 4.211 -13.272 -4.302 5 - - - - - - 1043 1BIK LEU 28 T -7.357 4.211 -13.272 -4.302 5 - - - - - - 1044 1BIK GLY 29 C -7.176 7.35 -11.78 -4.646 3 - - - - - - 1045 1BIK TYR 30 C -7.035 9.493 -10.121 -4.352 4 - - - - - - 1046 1BIK SER 31 C -6.814 8.402 -10.6 -4.296 4 - - - - - - 1047 1BIK ALA 32 C -4.301 4.966 -8.348 -4.138 2 - - - - - - 1048 1BIK GLY 33 C -3.065 3.253 -7.951 -4.275 2 - - - - - - 1049 1BIK PRO 34 C -2.953 3.288 -8.06 -4.256 2 - - - - - - 1050 1BIK CYS 35 C -2.947 3.282 -8.094 -4.258 2 - - - - - - 1051 1BIK MET 36 C -2.944 3.284 -8.107 -4.259 2 - - - - - - 1052 1BIK GLY 37 C -3.008 3.096 -8.072 -4.267 2 2572 4094 1168 787 Selective Inactive 1053 1BIK MET 38 C -3.95 3.423 -8.724 -4.138 2 2806 3804 1289 984 Permissive Inactive 1054 1BIK THR 39 E -5.452 3.276 -11.278 -4.395 3 3041 3663 1380 1195 Permissive Inactive 1055 1BIK SER 40 E -6.201 3.961 -11.623 -4.511 3 3340 3819 1449 1410 Permissive Inactive 1056 1BIK ARG 41 E -9.807 7.416 -15.182 -5.019 6 3659 3933 1525 1621 Permissive Inactive 1057 1BIK TYR 42 E -12.664 13.683 -16.875 -5.754 8 3866 4032 1597 1853 Selective Inactive 1058 1BIK PHE 43 E -10.315 12.573 -13.454 -5.355 7 3864 3951 1625 2044 Selective Permissive 1059 1BIK TYR 44 E -9.186 9.427 -13.813 -5.251 6 3632 3502 1634 2178 Permissive Selective 1060 1BIK ASN 45 E -6.914 5.507 -12.166 -4.833 3 3056 2545 1653 2330 Permissive Selective 1061 1BIK GLY 46 T -6.687 5.714 -12.054 -4.696 3 2660 1824 1683 2487 Permissive Selective 1062 1BIK THR 47 T -6.686 5.719 -12.06 -4.696 3 2485 1583 1702 2622 Permissive Selective 1063 1BIK SER 48 T -6.687 5.704 -12.057 -4.695 3 2239 1440 1705 2761 Permissive Selective 1064 1BIK MET 49 T -6.694 5.668 -12.036 -4.688 3 2030 1519 1727 2859 Inactive Selective 1065 1BIK ALA 50 E -7.357 6.209 -11.848 -4.41 3 1899 1722 1732 2914 Inactive Selective 1066 1BIK CYS 51 E -9.913 10.402 -14.629 -5.057 6 1932 2345 1715 2925 Inactive Selective 1067 1BIK GLU 52 E -10.25 12.27 -14.226 -5.332 6 2013 3003 1711 2910 Inactive Selective 1068 1BIK THR 53 E -10.249 12.377 -14.183 -5.341 6 2127 3935 1720 2906 Permissive Selective 1069 1BIK PHE 54 E -10.497 13.167 -13.796 -5.363 7 2169 4953 1719 2990 Selective Selective 1070 1BIK GLN 55 E -11.173 11.001 -17.242 -6.047 8 2239 5619 1696 2984 Selective Selective 1071 1BIK TYR 56 E -8.811 7.716 -13.957 -5.205 6 2375 6329 1684 2919 Selective Selective 1072 1BIK GLY 57 C -4.697 4.789 -10.333 -5.201 3 2609 7066 1679 2898 Selective Selective 1073 1BIK GLY 58 C -4.616 4.825 -10.658 -5.31 3 2820 7412 1676 2865 Selective Selective 1074 1BIK CYS 59 C -4.553 4.781 -10.817 -5.323 3 2984 7589 1664 2834 Selective Selective 1075 1BIK MET 60 C -4.547 4.798 -10.842 -5.328 3 3180 7764 1642 2796 Selective Selective 1076 1BIK GLY 61 C -4.547 4.798 -10.843 -5.328 3 3344 7910 1632 2811 Selective Selective 1077 1BIK ASN 62 T -5.432 4.833 -12.607 -5.765 3 3374 7867 1616 2910 Selective Selective 1078 1BIK GLY 63 T -5.85 4.596 -12.339 -5.469 3 3297 7637 1629 3040 Selective Selective 1079 1BIK ASN 64 T -7.226 6.499 -13.451 -5.845 3 3058 6998 1651 3191 Selective Selective 1080 1BIK ASN 65 T -8.851 7.097 -15.706 -6.297 6 2795 6233 1681 3373 Selective Selective 1081 1BIK PHE 66 B -11.675 11.492 -17.669 -6.026 8 2467 5087 1702 3467 Selective Selective 1082 1BIK VAL 67 C -9.135 8.478 -14.109 -5.32 6 2128 3866 1710 3338 Permissive Selective 1083 1BIK THR 68 C -9.102 8.493 -14.232 -5.341 6 1908 2980 1700 3215 Inactive Selective 1084 1BIK GLU 69 H -9.102 8.492 -14.23 -5.341 6 1762 2227 1691 3139 Inactive Selective 1085 1BIK LYS 70 H -9.102 8.491 -14.233 -5.341 6 1439 1435 1677 3028 Inactive Selective 1086 1BIK GLU 71 H -9.103 8.476 -14.235 -5.341 6 1210 1064 1632 2891 Inactive Selective 1087 1BIK CYS 72 H -10.707 8.96 -16.74 -5.752 6 986 852 1581 2730 Inactive Gatekeeper 1088 1BIK LEU 73 H -11.955 9.6 -18.632 -5.876 8 762 651 1521 2570 Inactive Gatekeeper 1089 1BIK GLN 74 H -11.929 9.573 -18.691 -5.878 8 584 489 1432 2331 Inactive Gatekeeper 1090 1BIK THR 75 H -11.227 8.674 -17.202 -5.284 6 526 459 1325 1991 Inactive Inactive 1091 1BIK CYS 76 H -10.819 7.858 -16.903 -5.049 6 522 536 1209 1641 Inactive Inactive 1092 1BIK ARG 77 C -10.719 7.859 -16.642 -4.853 6 490 562 1078 1281 Inactive Inactive 1093 1BIK THR 78 C -9.14 6.111 -14.031 -4.146 5 529 1039 958 898 Inactive Inactive 1094 1BIK VAL 79 G -8.285 5.914 -13.066 -4.015 5 491 1446 858 587 Inactive Inactive 1095 1BIK ALA 80 G -8.131 6.603 -12.862 -4.071 5 477 1750 770 415 Inactive Inactive 1096 1BIK ALA 81 G -7.9 7.12 -12.592 -4.113 5 428 1985 716 292 Inactive Inactive 1097 1BIK CYS 82 G -7.394 7.993 -11.47 -4.115 5 366 2330 663 209 Inactive Inactive 1098 1BIK ASN 83 G -6.773 8.677 -9.653 -3.757 4 418 2781 625 163 Inactive Inactive 1099 1BIK LEU 84 C -6.788 8.937 -9.461 -3.73 4 471 3242 617 137 Inactive Inactive 1100 1BIK PRO 85 C -5.894 9.433 -7.463 -3.447 2 567 3717 618 120 Inactive Inactive 1101 1BIK ILE 86 C -5.714 9.63 -7.417 -3.455 2 645 4053 656 114 Gatekeeper Inactive 1102 1BIK VAL 87 C -5.664 9.461 -7.596 -3.497 2 707 4236 718 118 Gatekeeper Inactive 1103 1BIK ARG 88 C -5.309 8.357 -7.824 -3.583 2 851 4761 787 135 Gatekeeper Inactive 1104 1BIK GLY 89 C -4.6 5.699 -8.163 -3.605 2 993 5257 869 158 Gatekeeper Inactive 1105 1BIK PRO 90 C -4.507 5.712 -8.126 -3.597 2 1090 5420 954 194 Gatekeeper Inactive 1106 1BIK CYS 91 C -4.499 5.631 -8.171 -3.589 2 1250 5077 1022 234 Gatekeeper Inactive 1107 1BIK ARG 92 C -4.356 6.386 -7.708 -3.536 2 1410 4726 1086 290 Gatekeeper Inactive 1108 1BIK ALA 93 C -4.413 6.358 -7.655 -3.525 2 1651 4707 1158 352 Gatekeeper Inactive 1109 1BIK PHE 94 C -4.835 8.23 -6.97 -3.43 2 1912 4779 1230 426 Gatekeeper Inactive 1110 1BIK ILE 95 E -5.12 8.935 -6.602 -3.396 1 2026 4539 1307 485 Gatekeeper Inactive 1111 1BIK GLN 96 E -5.209 9.22 -6.281 -3.399 1 2044 4096 1358 525 Selective Inactive 1112 1BIK LEU 97 E -7.021 11.968 -7.724 -3.909 4 2072 3662 1402 564 Permissive Inactive 1113 1BIK TRP 98 E -9.579 16.804 -9.549 -4.373 7 2081 3337 1448 631 Permissive Inactive 1114 1BIK ALA 99 E -8.941 10.35 -12.644 -4.721 5 2029 3092 1477 696 Inactive Inactive 1115 1BIK PHE 100 E -6.815 7.804 -10.074 -4.217 4 1991 3046 1499 786 Inactive Inactive 1116 1BIK ASP 101 E -2.574 3.895 -6.539 -4.172 1 1856 2587 1528 894 Inactive Inactive 1117 1BIK ALA 102 T -2.177 3.835 -6.588 -4.133 1 1745 2228 1549 995 Inactive Inactive 1118 1BIK VAL 103 T -2.129 3.906 -6.736 -4.187 1 1694 2231 1564 1070 Inactive Inactive 1119 1BIK LYS 104 T -2.128 3.91 -6.741 -4.188 1 1526 2446 1588 1177 Inactive Inactive 1120 1BIK GLY 105 T -2.128 3.91 -6.741 -4.188 1 1435 3045 1603 1275 Inactive Permissive 1121 1BIK LYS 106 E -2.52 3.826 -6.754 -4.094 1 1342 3578 1588 1351 Inactive Inactive 1122 1BIK CYS 107 E -3.652 4.602 -8.193 -4.613 2 1308 4675 1578 1412 Gatekeeper Inactive 1123 1BIK VAL 108 E -5.915 7.393 -10.014 -4.692 3 1598 6289 1559 1497 Gatekeeper Inactive 1124 1BIK LEU 109 E -6.921 9.669 -9.938 -4.768 4 1911 7939 1569 1652 Gatekeeper Inactive 1125 1BIK PHE 110 E -9.253 15.314 -12.768 -6.313 7 2068 9435 1609 1935 Selective Permissive 1126 1BIK PRO 111 E -9.857 13.351 -12.906 -5.048 7 2324 10946 1649 2254 Selective Selective 1127 1BIK TYR 112 E -9.798 10.134 -14.808 -5.352 6 2699 12032 1660 2640 Selective Selective 1128 1BIK GLY 113 C -6.47 5.338 -12.137 -5.181 3 3309 13079 1691 3130 Selective Selective 1129 1BIK GLY 114 C -6.454 5.35 -12.216 -5.19 3 3778 13687 1722 3683 Selective Selective 1130 1BIK CYS 115 C -6.451 5.353 -12.234 -5.191 3 4158 13944 1774 4354 Selective Selective 1131 1BIK GLN 116 C -6.451 5.347 -12.233 -5.191 3 4592 14203 1815 5169 Selective Selective 1132 1BIK GLY 117 C -6.452 5.339 -12.227 -5.19 3 5047 14318 1876 5925 Selective Selective 1133 1BIK ASN 118 T -8.469 5.886 -15.138 -5.472 6 5331 13856 1927 6555 Selective Selective 1134 1BIK GLY 119 T -9.55 6.213 -16.093 -5.393 6 5531 13169 1990 7147 Selective Selective 1135 1BIK ASN 120 T -11.007 8.104 -17.612 -5.806 6 5866 11986 2028 7702 Selective Selective 1136 1BIK LYS 121 T -12.182 10.276 -18.368 -6.229 8 5747 10516 2077 8187 Selective Selective 1137 1BIK PHE 122 B -13.711 16.22 -18.182 -6.41 8 - - - - - - 1138 1BIK TYR 123 C -13.353 14.535 -18.604 -6.555 8 - - - - - - 1139 1BIK SER 124 C -12.661 9.972 -19.716 -6.313 8 - - - - - - 1140 1BIK GLU 125 H -12.535 9.934 -19.827 -6.321 8 - - - - - - 1141 1BIK LYS 126 H -12.23 9.304 -19.75 -6.198 8 - - - - - - 1142 1BIK GLU 127 H -12.233 9.127 -19.929 -6.268 8 - - - - - - 1143 1BIK CYS 128 H -11.238 10.536 -18.357 -7.029 8 - - - - - - 1144 1BIK ARG 129 H -9.721 10.166 -15.02 -6.033 6 - - - - - - 1145 1BIK GLU 130 H -7.643 8.797 -11.722 -5.088 5 - - - - - - 1146 1BIK TYR 131 H -6.817 8.147 -10.459 -4.37 4 - - - - - - 1147 1BIK CYS 132 H -6.817 8.147 -10.459 -4.37 4 - - - - - - 1148 1BIK GLY 133 C -6.817 8.147 -10.459 -4.37 4 - - - - - - 1149 1BIK VAL 134 C -6.817 8.147 -10.459 -4.37 4 - - - - - - 1150 1BKF GLY 1 C -6.734 7.489 -9.439 -3.586 2 - - - - - - 1151 1BKF VAL 2 E -6.734 7.489 -9.439 -3.586 2 - - - - - - 1152 1BKF GLN 3 E -6.734 7.489 -9.439 -3.586 2 - - - - - - 1153 1BKF VAL 4 E -6.734 7.489 -9.439 -3.586 2 - - - - - - 1154 1BKF GLU 5 E -5.714 6.557 -8.99 -4.082 2 - - - - - - 1155 1BKF THR 6 E -3.409 6.383 -5.889 -3.905 1 - - - - - - 1156 1BKF ILE 7 E -3.402 6.374 -5.939 -3.909 1 - - - - - - 1157 1BKF SER 8 E -3.383 6.282 -6.086 -3.927 1 - - - - - - 1158 1BKF PRO 9 T -3.31 5.92 -6.451 -3.95 1 - - - - - - 1159 1BKF GLY 10 C -3.185 5.446 -6.878 -4.025 2 - - - - - - 1160 1BKF ASP 11 T -3.82 3.642 -9.002 -4.264 2 - - - - - - 1161 1BKF GLY 12 T -3.833 3.605 -8.978 -4.264 2 - - - - - - 1162 1BKF ARG 13 T -3.874 3.619 -8.86 -4.249 2 514 5492 1253 429 Selective Inactive 1163 1BKF THR 14 T -4.084 3.833 -8.709 -4.311 2 495 5134 1311 542 Selective Permissive 1164 1BKF PHE 15 C -5.615 6.959 -9.386 -4.418 2 476 4886 1390 714 Selective Permissive 1165 1BKF PRO 16 C -6.457 9.037 -9.335 -4.001 4 405 4622 1487 930 Selective Permissive 1166 1BKF LYS 17 T -6.32 8.607 -9.739 -4.265 4 347 3852 1564 1112 Gatekeeper Permissive 1167 1BKF ARG 18 T -6.269 8.627 -9.865 -4.326 4 309 3256 1645 1326 Gatekeeper Selective 1168 1BKF GLY 19 T -6.274 8.597 -9.861 -4.327 4 275 2601 1707 1558 Gatekeeper Selective 1169 1BKF GLN 20 E -6.404 8.21 -10.155 -4.444 3 228 1877 1776 1769 Gatekeeper Selective 1170 1BKF THR 21 E -6.765 8.34 -10.661 -4.788 3 183 1179 1850 1931 Gatekeeper Selective 1171 1BKF CYS 22 E -7.696 8.998 -11.355 -4.966 3 142 638 1898 2053 Inactive Selective 1172 1BKF VAL 23 E -9.713 11 -13.6 -5.202 6 174 387 1929 2130 Inactive Selective 1173 1BKF VAL 24 E -10.669 13.004 -13.241 -4.665 7 207 334 1936 2214 Inactive Selective 1174 1BKF HIS 25 E -10.876 13.13 -13.005 -4.601 7 226 291 1917 2240 Inactive Selective 1175 1BKF TYR 26 E -12.348 15.624 -15.393 -5.388 8 238 263 1861 2217 Inactive Selective 1176 1BKF THR 27 E -10.851 13.696 -14.13 -5.556 8 250 154 1776 2119 Inactive Selective 1177 1BKF GLY 28 E -9.663 10.585 -13.649 -5.169 6 288 69 1665 1940 Inactive Selective 1178 1BKF MET 29 E -8.397 8.755 -12.678 -5.041 5 355 13 1545 1713 Inactive Selective 1179 1BKF LEU 30 T -6.176 5.256 -10.749 -4.481 3 440 12 1436 1522 Permissive Selective 1180 1BKF GLU 31 T -4.615 4.3 -9.757 -4.753 2 735 55 1297 1293 Permissive Selective 1181 1BKF ASP 32 T -4.582 4.597 -9.744 -4.773 2 995 102 1171 1052 Permissive Inactive 1182 1BKF GLY 33 T -4.581 4.603 -9.747 -4.773 2 1117 259 1040 830 Permissive Inactive 1183 1BKF LYS 34 C -4.582 4.599 -9.743 -4.773 2 1147 346 917 655 Permissive Inactive 1184 1BKF LYS 35 E -4.623 4.558 -9.675 -4.795 2 1152 408 813 523 Permissive Inactive 1185 1BKF PHE 36 E -6.293 9.787 -9.596 -5.113 3 1189 630 740 429 Permissive Inactive 1186 1BKF ASP 37 E -8.355 9.443 -12.08 -4.931 5 1285 844 680 315 Selective Inactive 1187 1BKF SER 38 E -9.84 11.098 -13.5 -5.077 6 1423 1053 639 253 Selective Inactive 1188 1BKF SER 39 G -9.968 6.154 -16.517 -5.222 6 1442 1152 619 209 Selective Inactive 1189 1BKF ARG 40 G -7.787 3.739 -14.022 -4.796 3 1439 1198 623 187 Selective Inactive 1190 1BKF ASP 41 G -5.387 3.782 -10.058 -4.107 2 1433 1244 642 187 Selective Inactive 1191 1BKF LYS 42 G -5.377 3.843 -10.075 -4.107 2 1395 1283 660 187 Selective Inactive 1192 1BKF ASN 43 T -5.346 4.1 -10.037 -4.103 2 1311 1301 674 188 Selective Inactive 1193 1BKF LYS 44 T -5.346 4.113 -10.034 -4.103 2 1021 1262 690 192 Selective Inactive 1194 1BKF PRO 45 C -5.355 4.12 -9.971 -4.092 2 763 1234 711 195 Selective Inactive 1195 1BKF PHE 46 E -6.947 8.747 -9.73 -4.057 4 649 1107 753 200 Selective Inactive 1196 1BKF LYS 47 E -7.097 9.064 -9.329 -4.045 4 614 1024 805 210 Selective Inactive 1197 1BKF PHE 48 E -9.242 14.593 -9.645 -4.294 4 592 961 866 241 Selective Inactive 1198 1BKF MET 49 E -8.039 9.165 -11.497 -4.872 5 495 739 906 268 Selective Inactive 1199 1BKF LEU 50 E -6.867 8.058 -10.879 -4.874 3 376 529 951 332 Permissive Inactive 1200 1BKF GLY 51 T -5.145 6.012 -9.272 -4.567 2 237 329 984 397 Inactive Inactive 1201 1BKF LYS 52 T -5.112 6.188 -9.269 -4.551 2 208 235 1001 489 Inactive Inactive 1202 1BKF GLN 53 C -5.104 6.243 -9.268 -4.545 2 183 193 1001 586 Inactive Inactive 1203 1BKF GLU 54 C -5.107 6.232 -9.255 -4.542 2 141 153 1009 705 Inactive Inactive 1204 1BKF VAL 55 C -5.134 6.155 -9.184 -4.527 2 106 121 1023 850 Inactive Inactive 1205 1BKF ILE 56 C -6.7 9.575 -9.245 -4.231 4 100 105 1049 999 Inactive Inactive 1206 1BKF ARG 57 H -7.624 10.722 -9.36 -4.067 4 97 103 1091 1163 Inactive Gatekeeper 1207 1BKF GLY 58 H -8.867 11.403 -10.7 -4.316 4 97 93 1121 1375 Inactive Gatekeeper 1208 1BKF TRP 59 H -11.218 15.569 -11.794 -4.335 7 102 73 1148 1675 Inactive Gatekeeper 1209 1BKF GLU 60 H -12.312 13.242 -16.188 -5.148 8 114 70 1194 2047 Inactive Gatekeeper 1210 1BKF GLU 61 H -10.365 10.147 -13.633 -4.459 5 113 71 1234 2364 Inactive Gatekeeper 1211 1BKF GLY 62 H -9.631 11.434 -12.391 -4.461 7 115 77 1297 2768 Inactive Selective 1212 1BKF VAL 63 H -9.624 11.447 -12.415 -4.461 7 102 73 1338 3098 Inactive Selective 1213 1BKF ALA 64 H -9.616 11.443 -12.452 -4.463 7 90 67 1364 3347 Inactive Selective 1214 1BKF GLN 65 C -9.595 11.391 -12.565 -4.487 7 84 63 1392 3531 Inactive Selective 1215 1BKF MET 66 C -9.772 11.858 -12.256 -4.512 7 80 76 1417 3668 Inactive Selective 1216 1BKF SER 67 T -11.138 10.845 -15.707 -4.976 6 79 102 1421 3741 Inactive Selective 1217 1BKF VAL 68 T -11.221 10.47 -16.008 -5.06 6 69 107 1416 3773 Inactive Selective 1218 1BKF GLY 69 T -11.349 10.278 -16.167 -5.165 6 68 129 1384 3799 Inactive Selective 1219 1BKF GLN 70 E -12.272 10.711 -17.608 -5.361 8 82 141 1336 3817 Inactive Selective 1220 1BKF ARG 71 E -12.754 10.568 -18.092 -5.307 8 77 135 1295 3717 Inactive Selective 1221 1BKF ALA 72 E -12.348 14.121 -14.889 -4.752 8 63 131 1243 3476 Inactive Gatekeeper 1222 1BKF LYS 73 E -12.259 15.539 -13.934 -4.661 7 49 134 1171 3137 Inactive Gatekeeper 1223 1BKF LEU 74 E -11.427 14.834 -12.393 -4.082 7 52 278 1107 2816 Inactive Gatekeeper 1224 1BKF THR 75 E -9.137 11.295 -10.757 -3.995 4 55 420 1054 2414 Inactive Gatekeeper 1225 1BKF ILE 76 E -8.836 11.678 -10.612 -3.953 4 95 1141 1020 2062 Gatekeeper Gatekeeper 1226 1BKF SER 77 C -7.887 11.256 -9.52 -3.893 4 216 2293 1022 1769 Gatekeeper Gatekeeper 1227 1BKF PRO 78 G -7.844 11.587 -9.523 -3.943 4 347 3632 1046 1524 Gatekeeper Gatekeeper 1228 1BKF ASP 79 G -7.717 11.941 -9.579 -4.076 4 541 4801 1089 1315 Selective Gatekeeper 1229 1BKF TYR 80 G -7.754 12.139 -9.553 -4.149 4 984 6753 1136 1149 Selective Gatekeeper 1230 1BKF ALA 81 C -6.688 12.045 -9.775 -5.401 4 1750 9227 1198 994 Selective Inactive 1231 1BKF TYR 82 T -5.262 11.437 -8.441 -5.654 4 2366 11532 1291 842 Selective Permissive 1232 1BKF GLY 83 T -4.432 9.436 -7.794 -4.987 2 3366 13867 1374 676 Selective Permissive 1233 1BKF ALA 84 T -3.314 9.682 -6.312 -5.114 2 4357 15971 1460 589 Selective Permissive 1234 1BKF THR 85 T -2.362 5.465 -5.535 -3.881 1 5333 18043 1553 563 Selective Permissive 1235 1BKF GLY 86 T -1.804 4.809 -5.114 -3.671 1 6325 20204 1622 557 Selective Permissive 1236 1BKF VAL 87 B -1.363 6.326 -3.832 -3.526 1 7232 22219 1680 583 Selective Permissive 1237 1BKF PRO 88 T -1.338 6.464 -3.823 -3.524 1 7874 23964 1690 645 Selective Permissive 1238 1BKF GLY 89 T -1.343 6.479 -3.793 -3.521 1 8296 24521 1688 753 Selective Permissive 1239 1BKF ILE 90 T -1.448 6.74 -3.409 -3.431 1 8515 24155 1669 901 Selective Permissive 1240 1BKF ILE 91 B -1.712 7.715 -2.563 -3.256 1 8620 23405 1633 1037 Selective Permissive 1241 1BKF PRO 92 T -2.934 9.937 -4.604 -4.228 2 8702 22726 1587 1165 Selective Selective 1242 1BKF PRO 93 T -3.432 11.694 -6.122 -5.744 4 8296 20751 1538 1300 Selective Selective 1243 1BKF HIS 94 T -4.373 11.965 -7.131 -5.832 4 7573 18264 1490 1440 Selective Selective 1244 1BKF ALA 95 T -5.36 11.004 -7.391 -4.362 4 - - - - - - 1245 1BKF THR 96 C -5.693 10.347 -6.941 -3.81 4 - - - - - - 1246 1BKF LEU 97 E -7.939 12.881 -8.03 -3.573 4 - - - - - - 1247 1BKF VAL 98 E -9.555 14.015 -9.406 -3.682 4 - - - - - - 1248 1BKF PHE 99 E -12.037 17.596 -11.368 -4.085 7 - - - - - - 1249 1BKF ASP 100 E -13.95 17.203 -15.801 -4.798 8 - - - - - - 1250 1BKF VAL 101 E -13.748 19.382 -15.462 -5.703 8 - - - - - - 1251 1BKF GLU 102 E -12.018 18.44 -13.349 -5.936 8 - - - - - - 1252 1BKF LEU 103 E -9.197 15.89 -8.925 -4.466 7 - - - - - - 1253 1BKF LEU 104 E -6.363 11.337 -6.536 -3.593 4 - - - - - - 1254 1BKF LYS 105 E -6.363 11.337 -6.536 -3.593 4 - - - - - - 1255 1BKF LEU 106 E -6.363 11.337 -6.536 -3.593 4 - - - - - - 1256 1BKF GLU 107 C -6.363 11.337 -6.536 -3.593 4 - - - - - - 1257 1BKR LYS 2 H -5.514 3.77 -10.99 -3.91 2 - - - - - - 1258 1BKR SER 3 H -5.514 3.77 -10.99 -3.91 2 - - - - - - 1259 1BKR ALA 4 H -5.514 3.77 -10.99 -3.91 2 - - - - - - 1260 1BKR LYS 5 H -5.514 3.77 -10.99 -3.91 2 - - - - - - 1261 1BKR ASP 6 H -5.804 3.9 -11.498 -4.302 3 - - - - - - 1262 1BKR ALA 7 H -6.515 4.269 -12.53 -4.786 3 - - - - - - 1263 1BKR LEU 8 H -8.033 8.265 -13.373 -5.578 6 - - - - - - 1264 1BKR LEU 9 H -9.772 11.201 -14.835 -5.822 6 - - - - - - 1265 1BKR LEU 10 H -10.374 11.449 -13.997 -4.802 7 - - - - - - 1266 1BKR TRP 11 H -12.247 15.181 -15.743 -5.39 8 - - - - - - 1267 1BKR CYS 12 H -11.238 13.03 -15.583 -5.906 8 - - - - - - 1268 1BKR GLN 13 H -9.909 11.67 -13.973 -5.479 6 - - - - - - 1269 1BKR MET 14 H -6.64 9.51 -10.092 -5.065 3 2668 1302 1730 2832 Selective Selective 1270 1BKR LYS 15 H -6.6 9.718 -10.138 -5.083 3 2252 1294 1701 2747 Selective Selective 1271 1BKR THR 16 H -6.39 9.651 -10.084 -4.904 3 1858 1262 1648 2647 Selective Selective 1272 1BKR ALA 17 T -6.173 9.222 -10.211 -4.827 3 1512 1233 1592 2527 Selective Selective 1273 1BKR GLY 18 T -6.068 9.613 -10.041 -4.816 3 1222 1209 1521 2359 Selective Selective 1274 1BKR TYR 19 T -6.317 9.847 -10.013 -4.673 4 825 1137 1425 2175 Selective Permissive 1275 1BKR PRO 20 T -5.729 10.927 -8.334 -4.561 4 598 1062 1369 2126 Selective Permissive 1276 1BKR ASN 21 T -5.243 11.131 -7.798 -4.761 4 356 846 1320 2187 Selective Permissive 1277 1BKR VAL 22 T -5.266 11.277 -7.703 -4.774 4 225 686 1269 2379 Selective Selective 1278 1BKR ASN 23 C -5.291 11.262 -7.639 -4.774 4 118 545 1221 2706 Selective Selective 1279 1BKR ILE 24 C -5.297 11.249 -7.617 -4.774 4 21 329 1209 3212 Gatekeeper Selective 1280 1BKR HIS 25 C -5.518 11.095 -7.705 -4.891 4 19 161 1220 3968 Gatekeeper Selective 1281 1BKR ASN 26 T -7.392 9.584 -10.99 -4.972 3 18 139 1264 4855 Gatekeeper Selective 1282 1BKR PHE 27 T -9.576 13.724 -13.093 -5.542 7 20 129 1296 5745 Gatekeeper Selective 1283 1BKR THR 28 T -9.953 13.67 -13.338 -5.518 7 19 69 1304 6583 Gatekeeper Selective 1284 1BKR THR 29 G -10.129 13.04 -13.477 -5.483 7 28 38 1321 7431 Gatekeeper Selective 1285 1BKR SER 30 G -11.588 13.957 -14.914 -5.577 8 42 30 1330 8285 Gatekeeper Selective 1286 1BKR TRP 31 G -13.628 16.295 -17.172 -5.591 8 58 30 1357 8940 Gatekeeper Selective 1287 1BKR ARG 32 T -13.121 12.889 -17.623 -5.289 8 60 22 1385 9361 Inactive Selective 1288 1BKR ASP 33 T -12.442 14.941 -15.602 -5.368 8 70 4 1391 9522 Inactive Selective 1289 1BKR GLY 34 T -12.169 15.398 -15.371 -5.425 8 72 7 1389 9472 Inactive Selective 1290 1BKR MET 35 H -12.146 15.547 -15.316 -5.411 8 72 6 1366 9175 Inactive Selective 1291 1BKR ALA 36 H -12.046 16.024 -15.001 -5.321 8 74 6 1330 8692 Inactive Selective 1292 1BKR PHE 37 H -11.945 17.36 -14.085 -5.229 8 75 10 1272 8002 Inactive Selective 1293 1BKR ASN 38 H -11.696 17.225 -13.403 -5.025 7 75 11 1204 7158 Inactive Selective 1294 1BKR ALA 39 H -11.162 17.211 -12.247 -4.818 7 93 17 1132 6218 Inactive Selective 1295 1BKR LEU 40 H -10.858 17.457 -12.156 -4.998 7 97 20 1066 5273 Permissive Gatekeeper 1296 1BKR ILE 41 H -10.781 17.204 -12.379 -5.043 7 101 20 999 4357 Permissive Gatekeeper 1297 1BKR HIS 42 H -10.723 16.376 -12.829 -5.047 7 94 21 928 3418 Inactive Gatekeeper 1298 1BKR LYS 43 H -9.697 10.182 -13.928 -4.899 6 82 22 848 2463 Inactive Gatekeeper 1299 1BKR HIS 44 H -8.951 10.197 -12.667 -4.637 5 66 23 761 1669 Inactive Inactive 1300 1BKR ARG 45 C -8.592 10.785 -11.896 -4.444 5 67 24 673 1078 Inactive Inactive 1301 1BKR PRO 46 G -8.062 10.168 -11.761 -4.581 5 65 32 593 664 Gatekeeper Inactive 1302 1BKR ASP 47 G -8.061 10.181 -11.761 -4.582 5 68 31 530 374 Gatekeeper Inactive 1303 1BKR LEU 48 G -8.083 10.331 -11.635 -4.575 5 76 31 475 214 Gatekeeper Inactive 1304 1BKR ILE 49 C -7.815 10.411 -11.374 -4.653 5 101 31 426 121 Selective Inactive 1305 1BKR ASP 50 C -7.105 10.793 -10.358 -4.889 4 111 28 384 84 Permissive Inactive 1306 1BKR PHE 51 G -7.169 10.927 -10.233 -4.919 4 131 28 361 65 Permissive Inactive 1307 1BKR ASP 52 G -7.164 10.894 -10.279 -4.922 4 133 20 354 65 Permissive Inactive 1308 1BKR LYS 53 G -7.165 10.871 -10.286 -4.922 4 153 17 354 83 Permissive Inactive 1309 1BKR LEU 54 C -7.255 10.878 -10.202 -4.958 4 167 17 379 130 Permissive Inactive 1310 1BKR LYS 55 T -8.251 6.548 -14.004 -4.755 5 201 17 431 236 Permissive Inactive 1311 1BKR LYS 56 T -8.145 6.687 -13.958 -4.802 5 213 16 530 385 Permissive Inactive 1312 1BKR SER 57 T -8.027 7.122 -13.691 -4.782 5 223 15 618 585 Permissive Inactive 1313 1BKR ASN 58 T -8.025 7.149 -13.69 -4.789 5 224 15 729 862 Permissive Inactive 1314 1BKR ALA 59 H -8.066 7.125 -13.612 -4.775 5 211 8 852 1240 Permissive Inactive 1315 1BKR HIS 60 H -8.517 8.72 -13.365 -4.928 5 218 7 972 1706 Permissive Inactive 1316 1BKR TYR 61 H -8.89 8.89 -13.197 -4.831 5 212 7 1094 2202 Permissive Selective 1317 1BKR ASN 62 H -10.513 10.06 -15.589 -5.431 6 187 6 1211 2743 Permissive Selective 1318 1BKR LEU 63 H -11.737 13.444 -15.389 -5.308 8 176 5 1335 3241 Permissive Selective 1319 1BKR GLN 64 H -12.606 13.3 -17.076 -5.6 8 155 4 1422 3606 Permissive Selective 1320 1BKR ASN 65 H -13.441 13.032 -18.846 -5.7 8 135 4 1482 3856 Permissive Selective 1321 1BKR ALA 66 H -13.672 13.989 -18.309 -5.344 8 110 4 1514 4005 Permissive Selective 1322 1BKR PHE 67 H -13.73 14.603 -17.983 -5.304 8 94 5 1516 4072 Inactive Selective 1323 1BKR ASN 68 H -11.72 10.065 -16.699 -5.205 6 62 4 1481 4039 Inactive Selective 1324 1BKR LEU 69 H -9.841 11.004 -13.134 -4.734 7 50 4 1418 3966 Inactive Selective 1325 1BKR ALA 70 H -9.177 11.763 -12.446 -4.844 7 44 6 1369 3840 Inactive Selective 1326 1BKR GLU 71 H -6.934 9.566 -10.615 -5.143 3 46 6 1300 3617 Inactive Selective 1327 1BKR GLN 72 H -6.815 10.019 -10.492 -5.084 3 51 11 1217 3292 Inactive Selective 1328 1BKR HIS 73 H -6.58 10.753 -9.95 -4.938 4 40 12 1126 2883 Inactive Selective 1329 1BKR LEU 74 H -6.541 10.877 -9.961 -4.943 4 35 15 1039 2434 Inactive Gatekeeper 1330 1BKR GLY 75 C -6.143 10.616 -9.63 -4.921 4 32 20 962 1937 Inactive Inactive 1331 1BKR LEU 76 C -6.293 11.152 -9.294 -4.844 4 32 20 892 1477 Inactive Inactive 1332 1BKR THR 77 T -6.192 11.209 -9.285 -4.883 4 32 20 846 1139 Inactive Inactive 1333 1BKR LYS 78 T -6.282 11.079 -9.393 -4.932 4 32 43 816 897 Gatekeeper Inactive 1334 1BKR LEU 79 T -6.257 11.137 -9.345 -4.9 4 34 90 810 737 Gatekeeper Inactive 1335 1BKR LEU 80 C -6.541 11.825 -9.381 -4.78 4 33 121 815 631 Gatekeeper Inactive 1336 1BKR ASP 81 C -6.052 11.072 -8.669 -4.508 4 35 162 840 557 Gatekeeper Inactive 1337 1BKR PRO 82 H -6.149 10.973 -8.552 -4.402 4 41 208 847 482 Gatekeeper Inactive 1338 1BKR GLU 83 H -6.133 10.81 -8.64 -4.383 4 40 208 852 415 Gatekeeper Inactive 1339 1BKR ASP 84 H -6.152 10.623 -8.692 -4.367 4 42 215 866 370 Gatekeeper Inactive 1340 1BKR ILE 85 H -5.968 9.881 -8.755 -4.257 4 52 214 889 329 Gatekeeper Inactive 1341 1BKR SER 86 H -5.825 8.04 -9.245 -4.086 2 83 222 934 289 Gatekeeper Inactive 1342 1BKR VAL 87 T -5.322 7.233 -9.109 -4.088 2 137 243 988 269 Selective Inactive 1343 1BKR ASP 88 T -5.299 7.293 -9.169 -4.127 2 285 276 1034 264 Selective Inactive 1344 1BKR HIS 89 T -5.291 7.306 -9.2 -4.139 2 421 294 1056 271 Selective Inactive 1345 1BKR PRO 90 T -5.368 7.08 -9.241 -4.14 2 618 412 1071 312 Selective Permissive 1346 1BKR ASP 91 C -5.563 6.956 -9.292 -4.189 2 939 445 1073 414 Selective Permissive 1347 1BKR GLU 92 H -6.77 8.723 -11.121 -4.835 3 1277 422 1058 530 Selective Inactive 1348 1BKR LYS 93 H -7.182 8.857 -11.337 -4.532 5 1850 507 1036 655 Selective Inactive 1349 1BKR SER 94 H -7.647 9.299 -11.334 -4.294 5 2727 1092 1013 834 Selective Inactive 1350 1BKR ILE 95 H -7.858 9.958 -10.807 -4.169 4 3580 1629 1002 1051 Selective Inactive 1351 1BKR ILE 96 H -8.063 10.532 -10.073 -3.945 4 4285 1896 990 1253 Selective Inactive 1352 1BKR THR 97 H -8.076 10.534 -9.993 -3.926 4 - - - - - - 1353 1BKR TYR 98 H -10.582 16.621 -11.541 -4.395 7 - - - - - - 1354 1BKR VAL 99 H -10.611 16.735 -11.474 -4.398 7 - - - - - - 1355 1BKR VAL 100 H -10.631 16.315 -11.944 -4.576 7 - - - - - - 1356 1BKR THR 101 H -10.805 16.356 -12.045 -4.689 7 - - - - - - 1357 1BKR TYR 102 H -11.381 17.589 -12.481 -5.089 7 - - - - - - 1358 1BKR TYR 103 H -11.087 18.106 -13.057 -5.851 8 - - - - - - 1359 1BKR HIS 104 H -9.979 15.643 -12.637 -5.936 7 - - - - - - 1360 1BKR TYR 105 H -9.098 14.241 -11.481 -5.302 7 - - - - - - 1361 1BKR PHE 106 H -6.995 10.329 -8.968 -4.104 4 - - - - - - 1362 1BKR SER 107 H -6.995 10.329 -8.968 -4.104 4 - - - - - - 1363 1BKR LYS 108 C -6.995 10.329 -8.968 -4.104 4 - - - - - - 1364 1BKR MET 109 C -6.995 10.329 -8.968 -4.104 4 - - - - - - 1365 1BR9 CYS 1 C -5.939 3.111 -10.46 -3.28 1 - - - - - - 1366 1BR9 SER 2 C -5.939 3.111 -10.46 -3.28 1 - - - - - - 1367 1BR9 CYS 3 C -5.939 3.111 -10.46 -3.28 1 - - - - - - 1368 1BR9 SER 4 C -5.939 3.111 -10.46 -3.28 1 - - - - - - 1369 1BR9 PRO 5 C -6.437 4.401 -10.694 -3.737 2 - - - - - - 1370 1BR9 VAL 6 C -7.372 6.146 -11.346 -4.261 3 - - - - - - 1371 1BR9 HIS 7 C -9.509 9.972 -13.838 -5.553 6 - - - - - - 1372 1BR9 PRO 8 H -11.455 13.997 -15.254 -5.906 8 - - - - - - 1373 1BR9 GLN 9 H -12.11 15.645 -12.785 -4.537 7 - - - - - - 1374 1BR9 GLN 10 H -13.604 12.209 -17.301 -5.024 8 - - - - - - 1375 1BR9 ALA 11 H -11.577 10.904 -14.428 -4.385 7 - - - - - - 1376 1BR9 PHE 12 H -11.164 10.291 -14.948 -4.586 6 - - - - - - 1377 1BR9 CYS 13 H -9.473 7.152 -13.591 -4.207 5 334 1229 1157 1061 Inactive Inactive 1378 1BR9 ASN 14 H -8.956 8.828 -12.466 -4.072 5 320 858 1109 899 Inactive Inactive 1379 1BR9 ALA 15 T -8.884 9.287 -12.178 -3.969 5 333 655 1087 793 Inactive Inactive 1380 1BR9 ASP 16 T -8.887 9.305 -12.153 -3.964 5 353 524 1087 746 Inactive Inactive 1381 1BR9 VAL 17 E -8.889 9.342 -12.11 -3.953 5 357 389 1100 738 Inactive Inactive 1382 1BR9 VAL 18 E -9.144 10.662 -11.354 -3.829 4 337 271 1129 791 Inactive Inactive 1383 1BR9 ILE 19 E -10.079 13.234 -10.215 -3.281 7 337 258 1173 841 Inactive Inactive 1384 1BR9 ARG 20 E -11.086 15.77 -11.885 -4.013 7 347 229 1216 904 Inactive Inactive 1385 1BR9 ALA 21 E -10.384 12.702 -11.706 -3.764 7 385 239 1244 927 Inactive Inactive 1386 1BR9 LYS 22 E -9.824 12.748 -11.578 -4.181 7 440 213 1253 941 Inactive Permissive 1387 1BR9 ALA 23 E -8.867 10.047 -11.195 -3.895 5 485 225 1239 944 Inactive Inactive 1388 1BR9 VAL 24 E -7.024 9.56 -10.168 -4.765 4 563 237 1235 1021 Inactive Inactive 1389 1BR9 SER 25 E -6.947 9.386 -10.325 -4.719 4 560 232 1248 1096 Inactive Gatekeeper 1390 1BR9 GLU 26 E -6.479 8.569 -10.168 -4.642 3 561 219 1266 1179 Inactive Selective 1391 1BR9 LYS 27 E -6.465 8.523 -10.237 -4.644 3 579 395 1271 1252 Inactive Selective 1392 1BR9 GLU 28 E -6.367 8.153 -10.552 -4.699 3 578 639 1257 1303 Inactive Selective 1393 1BR9 VAL 29 E -6.16 6.878 -11.779 -5.255 3 560 937 1246 1342 Inactive Gatekeeper 1394 1BR9 ASP 30 E -5.5 6.693 -13.409 -7.304 3 539 1164 1219 1356 Inactive Gatekeeper 1395 1BR9 SER 31 E -4.672 5.982 -12.898 -7.575 3 538 1334 1184 1376 Gatekeeper Gatekeeper 1396 1BR9 GLY 32 E -4.085 5.44 -10.647 -5.962 3 542 1418 1160 1438 Gatekeeper Gatekeeper 1397 1BR9 ASN 33 E -2.846 4.238 -6.735 -4.155 1 522 1532 1147 1561 Gatekeeper Gatekeeper 1398 1BR9 ASP 34 T -1.583 4.047 -5.608 -4.244 1 477 1551 1154 1730 Gatekeeper Gatekeeper 1399 1BR9 ILE 35 T -1.53 4.098 -5.692 -4.23 1 401 1652 1176 1976 Gatekeeper Gatekeeper 1400 1BR9 TYR 36 T -1.53 4.1 -5.693 -4.23 1 343 1693 1217 2278 Gatekeeper Gatekeeper 1401 1BR9 GLY 37 T -1.534 4.094 -5.671 -4.228 1 323 1835 1244 2581 Gatekeeper Gatekeeper 1402 1BR9 ASN 38 C -1.602 4.036 -5.526 -4.205 1 298 1836 1261 2910 Gatekeeper Selective 1403 1BR9 PRO 39 E -3.004 4.326 -6.473 -3.895 1 280 1819 1283 3247 Gatekeeper Selective 1404 1BR9 ILE 40 E -4.485 6.29 -12.218 -7.345 3 246 1638 1297 3569 Gatekeeper Selective 1405 1BR9 LYS 41 E -5.094 6.708 -12.692 -7.794 3 261 1393 1301 3849 Gatekeeper Selective 1406 1BR9 ARG 42 E -9.417 10.449 -16.973 -8.208 6 270 1095 1267 4021 Inactive Selective 1407 1BR9 ILE 43 E -11.859 12.47 -15.896 -5.456 8 260 866 1238 4216 Inactive Gatekeeper 1408 1BR9 GLN 44 E -14.163 16.833 -17.163 -5.66 8 277 734 1208 4293 Inactive Gatekeeper 1409 1BR9 TYR 45 E -13.686 16.858 -16.056 -5.496 8 279 677 1183 4249 Inactive Gatekeeper 1410 1BR9 GLU 46 E -9.894 13.075 -11.667 -4.891 7 286 565 1152 4105 Inactive Gatekeeper 1411 1BR9 ILE 47 E -9.277 12.534 -11.586 -4.846 7 307 514 1119 3896 Inactive Gatekeeper 1412 1BR9 LYS 48 E -8.974 12.432 -11.851 -5.057 7 320 391 1107 3633 Inactive Gatekeeper 1413 1BR9 GLN 49 E -8.965 12.488 -11.88 -5.071 7 345 328 1101 3318 Inactive Gatekeeper 1414 1BR9 ILE 50 E -8.963 12.496 -11.888 -5.073 7 306 216 1109 2959 Inactive Gatekeeper 1415 1BR9 LYS 51 E -9.091 12.352 -11.994 -5.125 7 356 270 1146 2585 Inactive Gatekeeper 1416 1BR9 MET 52 E -9.359 12.684 -12.291 -5.29 7 464 567 1185 2206 Inactive Gatekeeper 1417 1BR9 PHE 53 E -8.663 10.902 -10.84 -4.381 4 554 801 1206 1829 Inactive Gatekeeper 1418 1BR9 LYS 54 E -8.133 8.026 -12.556 -4.638 5 785 1061 1252 1482 Inactive Selective 1419 1BR9 GLY 55 C -5.394 4.655 -9.319 -4.057 2 1036 1623 1314 1261 Gatekeeper Selective 1420 1BR9 PRO 56 C -5.364 4.846 -9.31 -4.045 2 1145 1836 1387 1034 Selective Permissive 1421 1BR9 GLU 57 C -5.346 4.955 -9.331 -4.051 2 1233 1912 1465 900 Selective Permissive 1422 1BR9 LYS 58 C -5.348 4.936 -9.326 -4.05 2 1347 2098 1540 850 Selective Permissive 1423 1BR9 ASP 59 C -5.351 4.93 -9.302 -4.046 2 1466 2392 1599 828 Selective Permissive 1424 1BR9 ILE 60 C -6.859 8.556 -9.475 -3.984 4 1583 2721 1640 827 Selective Permissive 1425 1BR9 GLU 61 C -7.431 8.639 -10.019 -4.254 4 1710 3133 1661 821 Selective Permissive 1426 1BR9 PHE 62 E -10.737 13.981 -12.992 -4.833 7 1905 3636 1686 822 Selective Permissive 1427 1BR9 ILE 63 E -10.801 15.056 -12.403 -4.786 7 1917 3889 1686 818 Selective Permissive 1428 1BR9 TYR 64 E -11.066 14.933 -12.518 -4.477 7 1884 4066 1670 786 Selective Permissive 1429 1BR9 THR 65 E -9.044 9.462 -10.709 -3.352 5 1783 4091 1622 748 Selective Permissive 1430 1BR9 ALA 66 C -7.437 6.822 -9.246 -2.756 2 1713 4146 1603 727 Selective Permissive 1431 1BR9 PRO 67 C -5.537 4.421 -7.779 -2.596 1 1452 4129 1566 724 Selective Permissive 1432 1BR9 SER 68 C -5.42 4.284 -8.169 -2.694 1 1200 3747 1513 686 Selective Permissive 1433 1BR9 SER 69 G -5.313 4.463 -8.566 -2.93 1 1105 3709 1460 639 Selective Permissive 1434 1BR9 ALA 70 G -5.286 4.548 -8.626 -2.961 1 1021 3777 1397 581 Gatekeeper Permissive 1435 1BR9 VAL 71 G -5.279 4.592 -8.642 -2.982 1 942 3668 1318 511 Gatekeeper Permissive 1436 1BR9 CYS 72 C -5.845 5.123 -10.147 -3.629 2 905 3497 1257 473 Gatekeeper Permissive 1437 1BR9 GLY 73 C -6.105 6.041 -10.255 -3.908 2 873 3275 1233 445 Gatekeeper Inactive 1438 1BR9 VAL 74 C -6.649 7.625 -9.652 -3.575 2 901 2932 1220 437 Gatekeeper Inactive 1439 1BR9 SER 75 C -6.697 9.255 -8.998 -3.666 4 878 2486 1209 458 Gatekeeper Inactive 1440 1BR9 LEU 76 C -6.292 9.792 -8.549 -4.171 4 955 2216 1221 461 Gatekeeper Inactive 1441 1BR9 ASP 77 C -5.536 6.496 -9.194 -4.17 2 1116 2001 1232 495 Selective Inactive 1442 1BR9 VAL 78 T -5.364 6.519 -9.277 -4.208 2 1258 1767 1266 560 Selective Permissive 1443 1BR9 GLY 79 T -5.327 6.532 -9.475 -4.307 2 1450 1535 1322 640 Selective Permissive 1444 1BR9 GLY 80 T -5.352 6.377 -9.52 -4.328 2 1613 1358 1395 733 Selective Permissive 1445 1BR9 LYS 81 T -5.442 5.868 -9.693 -4.328 2 1751 1256 1486 852 Permissive Permissive 1446 1BR9 LYS 82 C -6.019 6.829 -10.1 -4.6 3 2039 1461 1562 989 Selective Permissive 1447 1BR9 GLU 83 E -6.905 7.444 -12.048 -5.591 3 2456 1774 1631 1105 Selective Selective 1448 1BR9 TYR 84 E -11.484 14.366 -14.233 -5.252 8 2876 2160 1667 1184 Selective Selective 1449 1BR9 LEU 85 E -9.815 13.75 -9.917 -3.803 7 3157 2372 1699 1223 Selective Selective 1450 1BR9 ILE 86 E -8.947 12.483 -9.606 -3.665 4 3343 2552 1679 1214 Selective Selective 1451 1BR9 ALA 87 E -8.827 11.898 -10.185 -3.776 4 3396 2679 1647 1171 Selective Selective 1452 1BR9 GLY 88 E -8.119 8.179 -12.008 -4.385 5 3527 2733 1596 1103 Selective Selective 1453 1BR9 LYS 89 E -7.318 7.837 -12.264 -5.101 3 3552 2697 1546 1064 Selective Permissive 1454 1BR9 ALA 90 E -6.765 7.101 -11.921 -5.099 3 3497 2665 1490 1013 Selective Permissive 1455 1BR9 GLU 91 C -6.283 6.721 -11.658 -5.222 3 3458 2604 1437 948 Selective Permissive 1456 1BR9 GLY 92 T -6.252 6.847 -11.663 -5.23 3 3357 2572 1355 876 Selective Permissive 1457 1BR9 ASP 93 T -6.27 6.857 -11.629 -5.248 3 3240 2508 1255 782 Selective Permissive 1458 1BR9 GLY 94 T -6.35 6.732 -11.524 -5.234 3 3113 2465 1137 663 Selective Inactive 1459 1BR9 LYS 95 E -6.565 6.752 -11.455 -5.298 3 2836 2109 1023 528 Selective Inactive 1460 1BR9 MET 96 E -7.996 9.27 -11.823 -5.336 5 2410 1642 911 408 Selective Inactive 1461 1BR9 HIS 97 E -10.558 12.685 -13.896 -5.01 7 1963 1182 845 335 Permissive Inactive 1462 1BR9 ILE 98 C -9.226 10.871 -11.71 -4.458 5 1609 872 773 283 Permissive Inactive 1463 1BR9 THR 99 T -9.189 11.025 -11.771 -4.483 5 1328 574 729 279 Permissive Inactive 1464 1BR9 LEU 100 T -9.178 11.092 -11.765 -4.475 5 1111 400 689 306 Permissive Inactive 1465 1BR9 CYS 101 T -9.14 11.241 -11.702 -4.429 5 823 335 666 336 Inactive Inactive 1466 1BR9 ASP 102 T -9.09 11.772 -11.314 -4.317 4 693 355 631 379 Inactive Inactive 1467 1BR9 PHE 103 E -9.855 14.761 -10.666 -4.019 7 634 415 612 415 Inactive Inactive 1468 1BR9 ILE 104 E -9.396 15.541 -10.016 -4.338 7 544 408 578 432 Inactive Inactive 1469 1BR9 VAL 105 E -8.574 12.414 -10.035 -4.152 4 441 396 532 421 Inactive Inactive 1470 1BR9 PRO 106 E -8.249 13.006 -9.717 -4.334 4 381 394 502 404 Inactive Inactive 1471 1BR9 TRP 107 G -8.249 12.928 -9.817 -4.381 4 345 359 490 387 Inactive Inactive 1472 1BR9 ASP 108 G -6.928 8.053 -10.001 -4.22 4 310 334 470 370 Inactive Inactive 1473 1BR9 THR 109 G -6.863 8.156 -10.189 -4.29 4 303 306 473 368 Inactive Inactive 1474 1BR9 LEU 110 C -6.889 8.014 -10.196 -4.299 4 437 276 490 370 Inactive Inactive 1475 1BR9 SER 111 C -6.915 7.746 -10.236 -4.287 4 806 248 512 379 Inactive Inactive 1476 1BR9 THR 112 H -6.917 7.729 -10.23 -4.285 4 1330 233 537 374 Permissive Inactive 1477 1BR9 THR 113 H -8.155 9.583 -11.698 -4.881 5 1548 198 576 361 Permissive Inactive 1478 1BR9 GLN 114 H -11.353 9.205 -16.42 -4.961 6 1831 168 617 383 Permissive Inactive 1479 1BR9 LYS 115 H -11.357 9.327 -16.315 -4.926 6 2161 149 683 392 Permissive Inactive 1480 1BR9 LYS 116 H -9.298 8.2 -12.833 -4.318 5 2573 345 719 403 Permissive Inactive 1481 1BR9 SER 117 H -9.306 8.207 -12.78 -4.31 5 3066 614 776 455 Permissive Inactive 1482 1BR9 LEU 118 H -9.306 8.208 -12.78 -4.31 5 3366 797 868 564 Permissive Inactive 1483 1BR9 ASN 119 T -9.306 8.207 -12.779 -4.31 5 3738 990 954 722 Permissive Inactive 1484 1BR9 HIS 120 T -9.314 8.177 -12.744 -4.303 5 4083 1164 1041 893 Permissive Inactive 1485 1BR9 ARG 121 T -12.873 11.842 -16.866 -5.043 8 4403 1503 1140 1095 Selective Gatekeeper 1486 1BR9 TYR 122 G -12.125 11.947 -16.033 -5.44 8 4478 1803 1193 1212 Selective Gatekeeper 1487 1BR9 GLN 123 G -8.656 5.936 -14.067 -5.041 6 4339 2057 1214 1258 Selective Gatekeeper 1488 1BR9 MET 124 G -7.988 6.1 -14.367 -5.467 6 3955 2169 1219 1295 Selective Gatekeeper 1489 1BR9 GLY 125 G -7.552 5.037 -14.3 -5.29 6 3456 2473 1224 1332 Selective Gatekeeper 1490 1BR9 CYS 126 T -7.516 5.192 -14.274 -5.279 6 3232 2653 1207 1362 Selective Gatekeeper 1491 1BR9 GLU 127 T -7.509 5.232 -14.273 -5.274 6 2910 2668 1191 1351 Selective Gatekeeper 1492 1BR9 CYS 128 T -7.601 5.12 -14.31 -5.313 6 2556 2704 1161 1346 Selective Gatekeeper 1493 1BR9 LYS 129 E -7.855 4.577 -14.204 -5.121 3 2070 2451 1169 1350 Selective Gatekeeper 1494 1BR9 ILE 130 E -9.009 8.374 -13.965 -5.096 6 1543 2177 1189 1306 Selective Gatekeeper 1495 1BR9 THR 131 E -9.474 9.635 -14.174 -4.929 6 1233 2071 1196 1224 Selective Gatekeeper 1496 1BR9 ARG 132 E -8.29 9.472 -11.069 -4.172 5 861 2027 1201 1092 Gatekeeper Gatekeeper 1497 1BR9 CYS 133 C -3.943 4.761 -6.052 -3.059 1 514 1972 1206 956 Gatekeeper Inactive 1498 1BR9 PRO 134 C -2.666 4.306 -5.609 -3.353 1 208 1880 1196 788 Gatekeeper Inactive 1499 1BR9 MET 135 T -2.435 4.291 -5.62 -3.335 1 118 1624 1219 719 Gatekeeper Inactive 1500 1BR9 ILE 136 T -2.391 4.428 -5.622 -3.329 1 114 1506 1253 741 Gatekeeper Permissive 1501 1BR9 PRO 137 T -2.376 4.464 -5.652 -3.33 1 135 1510 1297 805 Gatekeeper Permissive 1502 1BR9 CYS 138 T -2.42 4.431 -5.609 -3.344 1 142 1290 1338 880 Gatekeeper Permissive 1503 1BR9 TYR 139 C -2.945 4.642 -5.629 -3.227 1 226 1289 1375 964 Inactive Permissive 1504 1BR9 ILE 140 C -3.76 6.001 -5.907 -3.204 1 368 1366 1411 1035 Gatekeeper Permissive 1505 1BR9 SER 141 C -4.466 5.82 -6.916 -3.34 1 547 1409 1439 1103 Gatekeeper Selective 1506 1BR9 SER 142 T -5.668 6.988 -9.138 -3.888 2 673 1449 1439 1152 Gatekeeper Selective 1507 1BR9 PRO 143 T -5.762 6.924 -9.034 -3.877 2 797 1470 1432 1212 Gatekeeper Selective 1508 1BR9 ASP 144 T -7.184 6.743 -10.621 -3.844 2 1041 1413 1402 1278 Selective Selective 1509 1BR9 GLU 145 E -8.805 7.274 -13.261 -4.564 5 1129 1273 1393 1366 Permissive Selective 1510 1BR9 CYS 146 E -11.093 7.545 -16.926 -5.172 6 1221 1167 1397 1494 Permissive Selective 1511 1BR9 LEU 147 E -12.801 10.125 -17.967 -5.447 8 1394 987 1398 1627 Permissive Selective 1512 1BR9 TRP 148 E -15.756 14.934 -20.993 -6.086 8 1495 964 1368 1660 Permissive Selective 1513 1BR9 MET 149 H -11.543 11.334 -15.723 -5.297 8 1502 840 1334 1613 Permissive Selective 1514 1BR9 ASP 150 H -11.138 11.032 -15.374 -5.047 6 1485 730 1308 1511 Permissive Selective 1515 1BR9 TRP 151 H -7.641 8.743 -9.883 -3.983 4 1460 662 1298 1438 Permissive Selective 1516 1BR9 VAL 152 H -6.668 7.471 -9.681 -4.001 2 1380 492 1298 1410 Permissive Selective 1517 1BR9 THR 153 H -6.421 7.248 -9.872 -4.014 2 1367 472 1317 1505 Permissive Selective 1518 1BR9 GLU 154 H -6.371 7.219 -10.089 -4.078 2 1321 448 1347 1732 Permissive Selective 1519 1BR9 LYS 155 C -6.008 6.861 -10.073 -4.19 2 1263 455 1399 2089 Permissive Selective 1520 1BR9 ASN 156 T -6.038 6.751 -10.121 -4.211 2 1188 466 1449 2533 Permissive Selective 1521 1BR9 ILE 157 T -6.231 6.592 -10.311 -4.29 3 972 445 1547 3042 Inactive Selective 1522 1BR9 ASN 158 T -6.399 6.519 -10.333 -4.373 3 974 466 1639 3549 Inactive Selective 1523 1BR9 GLY 159 T -6.452 6.484 -10.126 -4.333 3 932 462 1713 4023 Inactive Selective 1524 1BR9 HIS 160 H -8.525 7.914 -12.428 -4.695 5 855 404 1798 4538 Inactive Selective 1525 1BR9 GLN 161 H -10.98 10.095 -15.468 -5.217 6 890 434 1911 5254 Inactive Selective 1526 1BR9 ALA 162 H -12.04 10.597 -17.11 -5.423 8 1040 496 2014 5984 Inactive Selective 1527 1BR9 LYS 163 H -12.625 12.848 -17.203 -5.539 8 1252 758 2107 6503 Permissive Selective 1528 1BR9 PHE 164 H -12.741 15.025 -15.835 -5.23 8 1504 1074 2147 6860 Permissive Selective 1529 1BR9 PHE 165 C -12.432 14.462 -15.651 -5.119 8 1562 1173 2199 7030 Permissive Selective 1530 1BR9 ALA 166 E -12.405 14.256 -15.788 -5.105 8 1579 1230 2206 6989 Permissive Selective 1531 1BR9 CYS 167 E -12.119 11.794 -16.351 -4.914 8 1748 1417 2164 6732 Selective Selective 1532 1BR9 ILE 168 E -10.926 8.475 -15.446 -4.591 6 1794 1436 2068 6327 Selective Selective 1533 1BR9 LYS 169 E -8.886 5.06 -15.386 -5.144 6 1894 1474 1976 5840 Selective Selective 1534 1BR9 ARG 170 T -7.233 4.513 -11.908 -4.053 3 - - - - - - 1535 1BR9 SER 171 T -6.831 4.092 -12.19 -4.186 3 - - - - - - 1536 1BR9 ASP 172 T -6.826 4.095 -12.217 -4.19 3 - - - - - - 1537 1BR9 GLY 173 T -6.827 4.092 -12.214 -4.189 3 - - - - - - 1538 1BR9 SER 174 C -6.845 4.065 -12.117 -4.159 3 - - - - - - 1539 1BR9 CYS 175 E -7.241 3.676 -12.533 -4.33 5 - - - - - - 1540 1BR9 ALA 176 E -9.232 8.795 -14.312 -5.409 6 - - - - - - 1541 1BR9 TRP 177 E -7.918 12.085 -10.382 -5.339 4 - - - - - - 1542 1BR9 TYR 178 E -4.909 6.07 -7.807 -3.973 2 - - - - - - 1543 1BR9 ARG 179 C -1.521 3.686 -4 -3.169 1 - - - - - - 1544 1BR9 GLY 180 C -1.521 3.686 -4 -3.169 1 - - - - - - 1545 1BR9 ALA 181 C -1.521 3.686 -4 -3.169 1 - - - - - - 1546 1BR9 ALA 182 C -1.521 3.686 -4 -3.169 1 - - - - - - 1547 1BUO MET 6 C 3.301 0.865 -3.499 -5.374 1 - - - - - - 1548 1BUO GLY 7 C 3.301 0.865 -3.499 -5.374 1 - - - - - - 1549 1BUO MET 8 C 3.301 0.865 -3.499 -5.374 1 - - - - - - 1550 1BUO ILE 9 C 3.301 0.865 -3.499 -5.374 1 - - - - - - 1551 1BUO GLN 10 C 1.212 1.132 -3.137 -3.163 1 - - - - - - 1552 1BUO LEU 11 C 1.052 0.982 -2.754 -2.983 1 - - - - - - 1553 1BUO GLN 12 C 0.628 1.182 -2.209 -2.58 1 - - - - - - 1554 1BUO ASN 13 C -0.066 1.322 -2.493 -2.398 1 - - - - - - 1555 1BUO PRO 14 C -0.514 0.881 -2.654 -2.233 1 - - - - - - 1556 1BUO SER 15 H -1.364 1.734 -3.527 -2.474 1 - - - - - - 1557 1BUO HIS 16 H -1.969 2.845 -4.309 -3.058 1 - - - - - - 1558 1BUO PRO 17 H -2.546 2.873 -5.418 -3.536 1 - - - - - - 1559 1BUO THR 18 H -2.871 3.158 -5.455 -3.769 1 878 2537 1452 618 Selective Permissive 1560 1BUO GLY 19 H -6.586 4.702 -8.289 -1.86 1 887 2487 1330 567 Selective Permissive 1561 1BUO LEU 20 H -7.024 4.476 -8.996 -2.078 1 863 2238 1206 524 Selective Permissive 1562 1BUO LEU 21 H -7.893 5.911 -10.15 -2.926 2 788 2009 1086 482 Selective Permissive 1563 1BUO CYS 22 H -8.31 5.99 -10.768 -3.42 5 723 1735 975 454 Selective Permissive 1564 1BUO LYS 23 H -10.431 7.635 -14.646 -4.593 6 684 1503 871 430 Selective Inactive 1565 1BUO ALA 24 H -11.217 6.823 -14.255 -3.103 5 640 1299 794 393 Selective Inactive 1566 1BUO ASN 25 H -11.443 6.329 -15.405 -3.85 6 614 990 733 368 Selective Inactive 1567 1BUO GLN 26 H -11.446 6.319 -15.403 -3.855 6 578 643 700 345 Gatekeeper Inactive 1568 1BUO MET 27 H -11.61 7.956 -15.398 -4.308 6 505 335 702 325 Gatekeeper Inactive 1569 1BUO ARG 28 H -9.034 5.956 -12.71 -4.333 5 486 304 707 310 Gatekeeper Inactive 1570 1BUO LEU 29 H -6.033 5.312 -9.731 -4.753 3 424 247 738 314 Gatekeeper Inactive 1571 1BUO ALA 30 H -5.551 4.536 -7.819 -3.024 1 340 141 783 318 Gatekeeper Inactive 1572 1BUO GLY 31 T -5.546 4.535 -7.845 -3.023 1 349 140 813 329 Inactive Inactive 1573 1BUO THR 32 T -5.546 4.537 -7.849 -3.023 1 368 125 840 337 Inactive Inactive 1574 1BUO LEU 33 T -5.547 4.533 -7.837 -3.019 1 372 118 874 340 Inactive Inactive 1575 1BUO CYS 34 T -5.888 3.932 -6.378 -1.67 1 412 112 881 355 Inactive Inactive 1576 1BUO ASP 35 C -8.313 4.661 -11.118 -2.928 5 442 85 877 378 Inactive Inactive 1577 1BUO VAL 36 E -9.588 6.8 -12.254 -3.472 5 512 81 895 468 Inactive Inactive 1578 1BUO VAL 37 E -10.614 8.188 -13.22 -3.958 5 565 80 903 590 Inactive Inactive 1579 1BUO ILE 38 E -11.759 11.02 -13.851 -4.116 7 565 73 921 751 Inactive Inactive 1580 1BUO MET 39 E -10.924 9.232 -14.476 -4.887 6 550 62 944 890 Inactive Inactive 1581 1BUO VAL 40 E -9.292 7.73 -9.161 -1.879 4 594 55 946 1027 Permissive Inactive 1582 1BUO ASP 41 T -9.29 7.738 -9.18 -1.883 4 706 39 930 1185 Permissive Inactive 1583 1BUO SER 42 T -9.276 7.796 -9.256 -1.92 4 721 38 909 1339 Permissive Inactive 1584 1BUO GLN 43 T -9.27 7.87 -9.283 -1.955 4 701 35 905 1483 Permissive Gatekeeper 1585 1BUO GLU 44 E -9.3 7.825 -8.999 -1.79 4 661 35 894 1630 Permissive Gatekeeper 1586 1BUO PHE 45 E -11.068 11.527 -12.737 -3.972 7 647 35 885 1765 Permissive Gatekeeper 1587 1BUO HIS 46 E -11.125 11.701 -12.666 -4.08 7 613 30 876 1875 Permissive Gatekeeper 1588 1BUO ALA 47 E -11.542 13.085 -12.762 -4.62 7 572 27 905 1979 Inactive Gatekeeper 1589 1BUO HIS 48 C -12.732 14.436 -14.64 -5.093 8 538 27 944 2056 Inactive Gatekeeper 1590 1BUO ARG 49 H -12.47 12.945 -14.427 -4.677 7 467 25 967 2035 Inactive Selective 1591 1BUO THR 50 H -8.107 9.218 -5.173 -0.73 1 481 23 1000 1966 Inactive Selective 1592 1BUO VAL 51 H -8.061 9.407 -5.325 -0.806 1 699 60 986 1842 Permissive Selective 1593 1BUO LEU 52 H -7.96 9.562 -5.876 -1.167 4 947 84 969 1733 Permissive Selective 1594 1BUO ALA 53 H -7.639 8.859 -7.683 -2.387 4 1259 134 989 1641 Permissive Selective 1595 1BUO CYS 54 H -7.612 8.964 -7.889 -2.537 4 1509 233 1032 1537 Selective Selective 1596 1BUO THR 55 H -7.948 8.774 -9.968 -3.92 4 1830 254 1084 1430 Selective Permissive 1597 1BUO SER 56 C -7.985 8.578 -10.148 -4.062 4 2314 331 1121 1334 Selective Permissive 1598 1BUO LYS 57 H -8.09 8.232 -10.409 -4.249 4 2807 392 1176 1255 Selective Permissive 1599 1BUO MET 58 H -9.417 11.335 -12.209 -5.646 6 3344 553 1258 1222 Selective Permissive 1600 1BUO PHE 59 H -11.249 14.393 -11.46 -4.072 7 3797 628 1342 1199 Selective Permissive 1601 1BUO GLU 60 H -10.947 12.963 -10.727 -3.085 7 4093 633 1400 1144 Selective Permissive 1602 1BUO ILE 61 H -10.608 11.906 -10.27 -2.472 4 4401 646 1429 1081 Selective Permissive 1603 1BUO LEU 62 H -9.118 10.224 -8.991 -2.901 4 4656 713 1452 1053 Selective Permissive 1604 1BUO PHE 63 H -8.528 8.122 -10.212 -3.359 5 4875 774 1453 1041 Selective Permissive 1605 1BUO HIS 64 T -7.36 4.499 -11.704 -4.347 3 4811 743 1494 1078 Selective Permissive 1606 1BUO ARG 65 T -7.207 4.208 -11.056 -3.624 3 4674 797 1520 1151 Selective Permissive 1607 1BUO ASN 66 T -7.208 4.2 -11.058 -3.627 3 4390 809 1506 1214 Selective Permissive 1608 1BUO SER 67 C -7.23 3.978 -11.143 -3.653 3 4084 745 1458 1260 Selective Permissive 1609 1BUO GLN 68 C -7.273 3.765 -11.159 -3.656 3 3756 760 1389 1301 Selective Permissive 1610 1BUO HIS 69 E -8.074 3.398 -8.91 -1.228 1 3263 722 1318 1399 Selective Permissive 1611 1BUO TYR 70 E -10.46 13.338 -11.835 -4.38 7 2772 712 1242 1529 Selective Selective 1612 1BUO THR 71 E -9.215 14.356 -6.889 -2.655 4 2215 560 1143 1619 Selective Selective 1613 1BUO LEU 72 E -9.186 14.473 -6.916 -2.686 4 1768 525 1045 1761 Selective Selective 1614 1BUO ASP 73 T -9.161 14.426 -7.019 -2.723 4 1457 532 966 1965 Selective Gatekeeper 1615 1BUO PHE 74 T -9.179 14.408 -6.844 -2.626 4 1144 604 908 2226 Selective Gatekeeper 1616 1BUO LEU 75 T -9.185 14.363 -6.852 -2.629 4 877 563 849 2494 Selective Gatekeeper 1617 1BUO SER 76 C -10.269 13.902 -9.979 -3.731 7 619 604 800 2755 Selective Gatekeeper 1618 1BUO PRO 77 H -10.639 13.552 -10.503 -3.965 7 477 651 752 2956 Gatekeeper Gatekeeper 1619 1BUO LYS 78 H -12.174 11.366 -12.103 -2.522 7 367 575 717 3118 Gatekeeper Gatekeeper 1620 1BUO THR 79 H -12.231 10.917 -11.83 -2.223 7 306 515 691 3246 Gatekeeper Gatekeeper 1621 1BUO PHE 80 H -13.487 14.375 -13.012 -3.277 7 313 484 710 3373 Gatekeeper Gatekeeper 1622 1BUO GLN 81 H -15.139 15.236 -17.265 -4.985 8 303 446 741 3488 Gatekeeper Gatekeeper 1623 1BUO GLN 82 H -15.855 16.709 -18.356 -5.407 8 308 405 792 3493 Gatekeeper Gatekeeper 1624 1BUO ILE 83 H -14.411 18.446 -13.6 -4.608 7 322 352 874 3384 Gatekeeper Gatekeeper 1625 1BUO LEU 84 H -14.408 18.507 -13.573 -4.605 7 327 342 958 3251 Gatekeeper Gatekeeper 1626 1BUO GLU 85 H -14.383 18.441 -13.594 -4.534 7 326 302 1029 3061 Gatekeeper Selective 1627 1BUO TYR 86 H -14.051 17.783 -13.097 -3.878 7 341 287 1081 2818 Gatekeeper Selective 1628 1BUO ALA 87 H -10.702 11.862 -10.501 -3.342 4 324 200 1116 2533 Gatekeeper Selective 1629 1BUO TYR 88 H -9.169 14.073 -8.632 -4.223 4 310 173 1152 2248 Gatekeeper Selective 1630 1BUO THR 89 H -5.945 9.408 -7.495 -4.786 4 275 71 1191 1971 Inactive Selective 1631 1BUO ALA 90 C -5.278 8.421 -4.505 -2.348 1 240 18 1239 1729 Inactive Selective 1632 1BUO THR 91 C -5.212 8.387 -4.644 -2.334 1 225 16 1298 1496 Inactive Selective 1633 1BUO LEU 92 C -5.024 8.219 -4.974 -2.512 1 224 14 1352 1313 Inactive Permissive 1634 1BUO GLN 93 C -4.828 7.286 -5.851 -2.877 1 174 8 1389 1165 Inactive Permissive 1635 1BUO ALA 94 C -4.916 6.896 -5.656 -2.579 1 188 10 1438 1035 Inactive Permissive 1636 1BUO LYS 95 C -5.186 6.288 -7.152 -3.389 2 190 9 1441 970 Inactive Permissive 1637 1BUO ALA 96 G -5.249 6.083 -7.303 -3.521 2 175 10 1413 994 Inactive Permissive 1638 1BUO GLU 97 G -5.55 4.971 -8.257 -3.874 2 202 11 1354 1058 Inactive Permissive 1639 1BUO ASP 98 G -7.352 5.952 -11.614 -5.115 3 202 12 1311 1180 Inactive Permissive 1640 1BUO LEU 99 H -9.63 6.095 -10.63 -2.054 5 200 13 1255 1320 Inactive Permissive 1641 1BUO ASP 100 H -11.574 8.393 -14.672 -3.544 6 222 13 1212 1523 Inactive Selective 1642 1BUO ASP 101 H -11.988 8.957 -15.33 -4.03 6 265 14 1169 1737 Inactive Selective 1643 1BUO LEU 102 H -12.551 12.309 -14.121 -3.669 7 392 44 1116 1976 Inactive Selective 1644 1BUO LEU 103 H -11.546 13.174 -11.807 -3.787 7 435 47 1048 2204 Inactive Selective 1645 1BUO TYR 104 H -10.461 12.869 -11.566 -4.57 7 456 48 961 2429 Inactive Gatekeeper 1646 1BUO ALA 105 H -10.234 13.101 -10.197 -3.562 7 483 48 886 2565 Inactive Gatekeeper 1647 1BUO ALA 106 H -10.214 13.148 -10.211 -3.542 7 568 73 808 2626 Inactive Gatekeeper 1648 1BUO GLU 107 H -10.177 13.292 -10.241 -3.569 7 615 77 729 2679 Permissive Gatekeeper 1649 1BUO ILE 108 H -10.216 13.336 -10.175 -3.567 7 716 91 681 2717 Permissive Gatekeeper 1650 1BUO LEU 109 H -10.691 14.025 -8.554 -2.17 7 777 93 642 2701 Permissive Gatekeeper 1651 1BUO GLU 110 C -11.222 14.74 -11.088 -3.608 7 803 92 655 2688 Permissive Gatekeeper 1652 1BUO ILE 111 C -11.316 14.811 -11.219 -3.743 7 863 95 660 2602 Permissive Gatekeeper 1653 1BUO GLU 112 H -11.313 13.359 -12.214 -3.927 7 895 95 703 2512 Permissive Gatekeeper 1654 1BUO TYR 113 H -11.369 13.16 -12.298 -3.907 7 934 98 751 2349 Permissive Gatekeeper 1655 1BUO LEU 114 H -11.368 13.08 -12.373 -3.932 7 - - - - - - 1656 1BUO GLU 115 H -11.61 12.719 -13.491 -4.564 7 - - - - - - 1657 1BUO GLU 116 H -11.556 12.086 -13.775 -4.467 7 - - - - - - 1658 1BUO GLN 117 H -11.154 9.97 -13.639 -3.959 5 - - - - - - 1659 1BUO CYS 118 H -10.674 10.34 -12.114 -3.211 5 - - - - - - 1660 1BUO LEU 119 H -7.242 10.571 -11.127 -6.787 3 - - - - - - 1661 1BUO LYS 120 H -6.622 8.71 -8.405 -4.139 4 - - - - - - 1662 1BUO MET 121 H -6.338 8.443 -7.79 -3.543 2 - - - - - - 1663 1BUO LEU 122 H -5.191 6.321 -5.861 -2.661 1 - - - - - - 1664 1BUO GLU 123 H -3.606 4.056 -4.588 -2.532 1 - - - - - - 1665 1BUO THR 124 H -3.606 4.056 -4.588 -2.532 1 - - - - - - 1666 1BUO ILE 125 H -3.606 4.056 -4.588 -2.532 1 - - - - - - 1667 1BUO GLN 126 C -3.606 4.056 -4.588 -2.532 1 - - - - - - 1668 1BY2 ALA 0 C -2.992 4.051 -6.757 -3.524 1 - - - - - - 1669 1BY2 VAL 1 C -2.992 4.051 -6.757 -3.524 1 - - - - - - 1670 1BY2 ASN 2 T -2.992 4.051 -6.757 -3.524 1 - - - - - - 1671 1BY2 ASP 3 T -2.992 4.051 -6.757 -3.524 1 - - - - - - 1672 1BY2 GLY 4 T -3.826 4.849 -8.481 -4.44 2 - - - - - - 1673 1BY2 ASP 5 E -4.708 5.777 -9.798 -5.219 3 - - - - - - 1674 1BY2 MET 6 E -6.8 9.892 -11.977 -6.583 3 - - - - - - 1675 1BY2 ARG 7 E -9.804 10.753 -14.997 -5.657 6 - - - - - - 1676 1BY2 LEU 8 E -6.289 6.96 -10.308 -4.604 3 - - - - - - 1677 1BY2 ALA 9 E -5.463 4.514 -10.877 -4.532 3 - - - - - - 1678 1BY2 ASP 10 C -3.49 2.894 -8.667 -4.354 2 - - - - - - 1679 1BY2 GLY 11 T -3.416 2.978 -8.848 -4.394 2 - - - - - - 1680 1BY2 GLY 12 T -3.414 2.988 -8.858 -4.395 2 3003 5404 993 1114 Selective Gatekeeper 1681 1BY2 ALA 13 T -3.419 2.958 -8.847 -4.394 2 2970 5360 1013 1258 Selective Gatekeeper 1682 1BY2 THR 14 T -3.433 2.939 -8.791 -4.39 2 2967 5237 1043 1419 Selective Selective 1683 1BY2 ASN 15 T -4.671 3.67 -10.21 -4.674 2 2816 5187 1068 1578 Selective Selective 1684 1BY2 GLN 16 E -6.784 6.123 -11.773 -4.78 3 2619 5015 1084 1733 Selective Selective 1685 1BY2 GLY 17 E -8.474 7.732 -13.074 -4.857 5 2519 4875 1077 1894 Selective Selective 1686 1BY2 ARG 18 E -13.104 12.814 -18.301 -5.734 8 2331 4570 1080 2187 Selective Selective 1687 1BY2 VAL 19 E -13.482 14.274 -17.002 -5.292 8 2136 4200 1090 2455 Selective Selective 1688 1BY2 GLU 20 E -13.43 14.768 -16.746 -5.236 8 2050 3892 1094 2626 Selective Selective 1689 1BY2 ILE 21 E -10.433 16.217 -11.486 -4.967 7 2041 3731 1079 2777 Selective Selective 1690 1BY2 PHE 22 E -9.234 13.863 -11.082 -4.829 7 1964 3353 1052 2907 Selective Selective 1691 1BY2 TYR 23 E -8.647 14.616 -10.53 -5.069 7 1661 2766 1020 3035 Selective Selective 1692 1BY2 ARG 24 T -7.577 11.446 -10.605 -5.006 4 1163 1897 990 3029 Selective Gatekeeper 1693 1BY2 GLY 25 T -7.543 11.492 -10.718 -5.039 4 792 1353 972 2981 Selective Gatekeeper 1694 1BY2 GLN 26 E -7.547 11.461 -10.716 -5.04 4 695 1218 983 2924 Selective Gatekeeper 1695 1BY2 TRP 27 E -7.577 11.355 -10.702 -5.052 4 566 1092 995 2838 Gatekeeper Gatekeeper 1696 1BY2 GLY 28 E -7.64 10.928 -10.766 -5.034 4 471 840 1011 2734 Gatekeeper Gatekeeper 1697 1BY2 THR 29 E -9.213 12.324 -12.7 -5.569 7 457 741 1047 2640 Inactive Selective 1698 1BY2 VAL 30 E -10.973 13.295 -14.689 -5.221 8 423 675 1094 2551 Inactive Selective 1699 1BY2 CYS 31 B -11.244 12.088 -15.45 -5.227 8 418 619 1121 2316 Inactive Selective 1700 1BY2 ASP 32 T -11.51 10.42 -16.313 -5.196 6 391 565 1141 2034 Inactive Selective 1701 1BY2 ASN 33 T -12.564 11.445 -18.31 -5.539 8 353 484 1135 1824 Inactive Selective 1702 1BY2 LEU 34 T -10.379 13.226 -12.453 -4.646 7 262 221 1119 1566 Inactive Selective 1703 1BY2 TRP 35 T -10.341 13.196 -12.584 -4.653 7 213 108 1077 1310 Inactive Selective 1704 1BY2 ASP 36 C -9.679 10.018 -13.456 -4.461 5 176 68 1018 1040 Inactive Inactive 1705 1BY2 LEU 37 H -9.636 9.984 -13.561 -4.458 5 172 50 987 861 Inactive Inactive 1706 1BY2 THR 38 H -9.632 9.989 -13.572 -4.456 5 166 34 962 715 Inactive Inactive 1707 1BY2 ASP 39 H -9.818 8.762 -14.068 -4.391 5 160 34 926 592 Inactive Inactive 1708 1BY2 ALA 40 H -9.796 8.818 -14.046 -4.363 5 152 30 891 500 Inactive Inactive 1709 1BY2 SER 41 H -10.787 10.372 -14.834 -4.311 6 116 30 857 436 Inactive Inactive 1710 1BY2 VAL 42 H -10.723 10.782 -13.926 -3.872 7 102 30 812 367 Inactive Inactive 1711 1BY2 VAL 43 H -10.201 10.699 -13.167 -3.824 7 94 30 764 271 Inactive Inactive 1712 1BY2 CYS 44 H -8.882 7.725 -12.943 -4.1 5 57 21 717 197 Inactive Inactive 1713 1BY2 ARG 45 H -8.735 8.537 -12.639 -4.112 5 53 24 670 169 Inactive Inactive 1714 1BY2 ALA 46 H -8.609 9.387 -12.869 -4.499 5 42 26 634 150 Inactive Inactive 1715 1BY2 LEU 47 H -8.582 9.527 -12.92 -4.569 5 28 24 617 167 Inactive Inactive 1716 1BY2 GLY 48 C -8.546 9.738 -12.969 -4.683 5 22 28 621 196 Inactive Inactive 1717 1BY2 PHE 49 C -8.701 12.686 -12.595 -5.334 7 47 44 638 244 Inactive Inactive 1718 1BY2 GLU 50 C -7.521 10.442 -11.352 -5.302 3 49 72 656 281 Inactive Inactive 1719 1BY2 ASN 51 C -6.866 10.745 -9.909 -4.816 4 50 87 655 309 Inactive Inactive 1720 1BY2 ALA 52 E -6.666 11.016 -9.471 -4.571 4 54 122 668 345 Inactive Inactive 1721 1BY2 THR 53 E -5.901 10.615 -8.254 -4.373 4 60 158 693 379 Inactive Inactive 1722 1BY2 GLN 54 E -5.9 10.602 -8.261 -4.369 4 90 334 725 403 Inactive Inactive 1723 1BY2 ALA 55 E -5.928 10.619 -8.116 -4.31 4 171 1219 760 438 Gatekeeper Inactive 1724 1BY2 LEU 56 E -6.014 10.556 -7.954 -4.261 4 235 2103 816 488 Gatekeeper Inactive 1725 1BY2 GLY 57 T -6.073 10.435 -7.91 -4.291 4 280 2780 871 521 Gatekeeper Inactive 1726 1BY2 ARG 58 T -8.145 9.418 -11.653 -4.037 5 359 3445 941 560 Gatekeeper Inactive 1727 1BY2 ALA 59 T -7.627 10.144 -10.776 -4.367 4 418 4092 1024 674 Gatekeeper Permissive 1728 1BY2 ALA 60 T -7.32 10.428 -10.816 -4.809 4 481 4502 1114 783 Gatekeeper Permissive 1729 1BY2 PHE 61 T -7.318 10.532 -10.845 -4.873 4 518 4849 1203 911 Gatekeeper Permissive 1730 1BY2 GLY 62 T -5.185 5.078 -10.372 -4.908 3 588 5334 1298 1053 Gatekeeper Permissive 1731 1BY2 GLN 63 C -5.091 5.356 -10.342 -4.859 3 628 5627 1401 1197 Selective Selective 1732 1BY2 GLY 64 C -5.066 5.43 -10.33 -4.83 3 695 5868 1490 1306 Selective Selective 1733 1BY2 SER 65 C -5.072 5.378 -10.325 -4.826 3 729 5974 1548 1395 Selective Selective 1734 1BY2 GLY 66 C -5.072 5.374 -10.322 -4.826 3 775 6045 1557 1454 Selective Selective 1735 1BY2 PRO 67 C -6.041 7.22 -10.165 -4.482 3 787 5881 1561 1486 Selective Selective 1736 1BY2 ILE 68 E -6.817 7.886 -10.165 -4.242 4 756 4998 1571 1507 Selective Selective 1737 1BY2 MET 69 E -8.843 11.818 -11.328 -4.593 5 730 4118 1561 1494 Selective Selective 1738 1BY2 LEU 70 E -10.106 14.916 -11.583 -4.895 7 714 3443 1551 1500 Selective Selective 1739 1BY2 ASP 71 T -11.847 15.89 -15.364 -5.688 8 669 2799 1486 1491 Selective Selective 1740 1BY2 GLU 72 T -9.908 11.232 -14.018 -5.512 6 627 2170 1407 1385 Selective Selective 1741 1BY2 VAL 73 T -8.723 9.193 -13.619 -5.415 6 620 1793 1317 1267 Selective Selective 1742 1BY2 GLN 74 B -6.567 5.707 -12.371 -5.328 3 706 1516 1233 1115 Selective Selective 1743 1BY2 CYS 75 C -5.066 5.382 -10.375 -5.054 3 721 1065 1145 939 Selective Permissive 1744 1BY2 THR 76 T -4.058 4.89 -8.86 -4.541 2 732 757 1010 767 Permissive Inactive 1745 1BY2 GLY 77 T -4.057 4.892 -8.87 -4.542 2 692 528 913 644 Permissive Inactive 1746 1BY2 THR 78 T -4.057 4.891 -8.869 -4.542 2 655 390 848 531 Permissive Inactive 1747 1BY2 GLU 79 T -4.065 4.881 -8.819 -4.531 2 616 291 799 443 Permissive Inactive 1748 1BY2 ALA 80 C -4.175 4.791 -8.536 -4.426 2 583 278 767 394 Inactive Inactive 1749 1BY2 SER 81 C -7.222 7.763 -11.999 -4.701 5 538 275 744 360 Inactive Inactive 1750 1BY2 LEU 82 G -7.259 9.665 -10.939 -4.603 5 510 275 740 390 Inactive Inactive 1751 1BY2 ALA 83 G -6.859 8.38 -11.356 -4.731 3 519 327 763 442 Inactive Inactive 1752 1BY2 ASP 84 G -6.816 8.347 -11.485 -4.759 3 558 380 823 505 Inactive Inactive 1753 1BY2 CYS 85 C -6.779 7.742 -11.958 -4.904 3 601 409 878 589 Permissive Inactive 1754 1BY2 LYS 86 B -6.728 8.23 -11.735 -4.933 3 610 380 922 668 Permissive Inactive 1755 1BY2 SER 87 C -6.854 8.106 -11.9 -4.988 3 580 318 957 793 Inactive Inactive 1756 1BY2 LEU 88 C -7.142 9.619 -11.633 -5.021 3 597 308 999 911 Inactive Inactive 1757 1BY2 GLY 89 T -7.147 10.128 -11.34 -5 3 628 323 1046 1011 Permissive Permissive 1758 1BY2 TRP 90 T -6.851 12.213 -9.392 -4.817 4 814 415 1093 1076 Permissive Permissive 1759 1BY2 LEU 91 T -5.988 7.735 -10.311 -4.832 3 992 493 1136 1142 Permissive Selective 1760 1BY2 LYS 92 T -5.711 6.875 -10.613 -4.761 3 1311 643 1202 1205 Permissive Selective 1761 1BY2 SER 93 C -5.708 6.789 -10.677 -4.769 3 1476 766 1238 1269 Selective Selective 1762 1BY2 ASN 94 C -5.705 6.736 -10.718 -4.772 3 1608 851 1262 1290 Selective Selective 1763 1BY2 CYS 95 C -5.762 6.197 -10.904 -4.775 3 1715 917 1260 1272 Selective Selective 1764 1BY2 ARG 96 C -6.234 5.629 -11.309 -4.683 3 1755 881 1230 1225 Selective Selective 1765 1BY2 HIS 97 G -7.657 6.772 -13.25 -5.041 3 - - - - - - 1766 1BY2 GLU 98 G -8.185 6.92 -13.4 -5.076 3 - - - - - - 1767 1BY2 ARG 99 G -12.234 9.486 -18.563 -5.38 8 - - - - - - 1768 1BY2 ASP 100 B -11.443 10.501 -15.111 -4.319 6 - - - - - - 1769 1BY2 ALA 101 C -10.022 10.114 -13.201 -4.209 5 - - - - - - 1770 1BY2 GLY 102 E -9.997 10.252 -13.4 -4.352 5 - - - - - - 1771 1BY2 VAL 103 E -9.778 10.95 -14.048 -5.092 6 - - - - - - 1772 1BY2 VAL 104 E -8.301 9.337 -13.743 -6.007 6 - - - - - - 1773 1BY2 CYS 105 E -5.756 7.196 -10.408 -5.258 3 - - - - - - 1774 1BY2 THR 106 C -3.546 5.982 -6.632 -4.009 2 - - - - - - 1775 1BY2 ASN 107 C -3.546 5.982 -6.632 -4.009 2 - - - - - - 1776 1BY2 GLU 108 C -3.546 5.982 -6.632 -4.009 2 - - - - - - 1777 1BY2 THR 109 C -3.546 5.982 -6.632 -4.009 2 - - - - - - 1778 1BYQ PRO 11 C -0.056 0.187 -4.295 -3.124 1 - - - - - - 1779 1BYQ MET 12 C -0.056 0.187 -4.295 -3.124 1 - - - - - - 1780 1BYQ GLU 13 C -0.056 0.187 -4.295 -3.124 1 - - - - - - 1781 1BYQ GLU 14 C -0.056 0.187 -4.295 -3.124 1 - - - - - - 1782 1BYQ GLU 15 C -1.781 1.958 -5.478 -3.29 1 - - - - - - 1783 1BYQ GLU 16 C -2.757 3.479 -7.414 -4.454 2 - - - - - - 1784 1BYQ VAL 17 E -3.062 4.194 -7.369 -4.774 2 - - - - - - 1785 1BYQ GLU 18 E -5.05 6.84 -11.122 -6.32 3 - - - - - - 1786 1BYQ THR 19 E -5.361 7.868 -10.933 -6.565 3 - - - - - - 1787 1BYQ PHE 20 E -7.24 11.18 -9.923 -4.816 4 - - - - - - 1788 1BYQ ALA 21 E -7.676 11.241 -8.917 -4.106 4 - - - - - - 1789 1BYQ PHE 22 C -10.707 15.679 -10.714 -4.104 7 - - - - - - 1790 1BYQ GLN 23 C -11.498 12.283 -13.666 -3.889 7 522 19 1078 582 Inactive Inactive 1791 1BYQ ALA 24 H -10.243 10.528 -11.926 -3.599 5 474 16 985 485 Inactive Inactive 1792 1BYQ GLU 25 H -10.233 10.597 -11.97 -3.628 5 376 17 918 427 Inactive Inactive 1793 1BYQ ILE 26 H -10.243 10.596 -11.919 -3.617 5 366 29 858 382 Inactive Inactive 1794 1BYQ ALA 27 H -10.242 10.597 -11.924 -3.615 5 379 31 823 367 Inactive Inactive 1795 1BYQ GLN 28 H -10.282 10.574 -11.798 -3.606 5 406 36 806 370 Inactive Inactive 1796 1BYQ LEU 29 H -12.226 14.882 -14.421 -4.675 7 456 38 791 415 Inactive Inactive 1797 1BYQ MET 30 H -12.738 15.146 -13.796 -3.803 7 530 41 763 472 Inactive Inactive 1798 1BYQ SER 31 H -11.041 11.062 -11.79 -2.913 7 547 43 760 534 Inactive Inactive 1799 1BYQ LEU 32 H -9.577 11.538 -9.532 -2.859 4 592 76 760 615 Inactive Inactive 1800 1BYQ ILE 33 H -8.558 10.816 -8.959 -3.004 4 624 106 790 768 Inactive Inactive 1801 1BYQ ILE 34 H -8.505 10.847 -9.112 -3.045 4 644 148 807 1008 Inactive Inactive 1802 1BYQ ASN 35 H -8.424 10.723 -9.638 -3.268 4 643 175 858 1343 Inactive Inactive 1803 1BYQ THR 36 C -8.422 10.72 -9.666 -3.284 4 690 225 900 1745 Permissive Gatekeeper 1804 1BYQ PHE 37 C -8.503 10.599 -9.73 -3.352 4 798 358 969 2275 Permissive Gatekeeper 1805 1BYQ TYR 38 T -9.318 10.425 -12.382 -4.289 5 840 396 1056 2979 Permissive Gatekeeper 1806 1BYQ SER 39 T -9.565 10.038 -13.245 -4.711 5 883 433 1157 3801 Permissive Gatekeeper 1807 1BYQ ASN 40 T -10.788 11.164 -13.25 -4.122 7 947 471 1263 4769 Permissive Gatekeeper 1808 1BYQ LYS 41 T -11.727 12.918 -13.591 -4.362 7 1017 509 1370 5689 Permissive Selective 1809 1BYQ GLU 42 H -13.07 13.445 -16.029 -4.901 8 1173 602 1479 6445 Selective Selective 1810 1BYQ ILE 43 H -13.083 13.435 -15.984 -4.895 8 1350 751 1571 7003 Selective Selective 1811 1BYQ PHE 44 H -14.011 18.432 -16.359 -6.039 8 1451 835 1634 7372 Selective Selective 1812 1BYQ LEU 45 H -14.882 20.338 -15.147 -4.948 8 1417 817 1698 7548 Selective Selective 1813 1BYQ ARG 46 H -15.245 17.465 -17.259 -4.832 8 1382 789 1739 7587 Selective Selective 1814 1BYQ GLU 47 H -13.783 13.656 -15.277 -3.928 8 1371 750 1761 7493 Selective Selective 1815 1BYQ LEU 48 H -13.193 13.15 -14.8 -3.714 7 1366 729 1761 7248 Selective Selective 1816 1BYQ ILE 49 H -13.122 12.913 -15.039 -3.722 8 1399 702 1767 6900 Selective Selective 1817 1BYQ SER 50 H -12.791 10.288 -17.174 -4.348 8 1420 586 1744 6403 Selective Selective 1818 1BYQ ASN 51 H -12.656 9.777 -17.353 -4.285 6 1429 549 1681 5697 Permissive Selective 1819 1BYQ SER 52 H -12.601 9.607 -17.243 -4.185 6 1353 499 1598 4886 Permissive Selective 1820 1BYQ SER 53 H -12.359 9.252 -16.568 -3.906 6 1273 459 1519 3936 Permissive Selective 1821 1BYQ ASP 54 H -10.975 9.2 -13.065 -3.192 5 1167 416 1443 3024 Permissive Selective 1822 1BYQ ALA 55 H -10.894 9.807 -13.109 -3.342 5 991 324 1374 2262 Permissive Selective 1823 1BYQ LEU 56 H -10.89 9.894 -13.074 -3.34 5 749 175 1342 1683 Permissive Selective 1824 1BYQ ASP 57 H -10.774 10.042 -13.106 -3.361 5 650 92 1338 1276 Inactive Permissive 1825 1BYQ LYS 58 H -10.767 10.227 -13.118 -3.423 7 634 85 1338 1048 Inactive Permissive 1826 1BYQ ILE 59 H -11.203 12.474 -13.745 -4.045 7 635 110 1331 867 Inactive Permissive 1827 1BYQ ARG 60 H -10.931 11.32 -14.738 -4.549 7 659 135 1339 713 Inactive Permissive 1828 1BYQ TYR 61 H -9.441 9.764 -12.649 -4.296 5 636 235 1319 618 Inactive Permissive 1829 1BYQ GLU 62 H -8.088 8.795 -10.355 -3.718 4 560 355 1305 574 Inactive Permissive 1830 1BYQ THR 63 H -5.85 5.536 -7.335 -2.528 1 460 511 1302 554 Inactive Permissive 1831 1BYQ LEU 64 T -5.246 4.93 -7 -2.305 1 409 607 1309 548 Gatekeeper Permissive 1832 1BYQ THR 65 T -5.173 4.977 -7.403 -2.499 1 384 670 1322 535 Gatekeeper Permissive 1833 1BYQ ASP 66 T -5.118 5.182 -7.465 -2.554 1 387 745 1319 518 Gatekeeper Permissive 1834 1BYQ PRO 67 T -5.103 5.225 -7.485 -2.56 1 385 767 1333 508 Gatekeeper Permissive 1835 1BYQ SER 68 T -5.293 5.142 -7.579 -2.585 1 354 763 1355 482 Gatekeeper Permissive 1836 1BYQ LYS 69 T -5.986 6.407 -9.329 -3.505 2 339 759 1359 461 Gatekeeper Permissive 1837 1BYQ LEU 70 T -6.041 7.03 -9.412 -3.769 2 326 794 1335 442 Gatekeeper Permissive 1838 1BYQ ASP 71 C -6.02 5.648 -10.426 -4.023 2 357 849 1314 430 Gatekeeper Permissive 1839 1BYQ SER 72 C -5.754 6.281 -9.486 -3.883 2 341 867 1317 461 Gatekeeper Permissive 1840 1BYQ GLY 73 C -5.686 6.444 -9.412 -3.856 2 307 891 1331 512 Gatekeeper Permissive 1841 1BYQ LYS 74 C -5.688 6.444 -9.399 -3.852 2 307 828 1366 591 Gatekeeper Permissive 1842 1BYQ GLU 75 C -5.839 6.398 -8.958 -3.599 2 315 768 1373 667 Gatekeeper Permissive 1843 1BYQ LEU 76 C -6.071 7.471 -8.197 -3.521 2 293 706 1401 796 Gatekeeper Permissive 1844 1BYQ HIS 77 C -6.967 7.884 -8.943 -3.631 2 288 669 1455 943 Gatekeeper Permissive 1845 1BYQ ILE 78 E -9.24 11.676 -9.684 -3.451 4 287 665 1509 1143 Gatekeeper Permissive 1846 1BYQ ASN 79 E -11.141 15.164 -13.069 -4.854 7 290 648 1559 1364 Gatekeeper Permissive 1847 1BYQ LEU 80 E -11.822 17.525 -11.854 -3.932 7 376 752 1581 1560 Gatekeeper Selective 1848 1BYQ ILE 81 E -11.762 15.38 -12.885 -3.93 7 421 824 1567 1741 Gatekeeper Selective 1849 1BYQ PRO 82 E -10.773 9.083 -14.248 -4.08 6 469 872 1555 1865 Gatekeeper Selective 1850 1BYQ ASN 83 E -10.504 7.785 -15.084 -4.302 6 603 873 1542 1981 Gatekeeper Selective 1851 1BYQ LYS 84 G -10.294 7.867 -15.035 -4.356 6 609 816 1513 2094 Gatekeeper Selective 1852 1BYQ GLN 85 G -10.269 7.954 -15.103 -4.402 6 689 831 1452 2194 Selective Selective 1853 1BYQ ASP 86 G -10.263 8.091 -15.042 -4.402 6 701 784 1373 2319 Selective Selective 1854 1BYQ ARG 87 C -10.521 8.196 -15.355 -4.567 6 721 741 1295 2429 Selective Selective 1855 1BYQ THR 88 E -10.719 10.747 -13.952 -4.341 7 760 659 1224 2577 Selective Gatekeeper 1856 1BYQ LEU 89 E -11.301 14.993 -12.406 -4.128 7 814 594 1139 2681 Selective Gatekeeper 1857 1BYQ THR 90 E -11.465 16.469 -11.129 -3.721 7 832 610 1035 2776 Selective Gatekeeper 1858 1BYQ ILE 91 E -11.254 15.15 -11.539 -3.701 7 843 594 927 2812 Selective Gatekeeper 1859 1BYQ VAL 92 E -11.048 14.374 -11.841 -3.691 7 841 580 822 2831 Permissive Gatekeeper 1860 1BYQ ASP 93 E -10.259 11.642 -12.083 -3.971 7 747 470 726 2796 Permissive Gatekeeper 1861 1BYQ THR 94 C -9.508 12.174 -10.994 -4.061 4 705 425 651 2746 Permissive Gatekeeper 1862 1BYQ GLY 95 C -8.68 12.317 -11.557 -5.105 7 643 388 582 2732 Inactive Gatekeeper 1863 1BYQ ILE 96 C -8.68 12.336 -11.558 -5.111 7 482 352 518 2664 Inactive Gatekeeper 1864 1BYQ GLY 97 C -8.665 12.316 -11.584 -5.096 7 438 349 474 2583 Inactive Gatekeeper 1865 1BYQ MET 98 C -8.696 12.367 -11.579 -5.157 7 338 288 462 2482 Inactive Gatekeeper 1866 1BYQ THR 99 C -8.792 12.332 -11.808 -5.331 7 321 293 477 2330 Inactive Gatekeeper 1867 1BYQ LYS 100 H -10.16 12.017 -12.598 -4.212 7 290 294 500 2156 Inactive Gatekeeper 1868 1BYQ ALA 101 H -9.763 11.569 -11.783 -3.82 7 242 305 544 1926 Inactive Gatekeeper 1869 1BYQ ASP 102 H -9.868 11.574 -11.625 -3.7 7 179 336 585 1685 Inactive Gatekeeper 1870 1BYQ LEU 103 H -9.874 11.665 -11.533 -3.674 7 187 388 627 1434 Inactive Inactive 1871 1BYQ ILE 104 H -9.876 11.633 -11.497 -3.631 7 181 537 660 1187 Inactive Inactive 1872 1BYQ ASN 105 H -9.606 10.955 -12.469 -4.167 5 194 742 696 932 Gatekeeper Inactive 1873 1BYQ ASN 106 H -9.791 10.408 -13.354 -4.419 5 226 927 748 753 Gatekeeper Inactive 1874 1BYQ LEU 107 H -9.036 10.008 -10.815 -3.371 4 287 1019 820 621 Gatekeeper Inactive 1875 1BYQ GLY 108 C -8.395 8.434 -10.7 -3.286 5 355 1104 887 490 Gatekeeper Inactive 1876 1BYQ THR 109 C -7.801 7.391 -9.929 -2.871 4 382 1104 976 425 Gatekeeper Inactive 1877 1BYQ ILE 110 C -6.588 5.849 -10.459 -3.802 2 395 1112 1048 364 Gatekeeper Inactive 1878 1BYQ ALA 111 C -6.524 5.988 -10.426 -3.756 2 429 1118 1115 330 Gatekeeper Inactive 1879 1BYQ LYS 112 C -6.509 6.027 -10.429 -3.751 2 465 1109 1157 330 Gatekeeper Inactive 1880 1BYQ SER 113 C -6.271 6.572 -9.562 -3.469 2 501 1114 1207 355 Gatekeeper Inactive 1881 1BYQ GLY 114 H -6.3 6.574 -9.564 -3.511 2 553 1122 1258 427 Gatekeeper Inactive 1882 1BYQ THR 115 H -6.755 7.672 -8.428 -3.012 2 574 1043 1318 501 Gatekeeper Permissive 1883 1BYQ LYS 116 H -6.851 7.76 -8.123 -2.952 2 562 925 1388 591 Gatekeeper Permissive 1884 1BYQ ALA 117 H -6.89 7.733 -7.974 -2.923 2 569 748 1463 656 Gatekeeper Permissive 1885 1BYQ PHE 118 H -9.711 14.577 -9.965 -3.803 7 558 529 1547 732 Inactive Permissive 1886 1BYQ MET 119 H -10.118 14.761 -11.32 -4.18 7 524 331 1601 783 Inactive Permissive 1887 1BYQ GLU 120 H -7.852 8.752 -10.296 -3.78 4 452 216 1644 803 Inactive Permissive 1888 1BYQ ALA 121 H -7.054 8.147 -8.831 -3.101 4 386 131 1665 827 Inactive Permissive 1889 1BYQ LEU 122 H -6.177 7.814 -7.323 -2.767 1 357 137 1678 843 Inactive Permissive 1890 1BYQ GLN 123 H -5.514 5.577 -7.931 -2.904 1 325 144 1693 854 Inactive Permissive 1891 1BYQ ALA 124 C -5.365 6.066 -7.668 -2.856 1 289 181 1704 855 Inactive Permissive 1892 1BYQ GLY 125 C -5.365 6.065 -7.681 -2.866 1 243 217 1711 850 Inactive Permissive 1893 1BYQ ALA 126 C -5.391 5.982 -7.653 -2.867 1 197 213 1694 837 Inactive Permissive 1894 1BYQ ASP 127 C -5.527 5.535 -7.853 -2.918 1 134 202 1651 808 Inactive Permissive 1895 1BYQ ILE 128 G -6.217 7.839 -7.031 -2.803 1 105 211 1576 785 Inactive Permissive 1896 1BYQ SER 129 G -7.784 8.802 -11.157 -4.351 5 81 205 1470 773 Inactive Permissive 1897 1BYQ MET 130 G -8.042 11.954 -9.887 -4.324 4 54 239 1385 825 Inactive Permissive 1898 1BYQ ILE 131 G -7.641 11.698 -9.255 -4.037 4 27 366 1281 868 Inactive Permissive 1899 1BYQ GLY 132 G -7.276 10.973 -8.777 -3.702 4 30 574 1178 951 Inactive Inactive 1900 1BYQ GLN 133 G -7.194 11.006 -8.736 -3.651 4 36 705 1061 1080 Gatekeeper Inactive 1901 1BYQ PHE 134 G -7.217 11.084 -8.657 -3.657 4 44 811 959 1237 Gatekeeper Inactive 1902 1BYQ GLY 135 C -7.345 10.754 -8.422 -3.446 4 76 954 853 1423 Gatekeeper Inactive 1903 1BYQ VAL 136 C -7.56 10.462 -8.313 -3.319 4 88 968 756 1615 Gatekeeper Gatekeeper 1904 1BYQ GLY 137 G -8.379 11.401 -8.553 -3.342 4 106 956 652 1838 Gatekeeper Gatekeeper 1905 1BYQ PHE 138 G -10.667 17.082 -10.728 -4.465 7 267 1005 563 2065 Gatekeeper Gatekeeper 1906 1BYQ TYR 139 G -10.943 17.023 -11.619 -5.06 7 372 1021 488 2289 Gatekeeper Gatekeeper 1907 1BYQ SER 140 G -12.761 19.126 -12.152 -4.226 7 466 1012 436 2502 Gatekeeper Gatekeeper 1908 1BYQ ALA 141 G -12.472 19.492 -10.616 -3.595 7 573 1003 423 2715 Gatekeeper Gatekeeper 1909 1BYQ TYR 142 G -12.564 19.67 -10.435 -3.524 7 662 1000 441 2885 Selective Gatekeeper 1910 1BYQ LEU 143 G -11.324 15.964 -10.883 -3.859 7 707 951 465 3024 Selective Gatekeeper 1911 1BYQ VAL 144 C -10.681 14.518 -10.629 -3.546 7 756 794 511 3139 Selective Gatekeeper 1912 1BYQ ALA 145 E -10.461 14.133 -11.672 -4.089 7 840 583 570 3230 Selective Gatekeeper 1913 1BYQ GLU 146 E -10.397 14.08 -11.772 -4.115 7 994 448 634 3279 Permissive Gatekeeper 1914 1BYQ LYS 147 E -10.31 14.28 -11.554 -4.004 7 1242 336 723 3358 Permissive Gatekeeper 1915 1BYQ VAL 148 E -10.178 14.225 -10.929 -3.66 7 1520 200 843 3471 Permissive Gatekeeper 1916 1BYQ THR 149 E -10.364 14.392 -11.134 -3.764 7 1651 174 975 3676 Permissive Gatekeeper 1917 1BYQ VAL 150 E -10.546 14.77 -10.124 -3.218 7 1911 173 1112 3948 Permissive Gatekeeper 1918 1BYQ ILE 151 E -10.647 14.794 -9.746 -3.042 7 1951 94 1242 4089 Permissive Gatekeeper 1919 1BYQ THR 152 E -10.8 14.46 -9.741 -2.989 7 2116 72 1364 4170 Permissive Selective 1920 1BYQ LYS 153 E -11.522 10.071 -15.318 -4.541 6 2290 72 1472 4180 Permissive Selective 1921 1BYQ HIS 154 T -10.809 8.739 -15.222 -4.694 6 2388 71 1569 4164 Permissive Selective 1922 1BYQ ASN 155 T -10.691 8.685 -15.867 -5.026 6 2609 115 1645 4135 Permissive Selective 1923 1BYQ ASP 156 T -10.642 8.983 -15.829 -5.046 6 2950 255 1714 4064 Permissive Selective 1924 1BYQ ASP 157 T -10.65 8.975 -15.817 -5.052 6 3231 426 1752 4005 Permissive Selective 1925 1BYQ GLU 158 C -10.766 8.919 -15.874 -5.134 6 3253 581 1785 3931 Permissive Selective 1926 1BYQ GLN 159 E -11.454 9.899 -17.647 -6.092 8 3173 732 1799 3864 Selective Selective 1927 1BYQ TYR 160 E -12.12 12.524 -15.429 -5.266 8 3011 934 1800 3734 Selective Selective 1928 1BYQ ALA 161 E -13.831 14.401 -16.194 -4.634 8 2724 1000 1750 3486 Selective Selective 1929 1BYQ TRP 162 E -13.901 14.147 -15.65 -4.018 8 2617 1055 1651 3101 Selective Selective 1930 1BYQ GLU 163 E -9.643 7.412 -12.615 -3.671 5 2368 1054 1565 2586 Selective Selective 1931 1BYQ SER 164 E -7.079 5.502 -9.619 -3.123 2 2204 1068 1495 2212 Selective Selective 1932 1BYQ SER 165 C -4.949 5.785 -8.553 -4.111 2 2030 1183 1443 1915 Selective Selective 1933 1BYQ ALA 166 T -4.942 5.843 -8.546 -4.102 2 1859 1244 1412 1710 Selective Selective 1934 1BYQ GLY 167 T -4.942 5.845 -8.547 -4.102 2 1790 1511 1370 1561 Selective Selective 1935 1BYQ GLY 168 T -4.942 5.845 -8.546 -4.102 2 1518 1477 1339 1437 Selective Permissive 1936 1BYQ SER 169 E -4.958 5.855 -8.517 -4.129 2 1215 1412 1294 1352 Selective Permissive 1937 1BYQ PHE 170 E -7.537 10.576 -8.115 -3.38 4 986 1326 1277 1270 Selective Permissive 1938 1BYQ THR 171 E -9.487 10.818 -10.45 -3.528 4 893 1312 1247 1206 Selective Inactive 1939 1BYQ VAL 172 E -12.081 13.935 -16.198 -6.017 8 843 1374 1244 1180 Selective Inactive 1940 1BYQ ARG 173 E -9.33 10.147 -17.873 -9.172 6 823 1443 1228 1111 Selective Inactive 1941 1BYQ THR 174 E -7.74 7.66 -12.623 -5.318 3 845 1707 1230 1112 Selective Inactive 1942 1BYQ ASP 175 C -3.963 3.925 -9.99 -5.682 3 914 2021 1280 1172 Selective Permissive 1943 1BYQ THR 176 C -3.866 4.235 -10.127 -5.738 3 1092 2377 1319 1281 Selective Permissive 1944 1BYQ GLY 177 C -3.759 4.257 -9.759 -5.381 3 1214 2618 1355 1379 Selective Permissive 1945 1BYQ GLU 178 C -3.759 4.257 -9.758 -5.381 3 1261 2680 1373 1455 Selective Permissive 1946 1BYQ PRO 179 C -3.76 4.253 -9.756 -5.381 3 1283 2738 1378 1503 Selective Permissive 1947 1BYQ MET 180 C -4.49 5.054 -9.173 -4.637 2 1195 2482 1374 1499 Selective Permissive 1948 1BYQ GLY 181 C -4.827 4.358 -7.873 -3.566 2 1298 2494 1347 1474 Selective Permissive 1949 1BYQ ARG 182 C -9.289 9.046 -12.519 -4.243 5 1301 2425 1316 1433 Selective Permissive 1950 1BYQ GLY 183 E -9.568 11.829 -11.133 -3.957 4 1376 2352 1274 1396 Selective Permissive 1951 1BYQ THR 184 E -9.875 14.134 -9.68 -3.676 7 1562 2211 1250 1346 Selective Inactive 1952 1BYQ LYS 185 E -9.843 14.437 -9.681 -3.725 7 1663 1999 1227 1293 Selective Inactive 1953 1BYQ VAL 186 E -9.839 14.517 -9.631 -3.707 7 1772 1729 1215 1308 Selective Inactive 1954 1BYQ ILE 187 E -9.839 14.521 -9.627 -3.706 7 1821 1384 1214 1338 Selective Inactive 1955 1BYQ LEU 188 E -10.961 17.864 -10.407 -4.117 7 1774 1008 1205 1390 Selective Inactive 1956 1BYQ HIS 189 E -11.114 16.439 -12.04 -4.59 7 1666 622 1197 1459 Selective Inactive 1957 1BYQ LEU 190 E -11.006 11.523 -15.269 -5.228 6 1733 360 1194 1553 Permissive Gatekeeper 1958 1BYQ LYS 191 T -9.382 8.259 -13.698 -4.85 6 1852 183 1186 1686 Permissive Gatekeeper 1959 1BYQ GLU 192 T -8.579 8.02 -12.651 -4.613 5 1913 63 1182 1795 Permissive Gatekeeper 1960 1BYQ ASP 193 T -8.578 8.026 -12.654 -4.614 5 1980 51 1181 1956 Permissive Gatekeeper 1961 1BYQ GLN 194 T -8.58 8.016 -12.648 -4.614 5 1888 27 1207 2166 Permissive Gatekeeper 1962 1BYQ THR 195 G -8.586 7.998 -12.607 -4.602 5 1860 21 1230 2422 Permissive Gatekeeper 1963 1BYQ GLU 196 G -8.753 7.961 -12.296 -4.533 5 1762 9 1262 2685 Permissive Gatekeeper 1964 1BYQ TYR 197 G -12.073 14.645 -14.823 -5.18 8 1617 9 1277 3015 Permissive Selective 1965 1BYQ LEU 198 G -12.57 16.279 -15.09 -5.288 8 1493 8 1280 3239 Permissive Selective 1966 1BYQ GLU 199 C -12.548 15.749 -15.208 -5.166 8 1332 2 1273 3320 Permissive Gatekeeper 1967 1BYQ GLU 200 H -12.758 13.912 -15.508 -4.414 8 1265 0 1239 3275 Permissive Gatekeeper 1968 1BYQ ARG 201 H -12.596 12.125 -15.713 -4.064 8 1231 0 1196 3160 Permissive Gatekeeper 1969 1BYQ ARG 202 H -12.692 11.315 -16.198 -4.069 8 1157 0 1158 2994 Permissive Gatekeeper 1970 1BYQ ILE 203 H -11.215 14.219 -11.008 -3.43 7 943 0 1090 2785 Permissive Gatekeeper 1971 1BYQ LYS 204 H -9.698 10.912 -10.601 -3.345 4 690 0 1034 2537 Permissive Gatekeeper 1972 1BYQ GLU 205 H -9.573 10.709 -11.372 -3.657 4 517 4 968 2323 Inactive Gatekeeper 1973 1BYQ ILE 206 H -9.549 10.746 -11.441 -3.67 4 427 29 913 2072 Inactive Gatekeeper 1974 1BYQ VAL 207 H -9.54 10.737 -11.491 -3.676 4 404 42 847 1807 Inactive Gatekeeper 1975 1BYQ LYS 208 H -9.568 10.505 -11.582 -3.698 5 413 54 795 1505 Inactive Inactive 1976 1BYQ LYS 209 H -10.356 10.11 -14.534 -4.727 6 451 133 738 1203 Inactive Inactive 1977 1BYQ HIS 210 H -10.255 10.951 -14.355 -5.076 6 546 300 704 843 Inactive Inactive 1978 1BYQ SER 211 H -8.037 8.001 -10.83 -3.956 5 - - - - - - 1979 1BYQ GLN 212 T -7.927 8.6 -10.674 -3.957 5 - - - - - - 1980 1BYQ PHE 213 T -7.392 10.339 -8.834 -3.621 4 - - - - - - 1981 1BYQ ILE 214 T -6.893 11.991 -7.041 -3.341 4 - - - - - - 1982 1BYQ GLY 215 C -6.691 11.761 -7.607 -3.612 4 - - - - - - 1983 1BYQ TYR 216 C -6.754 12.191 -7.254 -3.576 4 - - - - - - 1984 1BYQ PRO 217 C -6.718 12.476 -7.208 -3.635 4 - - - - - - 1985 1BYQ ILE 218 E -6.513 13.581 -6.472 -3.766 4 - - - - - - 1986 1BYQ THR 219 E -6.188 12.118 -6.229 -3.463 4 - - - - - - 1987 1BYQ LEU 220 E -4.987 10.686 -5.663 -3.682 2 - - - - - - 1988 1BYQ PHE 221 C -4.987 10.686 -5.663 -3.682 2 - - - - - - 1989 1BYQ VAL 222 C -4.987 10.686 -5.663 -3.682 2 - - - - - - 1990 1BYQ GLU 223 C -4.987 10.686 -5.663 -3.682 2 - - - - - - 1991 1CBS PRO 1 C -10.672 10.527 -14.211 -4.411 7 - - - - - - 1992 1CBS ASN 2 C -10.672 10.527 -14.211 -4.411 7 - - - - - - 1993 1CBS PHE 3 C -10.672 10.527 -14.211 -4.411 7 - - - - - - 1994 1CBS SER 4 C -10.672 10.527 -14.211 -4.411 7 - - - - - - 1995 1CBS GLY 5 E -11.032 13.582 -14.491 -5.414 8 - - - - - - 1996 1CBS ASN 6 E -10.696 15.799 -12.617 -5.181 7 - - - - - - 1997 1CBS TRP 7 E -10.252 16.144 -11.575 -4.795 7 - - - - - - 1998 1CBS LYS 8 E -8.038 11.442 -9.83 -4.256 4 - - - - - - 1999 1CBS ILE 9 E -7.598 10.598 -10.14 -4.217 4 - - - - - - 2000 1CBS ILE 10 E -7.405 10.035 -10.658 -4.35 4 - - - - - - 2001 1CBS ARG 11 E -7.406 10.023 -10.66 -4.35 4 - - - - - - 2002 1CBS SER 12 E -7.408 9.996 -10.661 -4.35 4 - - - - - - 2003 1CBS GLU 13 E -7.651 9.322 -11.109 -4.406 5 453 193 1007 1315 Inactive Inactive 2004 1CBS ASN 14 T -8.154 8.652 -12.035 -4.708 5 465 169 1052 1274 Inactive Inactive 2005 1CBS PHE 15 H -10.939 14.069 -14.866 -5.584 8 461 162 1109 1275 Inactive Inactive 2006 1CBS GLU 16 H -11.171 15.199 -14.913 -5.781 8 465 130 1138 1215 Inactive Inactive 2007 1CBS GLU 17 H -10.88 15.308 -13.708 -5.257 7 444 100 1164 1091 Inactive Inactive 2008 1CBS LEU 18 H -10.928 16.008 -13.076 -5.025 7 434 87 1179 991 Inactive Inactive 2009 1CBS LEU 19 H -9.83 13.387 -11.932 -4.65 7 420 84 1156 880 Inactive Inactive 2010 1CBS LYS 20 H -8.536 11.109 -11.204 -4.489 5 363 75 1106 768 Inactive Inactive 2011 1CBS VAL 21 H -8.098 10.631 -11.054 -4.35 4 354 81 1062 681 Inactive Inactive 2012 1CBS LEU 22 H -7.796 9.526 -11.567 -4.422 5 312 86 1021 592 Inactive Inactive 2013 1CBS GLY 23 C -5.683 4.028 -10.658 -4.202 2 296 120 977 514 Inactive Inactive 2014 1CBS VAL 24 C -5.427 4.255 -10.506 -4.083 2 285 138 924 439 Inactive Inactive 2015 1CBS ASN 25 C -5.424 4.246 -10.526 -4.086 2 296 166 854 363 Inactive Inactive 2016 1CBS VAL 26 H -5.425 4.219 -10.533 -4.085 2 372 222 765 282 Inactive Inactive 2017 1CBS MET 27 H -5.429 4.194 -10.521 -4.082 2 501 591 671 184 Gatekeeper Inactive 2018 1CBS LEU 28 H -6.022 4.766 -10.342 -3.892 2 706 1134 565 88 Gatekeeper Inactive 2019 1CBS ARG 29 H -7.954 6.813 -13.244 -4.572 5 949 1730 465 42 Selective Inactive 2020 1CBS LYS 30 H -7.677 6.704 -11.337 -3.469 3 1152 2272 391 27 Selective Inactive 2021 1CBS ILE 31 H -7.708 6.893 -11.048 -3.335 5 1501 2942 328 15 Selective Inactive 2022 1CBS ALA 32 H -7.708 6.924 -11.006 -3.319 5 1699 3465 307 11 Selective Inactive 2023 1CBS VAL 33 H -7.714 6.854 -10.866 -3.2 5 1782 3894 315 9 Selective Inactive 2024 1CBS ALA 34 H -7.696 6.831 -10.941 -3.209 3 1832 4204 328 14 Selective Inactive 2025 1CBS ALA 35 H -8.712 8.206 -12.252 -3.452 5 1877 4420 360 18 Selective Inactive 2026 1CBS ALA 36 H -9.092 7.923 -13.363 -3.733 5 1896 4599 390 19 Selective Inactive 2027 1CBS SER 37 T -9.13 7.835 -13.562 -3.82 5 1933 4685 428 29 Selective Inactive 2028 1CBS LYS 38 T -9.313 7.958 -13.755 -3.933 5 1910 4756 481 51 Selective Inactive 2029 1CBS PRO 39 T -9.714 9.499 -13.633 -4.039 5 1908 4887 557 112 Selective Inactive 2030 1CBS ALA 40 E -9.723 9.833 -13.545 -4.106 5 1857 4546 657 280 Selective Inactive 2031 1CBS VAL 41 E -9.906 10.466 -13.243 -4.133 5 1700 4005 775 498 Selective Inactive 2032 1CBS GLU 42 E -10.525 12.617 -13.798 -4.673 7 1519 3409 890 724 Selective Inactive 2033 1CBS ILE 43 E -9.019 9.583 -13.729 -5.457 6 1378 2867 987 880 Selective Inactive 2034 1CBS LYS 44 E -7.909 6.572 -14.295 -5.663 6 1161 2198 1087 1002 Selective Inactive 2035 1CBS GLN 45 E -6.607 5.297 -12.856 -5.33 3 1078 1676 1174 1120 Selective Inactive 2036 1CBS GLU 46 E -6.368 6.68 -11.978 -5.164 3 1113 1248 1212 1219 Selective Permissive 2037 1CBS GLY 47 T -6.368 6.68 -11.977 -5.164 3 1089 930 1233 1305 Selective Permissive 2038 1CBS ASP 48 T -6.374 6.651 -11.958 -5.161 3 1050 706 1242 1381 Selective Permissive 2039 1CBS THR 49 E -6.413 6.692 -11.793 -5.124 3 1000 492 1236 1450 Selective Selective 2040 1CBS PHE 50 E -7.022 9.47 -10.206 -4.83 4 958 382 1222 1518 Selective Selective 2041 1CBS TYR 51 E -12.889 14.799 -16.683 -5.646 8 924 276 1203 1566 Permissive Selective 2042 1CBS ILE 52 E -12.004 14.606 -15.353 -5.611 8 821 65 1156 1543 Permissive Gatekeeper 2043 1CBS LYS 53 E -10.364 11.058 -15.078 -5.594 6 727 21 1077 1405 Inactive Gatekeeper 2044 1CBS THR 54 E -8.469 9.381 -11.95 -4.578 5 665 9 994 1227 Inactive Inactive 2045 1CBS SER 55 E -8.211 9.147 -12.242 -4.611 5 593 9 915 1049 Inactive Inactive 2046 1CBS THR 56 E -6.3 9.127 -9.372 -4.651 4 522 9 837 960 Inactive Inactive 2047 1CBS THR 57 T -6.249 8.985 -9.571 -4.64 4 369 7 756 914 Inactive Inactive 2048 1CBS VAL 58 T -6.219 8.98 -9.68 -4.651 4 251 6 675 863 Inactive Inactive 2049 1CBS ARG 59 E -6.23 8.976 -9.643 -4.655 4 129 4 635 823 Inactive Inactive 2050 1CBS THR 60 E -5.945 9.646 -9.495 -4.839 4 88 4 607 789 Inactive Inactive 2051 1CBS THR 61 E -6.386 10.246 -9.77 -5.047 4 71 5 579 799 Inactive Inactive 2052 1CBS GLU 62 E -6.45 10.576 -9.537 -5.108 4 55 8 570 821 Inactive Inactive 2053 1CBS ILE 63 E -6.497 10.713 -9.353 -5.126 4 18 5 570 829 Inactive Inactive 2054 1CBS ASN 64 E -6.498 10.727 -9.343 -5.126 4 19 5 569 861 Inactive Inactive 2055 1CBS PHE 65 E -8.549 13.354 -10.822 -4.834 7 20 5 598 917 Inactive Inactive 2056 1CBS LYS 66 E -5.804 9.489 -8.661 -4.83 4 55 8 633 979 Inactive Inactive 2057 1CBS VAL 67 T -5.787 9.583 -8.691 -4.833 4 69 11 668 1033 Inactive Inactive 2058 1CBS GLY 68 T -5.751 9.725 -8.784 -4.873 4 122 69 708 1103 Inactive Inactive 2059 1CBS GLU 69 E -5.751 9.722 -8.783 -4.873 4 146 144 757 1158 Inactive Inactive 2060 1CBS GLU 70 E -5.755 9.703 -8.772 -4.874 4 161 220 835 1280 Inactive Inactive 2061 1CBS PHE 71 E -7.199 12.236 -10.116 -5.33 4 186 304 919 1443 Inactive Gatekeeper 2062 1CBS GLU 72 E -7.426 12.015 -10.31 -5.522 4 194 329 1011 1667 Gatekeeper Gatekeeper 2063 1CBS GLU 73 E -10.191 13.462 -14.299 -6.12 8 202 353 1106 1939 Gatekeeper Gatekeeper 2064 1CBS GLN 74 E -10.281 10.34 -15.891 -5.953 6 204 363 1173 2004 Gatekeeper Gatekeeper 2065 1CBS THR 75 T -9.951 10.119 -15.32 -5.629 6 221 408 1231 2043 Gatekeeper Selective 2066 1CBS VAL 76 T -9.849 9.971 -15.358 -5.52 6 234 431 1298 2079 Gatekeeper Selective 2067 1CBS ASP 77 T -9.811 9.784 -15.466 -5.494 6 253 444 1364 2128 Gatekeeper Selective 2068 1CBS GLY 78 T -9.81 9.781 -15.472 -5.493 6 282 448 1429 2198 Gatekeeper Selective 2069 1CBS ARG 79 C -10.074 9.883 -15.277 -5.293 6 275 447 1497 2273 Gatekeeper Selective 2070 1CBS PRO 80 E -10.667 8.806 -16.236 -5.1 6 354 451 1578 2340 Gatekeeper Selective 2071 1CBS CYS 81 E -11.163 8.844 -17.164 -5.382 6 425 396 1637 2372 Gatekeeper Selective 2072 1CBS LYS 82 E -11.283 12.357 -15.297 -5.188 8 448 321 1712 2491 Gatekeeper Selective 2073 1CBS SER 83 E -10.994 13.057 -14.278 -4.855 7 494 251 1751 2532 Inactive Selective 2074 1CBS LEU 84 E -10.036 13.636 -12.044 -4.527 7 594 180 1759 2595 Inactive Selective 2075 1CBS VAL 85 E -9.672 12.969 -12.198 -4.512 7 721 179 1771 2652 Inactive Selective 2076 1CBS LYS 86 E -8.438 10.281 -11.871 -4.745 5 888 174 1759 2592 Permissive Selective 2077 1CBS TRP 87 E -8.133 9.852 -12.11 -4.795 5 1070 182 1792 2737 Permissive Selective 2078 1CBS GLU 88 E -7.376 9.197 -11.763 -5.074 3 1226 144 1828 2961 Permissive Selective 2079 1CBS SER 89 E -7.377 9.17 -11.784 -5.084 3 1271 123 1848 3179 Permissive Selective 2080 1CBS GLU 90 T -7.382 9.151 -11.783 -5.091 3 1295 118 1851 3350 Permissive Selective 2081 1CBS ASN 91 T -7.476 9.021 -11.775 -5.146 3 1304 120 1849 3489 Permissive Selective 2082 1CBS LYS 92 E -7.561 8.989 -11.669 -5.189 3 1351 138 1834 3631 Permissive Selective 2083 1CBS MET 93 E -10.164 12.17 -14.74 -5.82 6 1410 349 1802 3727 Selective Selective 2084 1CBS VAL 94 E -10.888 13.793 -15.201 -6.082 8 1431 560 1784 3808 Selective Selective 2085 1CBS CYS 95 E -11.535 12.628 -17.4 -6.434 8 1712 900 1741 3704 Selective Selective 2086 1CBS GLU 96 E -11.266 12.698 -17.398 -6.594 8 1839 1084 1671 3565 Selective Selective 2087 1CBS GLN 97 E -10.898 11.399 -16.485 -5.942 8 1850 1255 1632 3370 Selective Selective 2088 1CBS LYS 98 E -6.075 8.008 -9.361 -4.53 2 1824 1400 1583 3115 Selective Selective 2089 1CBS LEU 99 E -4.613 7.082 -7.965 -4.351 2 1820 1620 1564 2987 Selective Selective 2090 1CBS LEU 100 T -2.447 5.606 -6.092 -4.517 1 1800 1765 1542 2852 Selective Selective 2091 1CBS LYS 101 T -2.396 5.561 -6.253 -4.508 1 1816 1999 1501 2636 Selective Selective 2092 1CBS GLY 102 T -2.393 5.559 -6.277 -4.509 1 1891 2131 1468 2423 Selective Selective 2093 1CBS GLU 103 C -2.394 5.553 -6.27 -4.509 1 1890 2138 1437 2224 Selective Selective 2094 1CBS GLY 104 C -2.408 5.516 -6.23 -4.51 1 1915 2172 1400 2031 Selective Selective 2095 1CBS PRO 105 C -3.86 4.889 -8.032 -4.287 2 1897 2173 1380 1825 Selective Selective 2096 1CBS LYS 106 C -5.463 5.055 -10.203 -4.545 2 1814 1955 1354 1665 Selective Selective 2097 1CBS THR 107 E -7.95 7.138 -12.59 -4.748 5 1691 1741 1331 1553 Selective Selective 2098 1CBS SER 108 E -10.438 8.443 -15.572 -5.077 6 1412 1406 1332 1580 Selective Selective 2099 1CBS TRP 109 E -14.754 14.707 -19.94 -6.018 8 1331 1245 1391 1732 Selective Selective 2100 1CBS THR 110 E -13.909 16.653 -17.489 -6.199 8 1245 1064 1429 1871 Selective Selective 2101 1CBS ARG 111 E -10.853 13.786 -13.995 -5.665 8 1198 901 1453 1902 Selective Selective 2102 1CBS GLU 112 E -7.241 9.152 -11.033 -5.124 3 1079 663 1455 1838 Selective Selective 2103 1CBS LEU 113 E -4.633 5.972 -8.874 -4.725 2 961 503 1439 1734 Selective Selective 2104 1CBS THR 114 T -3.506 5.313 -8.274 -4.889 2 878 269 1433 1658 Permissive Selective 2105 1CBS ASN 115 T -3.503 5.327 -8.286 -4.89 2 855 149 1433 1602 Permissive Selective 2106 1CBS ASP 116 T -3.503 5.327 -8.286 -4.89 2 843 135 1448 1553 Permissive Selective 2107 1CBS GLY 117 T -3.504 5.32 -8.281 -4.889 2 797 95 1469 1515 Permissive Selective 2108 1CBS GLU 118 C -3.599 5.209 -8.176 -4.915 2 740 76 1478 1505 Inactive Selective 2109 1CBS LEU 119 E -6.713 8.336 -10.821 -5.094 3 675 78 1487 1498 Inactive Selective 2110 1CBS ILE 120 E -9.73 12.036 -12.922 -5.107 7 655 78 1519 1518 Inactive Selective 2111 1CBS LEU 121 E -11.316 16.685 -14.532 -5.809 8 606 73 1538 1495 Inactive Selective 2112 1CBS THR 122 E -11.311 14.907 -14.63 -5.274 8 497 44 1520 1334 Inactive Permissive 2113 1CBS MET 123 E -9.266 10.627 -12.527 -4.766 5 448 41 1507 1144 Inactive Permissive 2114 1CBS THR 124 E -6.584 8.628 -9.097 -4.026 4 394 49 1481 1099 Inactive Permissive 2115 1CBS ALA 125 E -5.386 7.658 -8.17 -3.876 2 - - - - - - 2116 1CBS ASP 126 T -5.365 7.627 -8.285 -3.895 2 - - - - - - 2117 1CBS ASP 127 T -5.334 7.679 -8.38 -3.92 2 - - - - - - 2118 1CBS VAL 128 E -5.335 7.676 -8.375 -3.919 2 - - - - - - 2119 1CBS VAL 129 E -5.411 7.548 -8.282 -3.905 2 - - - - - - 2120 1CBS CYS 130 E -6.807 7.918 -10.698 -4.402 3 - - - - - - 2121 1CBS THR 131 E -7.102 8.654 -10.17 -4.398 4 - - - - - - 2122 1CBS ARG 132 E -12.139 12.632 -16.151 -5.281 8 - - - - - - 2123 1CBS VAL 133 E -11.385 16.523 -12.621 -4.921 7 - - - - - - 2124 1CBS TYR 134 E -9.388 14.006 -10.025 -4.078 4 - - - - - - 2125 1CBS VAL 135 E -9.388 14.006 -10.025 -4.078 4 - - - - - - 2126 1CBS ARG 136 E -9.388 14.006 -10.025 -4.078 4 - - - - - - 2127 1CBS GLU 137 C -9.388 14.006 -10.025 -4.078 4 - - - - - - 2128 1CDY LYS 1 C -7.885 9.359 -10.628 -4.127 4 - - - - - - 2129 1CDY LYS 2 E -7.885 9.359 -10.628 -4.127 4 - - - - - - 2130 1CDY VAL 3 E -7.885 9.359 -10.628 -4.127 4 - - - - - - 2131 1CDY VAL 4 E -7.885 9.359 -10.628 -4.127 4 - - - - - - 2132 1CDY LEU 5 E -8.563 12.916 -11.183 -5.23 7 - - - - - - 2133 1CDY GLY 6 E -7.057 8.294 -11.61 -5.193 3 - - - - - - 2134 1CDY LYS 7 E -5.763 8.941 -9.627 -5.147 3 - - - - - - 2135 1CDY LYS 8 T -5.596 9.023 -9.578 -5.035 3 - - - - - - 2136 1CDY GLY 9 T -5.483 9.036 -9.636 -5.012 3 - - - - - - 2137 1CDY ASP 10 b -5.48 9.058 -9.632 -5.007 3 - - - - - - 2138 1CDY THR 11 C -5.514 9.166 -9.497 -4.992 3 - - - - - - 2139 1CDY VAL 12 E -6.032 9.365 -9.669 -4.783 4 - - - - - - 2140 1CDY GLU 13 E -6.458 9.459 -9.929 -4.882 3 728 104 1390 1184 Inactive Permissive 2141 1CDY LEU 14 E -7.8 12.601 -10.057 -4.706 4 656 96 1352 1112 Inactive Inactive 2142 1CDY THR 15 C -8.299 12.446 -10.482 -4.698 4 612 81 1344 1119 Inactive Inactive 2143 1CDY CYS 16 C -9.714 8.662 -15.225 -4.841 6 844 92 1334 1209 Permissive Inactive 2144 1CDY THR 17 B -8.807 5.829 -14.766 -4.692 6 1006 74 1347 1300 Permissive Inactive 2145 1CDY ALA 18 C -7.507 6.136 -12.793 -4.704 3 1167 80 1368 1386 Permissive Inactive 2146 1CDY SER 19 C -7.409 6.218 -12.923 -4.727 3 1310 87 1431 1491 Permissive Permissive 2147 1CDY GLN 20 C -7.348 6.384 -12.941 -4.74 3 1573 124 1469 1582 Permissive Permissive 2148 1CDY LYS 21 C -7.282 6.517 -12.933 -4.718 3 1864 161 1494 1665 Permissive Permissive 2149 1CDY LYS 22 C -7.321 6.586 -12.82 -4.721 3 2012 195 1507 1748 Permissive Permissive 2150 1CDY SER 23 C -7.946 7.335 -13.319 -4.748 5 2202 237 1532 1824 Permissive Permissive 2151 1CDY ILE 24 C -8.23 7.707 -13.103 -4.684 5 2366 310 1605 1996 Permissive Permissive 2152 1CDY GLN 25 C -8.611 7.642 -12.925 -4.543 5 2560 399 1686 2279 Permissive Selective 2153 1CDY PHE 26 E -12.461 13.945 -15.729 -5.148 8 2712 502 1776 2643 Permissive Selective 2154 1CDY HIS 27 E -13.404 14.687 -16.545 -5.392 8 2750 533 1823 2877 Permissive Selective 2155 1CDY TRP 28 E -14.878 14.58 -20.171 -6.322 8 2720 593 1819 2973 Permissive Selective 2156 1CDY LYS 29 E -11.694 7.374 -18.881 -5.967 6 2475 717 1798 2927 Selective Selective 2157 1CDY ASN 30 E -8.287 4.971 -14.615 -5.085 6 2344 915 1752 2882 Selective Selective 2158 1CDY SER 31 T -8.157 5.208 -14.812 -5.172 6 2145 962 1679 2841 Selective Selective 2159 1CDY ASN 32 T -8.101 5.644 -14.753 -5.209 6 1917 1020 1596 2790 Selective Selective 2160 1CDY GLN 33 T -8.098 5.69 -14.749 -5.21 6 1637 1040 1515 2722 Selective Selective 2161 1CDY ILE 34 E -8.079 5.945 -14.668 -5.209 6 1349 1049 1433 2657 Selective Selective 2162 1CDY LYS 35 E -8.797 8.27 -14.826 -5.508 6 1201 1031 1360 2537 Selective Gatekeeper 2163 1CDY ILE 36 E -9.303 11.187 -13.763 -5.48 6 1040 1126 1308 2437 Selective Gatekeeper 2164 1CDY LEU 37 E -9.361 10.227 -14.24 -5.375 6 906 1179 1227 2276 Selective Gatekeeper 2165 1CDY GLY 38 E -7.833 5.228 -14.284 -5.216 6 803 1275 1147 2020 Selective Inactive 2166 1CDY ASN 39 E -6.806 5.194 -12.976 -5.105 3 679 1246 1084 1697 Gatekeeper Inactive 2167 1CDY GLN 40 E -6.663 5.702 -12.786 -5.062 3 623 1236 1056 1477 Gatekeeper Inactive 2168 1CDY GLY 41 T -6.652 5.74 -12.803 -5.059 3 599 1210 1042 1325 Gatekeeper Inactive 2169 1CDY SER 42 T -6.656 5.726 -12.791 -5.056 3 502 1075 1036 1242 Gatekeeper Inactive 2170 1CDY PHE 43 E -6.736 5.854 -12.573 -5.035 3 435 928 1048 1201 Gatekeeper Inactive 2171 1CDY LEU 44 E -7.514 7.62 -12.279 -4.911 3 425 906 1064 1246 Gatekeeper Inactive 2172 1CDY THR 45 E -8.829 8.077 -14.19 -4.972 6 433 882 1099 1302 Gatekeeper Inactive 2173 1CDY LYS 46 E -8.205 6.233 -13.948 -4.925 3 464 872 1162 1386 Gatekeeper Inactive 2174 1CDY SER 47 T -7.338 6.41 -12.397 -4.545 5 558 874 1238 1563 Gatekeeper Inactive 2175 1CDY PRO 48 T -6.788 6.597 -11.864 -4.584 3 685 917 1317 1867 Gatekeeper Inactive 2176 1CDY SER 49 T -6.706 6.674 -11.971 -4.634 3 759 780 1380 2250 Gatekeeper Permissive 2177 1CDY LYS 50 T -6.704 6.679 -11.979 -4.636 3 992 656 1469 2732 Selective Selective 2178 1CDY LEU 51 T -6.748 6.735 -11.84 -4.617 3 1043 472 1543 3325 Permissive Selective 2179 1CDY ASN 52 G -6.946 6.836 -11.8 -4.69 3 1271 409 1615 4017 Permissive Selective 2180 1CDY ASP 53 G -7.869 7.274 -12.864 -4.989 3 1403 390 1705 4836 Permissive Selective 2181 1CDY ARG 54 G -9.736 8.076 -15.209 -5.256 6 1565 380 1797 5803 Permissive Selective 2182 1CDY ALA 55 E -11.551 11.007 -16.736 -5.57 8 1577 371 1891 6865 Permissive Selective 2183 1CDY ASP 56 E -12.43 9.705 -18.803 -5.349 8 1591 391 1961 7767 Permissive Selective 2184 1CDY SER 57 C -12.013 9.959 -17.159 -4.816 6 1611 469 2024 8487 Permissive Selective 2185 1CDY ARG 58 C -12.034 10.051 -16.979 -4.735 6 1618 646 2042 9193 Selective Selective 2186 1CDY ARG 59 H -11.592 11.351 -16.007 -4.822 8 1615 883 2020 9894 Selective Selective 2187 1CDY SER 60 H -11.032 11.655 -15.502 -5.159 6 1513 1000 1983 10390 Selective Selective 2188 1CDY LEU 61 H -10.852 11.974 -15.485 -5.326 8 1399 1132 1940 10804 Selective Selective 2189 1CDY TRP 62 H -10.825 12.168 -15.588 -5.489 8 1314 1308 1896 11072 Selective Selective 2190 1CDY ASP 63 H -10.632 12.047 -15.605 -5.522 8 1111 1446 1839 11133 Selective Selective 2191 1CDY GLN 64 C -10.617 12.24 -15.531 -5.548 8 1001 1543 1804 10984 Selective Selective 2192 1CDY GLY 65 C -10.819 12.547 -15.617 -5.61 8 772 1588 1754 10624 Gatekeeper Selective 2193 1CDY ASN 66 B -10.999 12.63 -15.567 -5.558 8 650 1591 1682 10048 Gatekeeper Selective 2194 1CDY PHE 67 C -11.089 13.196 -15.042 -5.392 8 533 1589 1611 9287 Gatekeeper Selective 2195 1CDY PRO 68 C -11.295 16.789 -12.768 -4.794 7 553 1575 1535 8366 Gatekeeper Selective 2196 1CDY LEU 69 E -11.18 17.312 -12.276 -4.778 7 536 1496 1482 7555 Gatekeeper Selective 2197 1CDY ILE 70 E -11.062 16.917 -12.535 -4.841 7 518 1383 1462 6879 Gatekeeper Selective 2198 1CDY ILE 71 E -10.987 16.444 -12.945 -4.939 7 485 1160 1469 6280 Gatekeeper Selective 2199 1CDY LYS 72 T -10.912 15.754 -13.487 -5.081 7 448 876 1494 5661 Gatekeeper Selective 2200 1CDY ASN 73 T -9.902 11.396 -13.801 -5.129 6 440 710 1527 5151 Gatekeeper Selective 2201 1CDY LEU 74 b -9.816 11.002 -14.061 -5.133 6 416 518 1567 4635 Inactive Selective 2202 1CDY LYS 75 C -9.538 10.176 -14.485 -5.228 6 398 342 1618 4168 Inactive Selective 2203 1CDY ILE 76 G -9.491 10.029 -14.637 -5.241 6 352 202 1675 3833 Inactive Selective 2204 1CDY GLU 77 G -9.436 9.749 -14.901 -5.298 6 394 106 1713 3615 Inactive Selective 2205 1CDY ASP 78 G -9.731 9.061 -15.656 -5.423 6 437 50 1727 3499 Inactive Selective 2206 1CDY SER 79 C -9.833 8.795 -15.785 -5.48 6 500 41 1743 3465 Inactive Selective 2207 1CDY ASP 80 E -10.444 8.271 -16.969 -5.671 6 532 15 1801 3566 Inactive Selective 2208 1CDY THR 81 E -10.783 7.81 -17.439 -5.872 6 535 6 1871 3839 Inactive Selective 2209 1CDY TYR 82 E -13.018 14.58 -17.731 -5.894 8 653 7 1919 4229 Inactive Selective 2210 1CDY ILE 83 E -12.379 14.258 -16.398 -5.706 8 680 7 1935 4468 Inactive Selective 2211 1CDY CYS 84 E -10.613 9.67 -16.019 -5.663 6 808 12 1920 4549 Permissive Selective 2212 1CDY GLU 85 E -10.461 9.622 -16.305 -5.734 6 933 12 1898 4657 Permissive Selective 2213 1CDY VAL 86 E -9.824 9.112 -16.101 -5.89 6 1223 36 1869 4792 Permissive Selective 2214 1CDY GLU 87 T -9.808 9.086 -16.197 -5.913 6 1425 61 1821 4874 Permissive Selective 2215 1CDY ASP 88 T -9.802 9.028 -16.27 -5.932 6 1604 89 1776 4914 Permissive Selective 2216 1CDY GLN 89 E -9.966 8.894 -16.359 -6.019 6 1710 99 1711 4878 Permissive Selective 2217 1CDY LYS 90 E -10.026 8.844 -16.265 -6.026 6 1717 113 1635 4783 Permissive Selective 2218 1CDY GLU 91 E -11.583 8.721 -19.722 -6.727 6 1687 140 1603 4730 Permissive Selective 2219 1CDY GLU 92 E -11.897 10.656 -18.723 -6.456 8 1637 203 1569 4676 Permissive Selective 2220 1CDY VAL 93 E -12.151 16.143 -14.616 -5.112 8 1617 343 1510 4480 Permissive Selective 2221 1CDY GLN 94 E -12.148 16.538 -14.305 -5.031 8 1648 441 1445 4134 Permissive Selective 2222 1CDY LEU 95 E -11.762 18.095 -12.71 -4.855 7 1594 543 1378 3634 Permissive Gatekeeper 2223 1CDY LEU 96 E -11.349 19.035 -11.789 -4.867 7 1591 586 1319 3217 Permissive Gatekeeper 2224 1CDY VAL 97 E -10.075 16.945 -10.242 -4.541 7 1496 627 1281 2862 Selective Gatekeeper 2225 1CDY PHE 98 E -9.311 17.08 -9.496 -4.646 7 1369 644 1227 2479 Selective Gatekeeper 2226 1CDY GLY 99 E -7.68 10.364 -10.62 -4.643 4 1077 623 1155 2069 Selective Inactive 2227 1CDY LEU 100 E -7.59 10.357 -10.796 -4.651 4 871 603 1085 1712 Permissive Inactive 2228 1CDY THR 101 E -7.4 9.34 -11.446 -4.688 5 700 577 998 1408 Inactive Inactive 2229 1CDY ALA 102 E -7.177 8.468 -11.863 -4.725 5 578 568 930 1159 Inactive Inactive 2230 1CDY ASN 103 T -6.988 7.771 -12.162 -4.759 3 498 552 891 973 Inactive Inactive 2231 1CDY SER 104 T -7.182 6.927 -12.778 -4.804 3 458 525 853 764 Inactive Inactive 2232 1CDY ASP 105 T -7.221 6.694 -12.855 -4.811 3 427 462 818 585 Inactive Inactive 2233 1CDY THR 106 T -7.355 6.7 -12.777 -4.817 3 365 321 780 461 Inactive Inactive 2234 1CDY HIS 107 E -7.687 6.68 -12.835 -4.832 3 269 221 754 381 Inactive Inactive 2235 1CDY LEU 108 E -8.558 9.493 -12.703 -4.662 5 173 117 728 330 Inactive Inactive 2236 1CDY LEU 109 T -7.829 7.875 -12.583 -4.761 5 142 85 717 307 Inactive Inactive 2237 1CDY GLN 110 T -7.821 7.924 -12.596 -4.779 5 214 366 716 324 Inactive Inactive 2238 1CDY GLY 111 T -7.809 7.991 -12.626 -4.794 5 444 1065 739 375 Gatekeeper Inactive 2239 1CDY GLN 112 b -7.816 7.971 -12.608 -4.794 5 630 1765 790 459 Gatekeeper Inactive 2240 1CDY SER 113 C -7.949 7.598 -12.695 -4.83 5 872 2515 850 553 Selective Inactive 2241 1CDY LEU 114 E -9.503 11.173 -13.842 -5.309 6 1438 3818 922 653 Selective Inactive 2242 1CDY THR 115 E -10.065 11.882 -14.277 -5.552 6 1907 5104 1004 759 Selective Inactive 2243 1CDY LEU 116 E -11.232 14.462 -14.679 -5.365 8 2411 6480 1073 838 Selective Inactive 2244 1CDY THR 117 E -11.338 13.809 -14.949 -5.158 8 2744 7762 1098 862 Selective Inactive 2245 1CDY LEU 118 E -9.649 12.02 -12.214 -4.647 7 3101 9203 1127 851 Selective Inactive 2246 1CDY GLU 119 E -6.775 8.031 -10.606 -4.722 3 3572 10698 1140 837 Selective Inactive 2247 1CDY SER 120 C -5.429 7.245 -9.349 -4.598 2 4155 12286 1141 818 Selective Inactive 2248 1CDY PRO 121 T -3.913 5.873 -7.363 -4.03 2 4600 14044 1156 807 Selective Inactive 2249 1CDY PRO 122 T -3.78 5.85 -7.561 -4.044 2 4724 14948 1159 802 Selective Inactive 2250 1CDY GLY 123 T -3.778 5.852 -7.574 -4.045 2 4672 15133 1147 798 Selective Inactive 2251 1CDY SER 124 T -3.782 5.838 -7.554 -4.04 2 4465 14640 1155 786 Selective Inactive 2252 1CDY SER 125 C -3.816 5.76 -7.456 -4.008 2 4306 14261 1166 769 Selective Inactive 2253 1CDY PRO 126 C -4.72 5.758 -8.376 -4.092 2 4081 13746 1171 762 Selective Inactive 2254 1CDY SER 127 E -7.142 6.505 -11.362 -4.302 3 3517 12570 1197 775 Selective Inactive 2255 1CDY VAL 128 E -9.749 9.931 -12.948 -3.99 5 3064 11558 1199 790 Selective Inactive 2256 1CDY GLN 129 C -10.705 10.314 -14.234 -4.168 6 2655 10788 1189 858 Selective Inactive 2257 1CDY CYS 130 C -11.427 11.147 -14.921 -4.593 7 2405 10013 1211 956 Selective Inactive 2258 1CDY ARG 131 B -12.711 8.535 -19.467 -5.294 6 2102 8997 1198 1038 Selective Inactive 2259 1CDY SER 132 T -9.352 5.93 -15.105 -4.789 6 1672 7978 1204 1122 Selective Inactive 2260 1CDY PRO 133 T -8.245 5.374 -14.511 -4.968 6 1123 6803 1203 1170 Selective Inactive 2261 1CDY ARG 134 T -8.17 5.483 -14.636 -4.998 6 723 5176 1197 1186 Gatekeeper Inactive 2262 1CDY GLY 135 T -7.178 6.055 -12.936 -4.978 3 651 4381 1179 1175 Gatekeeper Inactive 2263 1CDY LYS 136 C -7.024 5.961 -13.047 -4.944 3 632 3891 1163 1139 Gatekeeper Inactive 2264 1CDY ASN 137 B -6.672 6.081 -12.571 -4.869 3 617 3672 1130 1094 Gatekeeper Inactive 2265 1CDY ILE 138 C -6.652 6.129 -12.506 -4.831 3 598 3349 1083 1030 Gatekeeper Inactive 2266 1CDY GLN 139 C -5.863 5.259 -11.608 -4.78 3 611 3111 1039 953 Gatekeeper Inactive 2267 1CDY GLY 140 B -5.848 5.401 -11.508 -4.754 3 648 2987 967 855 Gatekeeper Inactive 2268 1CDY GLY 141 T -5.862 5.426 -11.454 -4.752 3 638 2712 913 748 Gatekeeper Inactive 2269 1CDY LYS 142 T -5.936 5.322 -11.374 -4.749 3 540 2106 872 607 Gatekeeper Inactive 2270 1CDY THR 143 E -5.951 5.312 -11.33 -4.754 3 462 1599 817 481 Gatekeeper Inactive 2271 1CDY LEU 144 E -7.103 7.491 -11.521 -4.702 3 424 1174 785 384 Gatekeeper Inactive 2272 1CDY SER 145 E -8.539 9.866 -12.53 -4.676 5 371 698 749 307 Gatekeeper Inactive 2273 1CDY VAL 146 E -9.149 10.56 -13.034 -4.439 5 336 285 760 320 Inactive Inactive 2274 1CDY SER 147 T -9.082 10.387 -13.128 -4.461 5 285 157 792 448 Inactive Inactive 2275 1CDY GLN 148 T -9.32 9.799 -13.834 -4.526 5 226 37 864 720 Inactive Inactive 2276 1CDY LEU 149 b -9.431 9.727 -13.942 -4.567 5 189 16 968 1098 Inactive Inactive 2277 1CDY GLU 150 C -9.59 9.625 -14.206 -4.663 6 180 14 1074 1576 Inactive Inactive 2278 1CDY LEU 151 G -9.73 8.882 -15.085 -4.87 6 161 16 1178 1965 Inactive Inactive 2279 1CDY GLN 152 G -10.023 8.078 -16.416 -5.213 6 131 26 1294 2369 Inactive Gatekeeper 2280 1CDY ASP 153 G -10.159 7.72 -16.697 -5.281 6 88 45 1400 2784 Inactive Selective 2281 1CDY SER 154 C -10.058 8.566 -16.2 -5.269 6 88 51 1515 3215 Inactive Selective 2282 1CDY GLY 155 E -9.743 10.722 -14.88 -5.459 6 104 55 1621 3641 Inactive Selective 2283 1CDY THR 156 E -9.927 12.246 -14.298 -5.583 6 95 57 1721 4064 Inactive Selective 2284 1CDY TRP 157 E -10.004 12.982 -13.846 -5.587 8 86 58 1842 4454 Inactive Selective 2285 1CDY THR 158 E -9.958 12.898 -13.933 -5.563 8 99 60 1960 4758 Inactive Selective 2286 1CDY CYS 159 E -10.075 13.024 -13.853 -5.633 8 106 67 2034 4955 Inactive Selective 2287 1CDY THR 160 E -10.951 13.134 -15.303 -5.511 8 139 64 2075 5005 Inactive Selective 2288 1CDY VAL 161 E -9.029 10.321 -12.863 -5.058 6 149 64 2077 4859 Inactive Selective 2289 1CDY LEU 162 E -8.289 9.291 -13.277 -5.423 6 162 63 2052 4615 Inactive Selective 2290 1CDY GLN 163 E -7.474 9.265 -12.537 -5.624 5 224 63 2019 4304 Inactive Selective 2291 1CDY ASN 164 T -6.582 9.513 -10.583 -5.122 3 323 62 2002 4143 Inactive Selective 2292 1CDY GLN 165 T -6.484 9.775 -10.579 -5.134 3 413 50 1975 3951 Inactive Selective 2293 1CDY LYS 166 E -6.492 9.773 -10.551 -5.136 3 - - - - - - 2294 1CDY LYS 167 E -6.497 9.965 -10.436 -5.134 3 - - - - - - 2295 1CDY VAL 168 E -6.588 10.094 -10.127 -5.04 3 - - - - - - 2296 1CDY GLU 169 E -7.481 12.043 -10.534 -5.274 4 - - - - - - 2297 1CDY PHE 170 E -8.477 15.807 -10.433 -5.571 7 - - - - - - 2298 1CDY LYS 171 E -8.485 15.806 -10.402 -5.571 7 - - - - - - 2299 1CDY ILE 172 E -9.247 15.204 -11.634 -5.353 7 - - - - - - 2300 1CDY ASP 173 E -8.768 14.205 -10.882 -4.932 7 - - - - - - 2301 1CDY ILE 174 E -7.111 12.412 -7.501 -3.674 4 - - - - - - 2302 1CDY VAL 175 E -5.099 8.523 -5.89 -2.876 1 - - - - - - 2303 1CDY VAL 176 E -5.099 8.523 -5.89 -2.876 1 - - - - - - 2304 1CDY LEU 177 C -5.099 8.523 -5.89 -2.876 1 - - - - - - 2305 1CDY ALA 178 C -5.099 8.523 -5.89 -2.876 1 - - - - - - 2306 1CLL LEU 4 C -2.879 4.676 -6.018 -3.421 1 - - - - - - 2307 1CLL THR 5 H -2.879 4.676 -6.018 -3.421 1 - - - - - - 2308 1CLL GLU 6 H -2.879 4.676 -6.018 -3.421 1 - - - - - - 2309 1CLL GLU 7 H -2.879 4.676 -6.018 -3.421 1 - - - - - - 2310 1CLL GLN 8 H -4.015 5.807 -8.236 -4.351 2 - - - - - - 2311 1CLL ILE 9 H -4.855 6.668 -9.781 -5.023 3 - - - - - - 2312 1CLL ALA 10 H -5.584 7.565 -11.306 -5.854 3 - - - - - - 2313 1CLL GLU 11 H -6.099 8.356 -11.942 -6.427 3 - - - - - - 2314 1CLL PHE 12 H -7.625 12.928 -13.744 -7.646 8 - - - - - - 2315 1CLL LYS 13 H -8.169 13.496 -14.848 -8.032 8 - - - - - - 2316 1CLL GLU 14 H -8.418 13.182 -15.032 -7.868 8 - - - - - - 2317 1CLL ALA 15 H -8.944 13.293 -14.78 -7.352 8 - - - - - - 2318 1CLL PHE 16 H -10.023 10.834 -13.205 -4.135 7 1690 1279 1863 4744 Selective Selective 2319 1CLL SER 17 H -10.036 10.535 -13.17 -4.02 5 1942 1384 1877 4476 Selective Selective 2320 1CLL LEU 18 H -10.293 10.479 -13.189 -3.978 7 2291 1523 1915 4318 Selective Selective 2321 1CLL PHE 19 H -10.081 10.762 -14.571 -5.447 6 2556 1612 1900 4069 Selective Selective 2322 1CLL ASP 20 T -8.119 4.098 -15.312 -5.404 6 2847 1710 1901 3854 Selective Selective 2323 1CLL LYS 21 T -5.676 2.731 -12.727 -5.328 3 3032 1905 1903 3675 Selective Selective 2324 1CLL ASP 22 T -4.699 3.094 -11.281 -5.079 3 3186 2096 1887 3493 Selective Selective 2325 1CLL GLY 23 T -4.615 3.616 -11.106 -5.046 3 3288 2255 1858 3394 Selective Selective 2326 1CLL ASP 24 C -4.607 3.696 -11.098 -5.046 3 3235 2180 1851 3301 Selective Selective 2327 1CLL GLY 25 C -4.608 3.7 -11.088 -5.046 3 3135 2072 1834 3122 Selective Selective 2328 1CLL THR 26 E -4.713 3.893 -10.777 -4.991 3 2814 1925 1827 3056 Selective Selective 2329 1CLL ILE 27 E -5.755 7.316 -10.012 -4.853 3 2439 1696 1841 3090 Selective Selective 2330 1CLL THR 28 C -7.181 10.258 -10.575 -5.117 4 2127 1390 1840 3229 Selective Selective 2331 1CLL THR 29 H -8.904 12.627 -12.282 -5.433 7 1752 1020 1869 3491 Selective Selective 2332 1CLL LYS 30 H -9.847 11.927 -14.221 -5.414 6 1509 915 1892 3735 Selective Selective 2333 1CLL GLU 31 H -10.161 11.939 -14.847 -5.507 6 1162 798 1888 3930 Selective Selective 2334 1CLL LEU 32 H -9.997 12.855 -13.786 -5.319 7 903 762 1941 4162 Gatekeeper Selective 2335 1CLL GLY 33 H -9.964 12.829 -14.507 -5.831 8 619 695 1932 4335 Gatekeeper Selective 2336 1CLL THR 34 H -9.892 12.885 -14.904 -6.119 8 437 518 1906 4332 Inactive Selective 2337 1CLL VAL 35 H -9.864 12.789 -14.947 -6.077 8 287 348 1847 4157 Inactive Selective 2338 1CLL MET 36 H -9.389 9.3 -14.959 -5.343 6 191 229 1768 3808 Inactive Selective 2339 1CLL ARG 37 H -8.362 5.341 -14.25 -4.619 5 192 263 1685 3461 Inactive Selective 2340 1CLL SER 38 H -5.79 4.216 -11.167 -4.594 3 182 300 1631 3210 Inactive Selective 2341 1CLL LEU 39 C -5.322 6.041 -10.23 -4.701 3 199 350 1552 2932 Inactive Selective 2342 1CLL GLY 40 C -5.2 6.208 -10.298 -4.742 3 215 411 1465 2641 Inactive Selective 2343 1CLL GLN 41 C -5.197 6.22 -10.308 -4.744 3 209 428 1388 2318 Inactive Selective 2344 1CLL ASN 42 C -5.16 6.292 -10.322 -4.734 3 213 432 1260 1948 Inactive Selective 2345 1CLL PRO 43 C -5.367 7.351 -9.963 -4.775 3 209 432 1126 1597 Inactive Gatekeeper 2346 1CLL THR 44 C -5.874 7.062 -10.739 -4.745 3 205 410 1012 1235 Inactive Inactive 2347 1CLL GLU 45 H -6.391 7.238 -10.947 -4.498 3 195 357 904 872 Inactive Inactive 2348 1CLL ALA 46 H -6.415 7.188 -10.875 -4.473 3 165 314 822 548 Inactive Inactive 2349 1CLL GLU 47 H -6.879 7.124 -11.03 -4.347 3 160 299 755 334 Inactive Inactive 2350 1CLL LEU 48 H -7.905 7.379 -12.039 -4.467 5 167 302 707 207 Inactive Inactive 2351 1CLL GLN 49 H -10.741 9.34 -16.775 -5.334 6 298 465 692 165 Inactive Inactive 2352 1CLL ASP 50 H -9.172 9.821 -13.13 -4.941 5 399 587 669 130 Gatekeeper Inactive 2353 1CLL MET 51 H -9.011 10.269 -12.95 -4.9 5 505 711 648 105 Gatekeeper Inactive 2354 1CLL ILE 52 H -8.893 10.213 -13.083 -4.883 5 567 915 646 111 Gatekeeper Inactive 2355 1CLL ASN 53 H -8.196 7.945 -13.271 -4.795 5 711 1204 664 152 Gatekeeper Inactive 2356 1CLL GLU 54 H -8.069 7.745 -13.432 -4.786 5 803 1783 722 254 Gatekeeper Inactive 2357 1CLL VAL 55 H -7.622 6.493 -13.235 -4.708 3 856 2326 809 441 Gatekeeper Inactive 2358 1CLL ASP 56 T -6.504 3.058 -13.467 -4.923 3 976 3066 909 656 Selective Inactive 2359 1CLL ALA 57 T -4.481 1.663 -11.283 -4.916 3 1124 3809 1014 908 Selective Inactive 2360 1CLL ASP 58 T -4.34 1.967 -11.398 -4.984 3 1270 4372 1107 1189 Selective Inactive 2361 1CLL GLY 59 T -4.303 2.236 -11.35 -4.982 3 1348 4721 1197 1476 Selective Permissive 2362 1CLL ASN 60 C -4.304 2.232 -11.348 -4.983 3 1362 4770 1293 1770 Selective Selective 2363 1CLL GLY 61 C -4.316 2.227 -11.302 -4.983 3 1342 4752 1383 1982 Selective Selective 2364 1CLL THR 62 C -5.097 3.894 -11.544 -5.162 3 1193 4542 1434 2139 Selective Selective 2365 1CLL ILE 63 E -5.957 6.454 -10.64 -4.943 3 1087 4384 1462 2235 Selective Selective 2366 1CLL ASP 64 E -8.57 9.021 -13.086 -5.135 6 984 4220 1477 2319 Selective Selective 2367 1CLL PHE 65 H -10.131 13.947 -12.677 -4.807 7 919 3966 1487 2373 Selective Selective 2368 1CLL PRO 66 H -10.248 13.825 -12.593 -4.715 7 793 3617 1500 2392 Gatekeeper Selective 2369 1CLL GLU 67 H -10.952 14.16 -13.324 -4.805 7 751 3021 1488 2373 Gatekeeper Selective 2370 1CLL PHE 68 H -11.705 15.959 -14.07 -5.018 7 872 2473 1482 2256 Gatekeeper Selective 2371 1CLL LEU 69 H -11.188 13.82 -14.209 -4.927 7 811 1733 1456 2075 Gatekeeper Selective 2372 1CLL THR 70 H -10.155 10.572 -13.718 -4.508 7 741 990 1395 1855 Gatekeeper Selective 2373 1CLL MET 71 H -10.118 10.433 -13.888 -4.533 7 847 427 1313 1597 Inactive Selective 2374 1CLL MET 72 H -9.899 10.397 -14.023 -4.608 6 1057 78 1215 1323 Permissive Permissive 2375 1CLL ALA 73 H -9.357 8.74 -14.008 -4.478 5 1160 17 1126 1047 Permissive Inactive 2376 1CLL ARG 74 H -8.866 7.67 -14.094 -4.596 5 1403 2 1057 869 Permissive Inactive 2377 1CLL LYS 75 H -8.203 7.437 -13.527 -4.877 5 1596 2 1017 745 Permissive Inactive 2378 1CLL MET 76 H -7.47 6.621 -12.998 -4.881 3 1689 2 1003 681 Permissive Inactive 2379 1CLL LYS 77 H -7.394 6.46 -13.13 -4.847 3 1878 1 993 603 Permissive Inactive 2380 1CLL ASP 78 H -7.406 6.43 -13.123 -4.858 3 1997 3 959 526 Permissive Inactive 2381 1CLL THR 79 H -7.429 6.403 -13.102 -4.868 3 2028 3 899 449 Permissive Inactive 2382 1CLL ASP 80 H -7.548 6.162 -13.098 -4.844 3 2223 36 833 360 Permissive Inactive 2383 1CLL SER 81 H -8.516 5.702 -14.472 -4.691 5 2122 47 751 291 Permissive Inactive 2384 1CLL GLU 82 H -9.54 6.97 -16.272 -5.119 6 2120 51 688 264 Permissive Inactive 2385 1CLL GLU 83 H -9.476 7.691 -15.795 -5.082 6 2097 55 639 240 Permissive Inactive 2386 1CLL GLU 84 H -9.541 8.948 -15.092 -4.967 6 1943 98 612 227 Permissive Inactive 2387 1CLL ILE 85 H -9.744 10.018 -14.497 -4.869 6 1833 312 621 224 Permissive Inactive 2388 1CLL ARG 86 H -9.874 10.55 -14.055 -4.724 6 2136 828 622 211 Selective Inactive 2389 1CLL GLU 87 H -9.452 10.45 -12.816 -4.153 5 2039 1126 607 182 Selective Inactive 2390 1CLL ALA 88 H -9.562 10.676 -12.411 -3.965 5 1983 1482 596 170 Selective Inactive 2391 1CLL PHE 89 H -9.754 10.696 -11.977 -3.72 5 2020 1850 595 162 Selective Inactive 2392 1CLL ARG 90 H -9.665 10.907 -12.098 -3.799 5 1887 1952 599 191 Selective Inactive 2393 1CLL VAL 91 H -9.64 10.934 -12.216 -3.877 5 1830 2092 628 253 Selective Inactive 2394 1CLL PHE 92 H -9.412 10.864 -13.483 -5.172 6 1815 2154 678 364 Selective Inactive 2395 1CLL ASP 93 T -7.473 4.256 -14.32 -5.314 6 1682 2217 725 536 Selective Inactive 2396 1CLL LYS 94 T -5.063 3.029 -11.659 -5.217 3 1658 2264 806 799 Selective Inactive 2397 1CLL ASP 95 T -5.027 3.156 -11.731 -5.234 3 1641 2307 899 1152 Selective Inactive 2398 1CLL GLY 96 T -5.02 3.236 -11.729 -5.234 3 1601 2331 1016 1500 Selective Inactive 2399 1CLL ASN 97 C -5.02 3.233 -11.729 -5.234 3 1508 2288 1153 1860 Selective Gatekeeper 2400 1CLL GLY 98 C -5.029 3.221 -11.688 -5.233 3 1330 2074 1262 2174 Selective Selective 2401 1CLL TYR 99 C -6.591 5.993 -12.668 -5.459 3 913 1559 1348 2432 Selective Selective 2402 1CLL ILE 100 B -7.581 9.323 -11.637 -5.279 3 757 1261 1436 2658 Gatekeeper Selective 2403 1CLL SER 101 C -10.145 10.671 -14.796 -5.084 6 624 907 1514 2845 Gatekeeper Selective 2404 1CLL ALA 102 H -10.685 10.768 -15.071 -4.665 6 492 540 1565 2995 Inactive Selective 2405 1CLL ALA 103 H -10.784 10.465 -15.202 -4.638 6 435 438 1612 3105 Inactive Selective 2406 1CLL GLU 104 H -10.832 10.322 -15.21 -4.641 6 354 297 1645 3161 Inactive Selective 2407 1CLL LEU 105 H -11.166 12.534 -15.87 -5.594 8 307 235 1667 3168 Inactive Selective 2408 1CLL ARG 106 H -9.947 13.701 -16.861 -8.62 8 199 139 1676 3082 Inactive Selective 2409 1CLL HIS 107 H -8.029 12.77 -14.517 -8.162 8 142 81 1621 2862 Inactive Selective 2410 1CLL VAL 108 H -7.759 11.888 -13.704 -7.091 6 100 34 1536 2519 Inactive Selective 2411 1CLL MET 109 H -6.803 8.333 -11.921 -5.464 3 84 6 1426 2178 Inactive Selective 2412 1CLL THR 110 H -4.789 6.043 -9.274 -4.838 2 81 6 1305 1826 Inactive Selective 2413 1CLL ASN 111 H -3.961 5.014 -8.833 -4.645 2 84 6 1203 1520 Inactive Permissive 2414 1CLL LEU 112 H -3.628 6.056 -8.144 -4.613 2 79 5 1120 1269 Inactive Inactive 2415 1CLL GLY 113 C -3.558 6.111 -8.236 -4.635 2 108 5 1039 1048 Inactive Inactive 2416 1CLL GLU 114 C -3.558 6.111 -8.233 -4.635 2 109 3 954 851 Inactive Inactive 2417 1CLL LYS 115 C -3.634 6.131 -8.107 -4.608 2 116 2 874 680 Inactive Inactive 2418 1CLL LEU 116 C -3.97 7.234 -7.66 -4.622 2 121 2 815 528 Inactive Inactive 2419 1CLL THR 117 C -4.823 6.594 -9.113 -4.798 2 138 1 770 416 Inactive Inactive 2420 1CLL ASP 118 H -6.472 7.499 -11.744 -4.928 3 148 0 739 312 Inactive Inactive 2421 1CLL GLU 119 H -6.721 7.287 -11.948 -4.89 3 144 0 723 236 Inactive Inactive 2422 1CLL GLU 120 H -7.17 7.435 -12.269 -4.869 3 151 0 732 210 Inactive Inactive 2423 1CLL VAL 121 H -7.389 7.501 -11.977 -4.769 3 164 0 745 203 Inactive Inactive 2424 1CLL ASP 122 H -8.856 8.99 -14.872 -5.806 6 297 14 761 205 Inactive Inactive 2425 1CLL GLU 123 H -9.483 9.12 -14.528 -4.929 6 420 40 774 198 Inactive Inactive 2426 1CLL MET 124 H -9.693 9.992 -13.488 -4.368 5 504 58 781 190 Inactive Inactive 2427 1CLL ILE 125 H -9.574 10.033 -13.312 -4.239 5 554 103 808 235 Inactive Inactive 2428 1CLL ARG 126 H -8.873 9.122 -12.677 -4.187 5 616 160 846 367 Inactive Inactive 2429 1CLL GLU 127 H -8.739 8.856 -13.001 -4.295 5 675 219 918 627 Inactive Inactive 2430 1CLL ALA 128 H -7.269 6.344 -12.217 -4.651 3 783 309 1024 1089 Inactive Inactive 2431 1CLL ASP 129 T -6.824 4.698 -13.121 -4.829 3 955 544 1102 1527 Permissive Gatekeeper 2432 1CLL ILE 130 T -5.132 2.805 -11.675 -4.979 3 1079 725 1180 1916 Selective Selective 2433 1CLL ASP 131 T -5.111 2.842 -11.766 -5.005 3 0 0 0 0 Inactive Inactive 2434 1CLL GLY 132 T -5.106 2.879 -11.776 -5.007 3 1305 960 1234 2261 Selective Selective 2435 1CLL ASP 133 C -5.12 2.799 -11.767 -5.015 3 1515 1152 1287 2615 Selective Selective 2436 1CLL GLY 134 C -5.138 2.785 -11.7 -5.016 3 1657 1193 1348 2918 Selective Selective 2437 1CLL GLN 135 C -6.947 4.674 -13.994 -5.584 3 - - - - - - 2438 1CLL VAL 136 B -7.895 7.214 -13.088 -5.258 3 - - - - - - 2439 1CLL ASN 137 C -11.37 9.869 -17.116 -5.714 8 - - - - - - 2440 1CLL TYR 138 H -12.56 15.272 -17.123 -6.142 8 - - - - - - 2441 1CLL GLU 139 H -11.211 18.777 -15.556 -8.183 8 - - - - - - 2442 1CLL GLU 140 H -10.68 18.721 -14.716 -7.901 8 - - - - - - 2443 1CLL PHE 141 H -7.76 15.835 -9.667 -6.25 4 - - - - - - 2444 1CLL VAL 142 H -5.638 10.863 -8.365 -5.276 4 - - - - - - 2445 1CLL GLN 143 H -4.843 9.575 -7.838 -4.838 2 - - - - - - 2446 1CLL MET 144 H -3.311 7.733 -4.942 -3.545 1 - - - - - - 2447 1CLL MET 145 H -3.311 7.733 -4.942 -3.545 1 - - - - - - 2448 1CLL THR 146 H -3.311 7.733 -4.942 -3.545 1 - - - - - - 2449 1CLL ALA 147 C -3.311 7.733 -4.942 -3.545 1 - - - - - - 2450 1CTQ MET 1 C -8.724 11.67 -11.61 -5.019 5 - - - - - - 2451 1CTQ THR 2 C -8.724 11.67 -11.61 -5.019 5 - - - - - - 2452 1CTQ GLU 3 E -8.724 11.67 -11.61 -5.019 5 - - - - - - 2453 1CTQ TYR 4 E -8.724 11.67 -11.61 -5.019 5 - - - - - - 2454 1CTQ LYS 5 E -10.842 14.632 -13.937 -5.693 8 - - - - - - 2455 1CTQ LEU 6 E -10.017 16.412 -9.331 -3.875 7 - - - - - - 2456 1CTQ VAL 7 E -9.773 15.542 -9.842 -3.83 7 - - - - - - 2457 1CTQ VAL 8 E -8.585 11.539 -10.519 -4.074 4 - - - - - - 2458 1CTQ VAL 9 E -7.047 7.258 -11.112 -4.429 3 - - - - - - 2459 1CTQ GLY 10 E -6.207 5.856 -11.132 -4.49 3 - - - - - - 2460 1CTQ ALA 11 T -5.479 5.712 -10.339 -4.474 2 - - - - - - 2461 1CTQ GLY 12 T -5.469 5.735 -10.384 -4.485 2 - - - - - - 2462 1CTQ GLY 13 T -5.471 5.712 -10.384 -4.487 2 6062 10836 1657 1451 Selective Inactive 2463 1CTQ VAL 14 T -5.511 5.629 -10.33 -4.489 2 5764 10324 1642 1698 Selective Inactive 2464 1CTQ GLY 15 C -5.669 5.696 -10.083 -4.483 2 5505 9732 1619 1960 Selective Inactive 2465 1CTQ LYS 16 H -7.835 7.09 -12.84 -5.069 3 4993 8593 1582 2242 Selective Inactive 2466 1CTQ SER 17 H -10.631 10.099 -15.621 -5.007 6 4391 7351 1528 2432 Selective Inactive 2467 1CTQ ALA 18 H -11.157 12.506 -14.773 -4.77 7 3743 6258 1478 2614 Selective Inactive 2468 1CTQ LEU 19 H -11.446 13.654 -14.331 -4.794 7 2956 4984 1439 2786 Selective Inactive 2469 1CTQ THR 20 H -11.875 15.772 -13.511 -4.636 7 2276 3850 1407 2956 Selective Gatekeeper 2470 1CTQ ILE 21 H -11.88 15.796 -13.514 -4.653 7 1745 2882 1402 3100 Selective Gatekeeper 2471 1CTQ GLN 22 H -11.636 14.523 -15.365 -5.932 8 1187 1931 1409 3219 Selective Gatekeeper 2472 1CTQ LEU 23 H -8.802 12.493 -11.272 -5.095 7 844 1121 1406 3182 Selective Gatekeeper 2473 1CTQ ILE 24 H -8.685 12.765 -11.634 -5.279 7 612 644 1406 3106 Gatekeeper Gatekeeper 2474 1CTQ GLN 25 H -8.452 13.027 -12.904 -6.26 7 307 191 1403 2971 Inactive Gatekeeper 2475 1CTQ ASN 26 C -7.99 12.242 -13.017 -6.255 7 237 88 1382 2790 Inactive Inactive 2476 1CTQ HIS 27 C -7.11 10.283 -10.783 -4.947 3 218 91 1366 2561 Inactive Inactive 2477 1CTQ PHE 28 C -5.221 10.154 -6.922 -4.245 4 190 102 1368 2319 Inactive Inactive 2478 1CTQ VAL 29 C -3.369 6.67 -6.05 -4.002 2 158 105 1388 2054 Inactive Inactive 2479 1CTQ ASP 30 C -2.285 4.324 -6.176 -4.004 1 122 110 1401 1843 Inactive Inactive 2480 1CTQ GLU 31 C -2.245 4.416 -6.278 -4.031 1 105 117 1414 1623 Inactive Inactive 2481 1CTQ TYR 32 C -2.231 4.464 -6.313 -4.034 1 98 121 1417 1428 Inactive Inactive 2482 1CTQ ASP 33 C -2.234 4.432 -6.312 -4.033 1 148 137 1425 1257 Inactive Inactive 2483 1CTQ PRO 34 C -2.327 4.051 -6.323 -4.014 1 256 174 1436 1121 Inactive Inactive 2484 1CTQ THR 35 T -3.682 5.803 -7.513 -4.193 2 283 166 1445 991 Inactive Inactive 2485 1CTQ ILE 36 T -4.437 6.447 -7.633 -4.042 2 319 152 1450 974 Inactive Inactive 2486 1CTQ GLU 37 T -6.098 8.882 -9.6 -4.764 3 404 147 1454 994 Inactive Inactive 2487 1CTQ ASP 38 E -7.582 10.267 -13.364 -6.174 6 466 140 1485 1030 Inactive Inactive 2488 1CTQ SER 39 E -8.005 10.51 -13.571 -6.317 6 538 154 1519 1080 Inactive Inactive 2489 1CTQ TYR 40 E -9.496 12.241 -13.078 -5.118 7 589 154 1551 1143 Inactive Inactive 2490 1CTQ ARG 41 E -7.721 10.571 -9.987 -4.353 4 604 139 1549 1227 Inactive Inactive 2491 1CTQ LYS 42 E -7.563 10.651 -10.1 -4.351 4 614 135 1558 1381 Inactive Inactive 2492 1CTQ GLN 43 E -7.488 10.442 -10.357 -4.373 4 630 135 1591 1590 Inactive Inactive 2493 1CTQ VAL 44 E -6.369 7.094 -10.329 -4.283 3 697 161 1630 1830 Permissive Inactive 2494 1CTQ VAL 45 E -5.989 6.543 -10.929 -4.63 3 716 164 1667 2203 Permissive Inactive 2495 1CTQ ILE 46 E -5.897 6.418 -11.145 -4.743 3 688 146 1713 2592 Inactive Permissive 2496 1CTQ ASP 47 T -5.857 6.2 -11.378 -4.8 3 651 117 1770 2966 Inactive Selective 2497 1CTQ GLY 48 T -5.86 6.185 -11.383 -4.804 3 686 147 1829 3379 Inactive Selective 2498 1CTQ GLU 49 E -6.123 6.01 -11.977 -5.105 3 662 152 1879 3802 Inactive Selective 2499 1CTQ THR 50 E -6.658 6.126 -12.535 -5.236 3 590 158 1937 4206 Inactive Selective 2500 1CTQ CYS 51 E -7.331 4.629 -14.016 -5.393 3 567 178 1976 4601 Inactive Selective 2501 1CTQ LEU 52 E -9.108 7.874 -14.387 -5.279 6 566 202 2029 4990 Gatekeeper Selective 2502 1CTQ LEU 53 E -11.432 14.913 -14.529 -5.106 8 529 199 2081 5260 Gatekeeper Selective 2503 1CTQ ASP 54 E -11.421 15.409 -14.307 -5.152 8 520 198 2113 5365 Gatekeeper Selective 2504 1CTQ ILE 55 E -11.32 15.77 -13.805 -5.036 7 531 206 2104 5296 Gatekeeper Selective 2505 1CTQ LEU 56 E -11.143 14.594 -14.259 -5.091 7 548 206 2082 5201 Gatekeeper Selective 2506 1CTQ ASP 57 E -11.214 13.579 -15.004 -5.213 8 555 180 2049 5138 Inactive Selective 2507 1CTQ THR 58 C -10.147 9.504 -15.297 -5.304 6 630 194 2025 4947 Gatekeeper Selective 2508 1CTQ ALA 59 C -8.191 5.773 -13.935 -4.945 3 778 214 1981 4813 Selective Selective 2509 1CTQ GLY 60 C -7.775 6.551 -13.75 -5.143 3 1063 214 1938 4785 Selective Selective 2510 1CTQ GLN 61 C -7.692 6.657 -13.759 -5.115 3 1626 186 1898 4706 Permissive Selective 2511 1CTQ GLU 62 G -7.327 6.592 -13.173 -4.897 3 2011 178 1886 4600 Permissive Selective 2512 1CTQ GLU 63 G -7.328 6.589 -13.169 -4.895 3 2182 169 1875 4520 Permissive Selective 2513 1CTQ TYR 64 G -7.478 6.864 -12.962 -4.884 3 2341 151 1883 4438 Permissive Selective 2514 1CTQ SER 65 H -7.695 6.659 -12.695 -4.684 5 2656 132 1886 4344 Permissive Selective 2515 1CTQ ALA 66 H -7.779 6.547 -12.522 -4.647 5 2746 140 1893 4462 Permissive Selective 2516 1CTQ MET 67 H -10.379 8.949 -15.213 -5.093 6 2876 190 1939 4805 Permissive Selective 2517 1CTQ ARG 68 H -12.761 10.556 -18.563 -5.395 8 2911 218 2009 5296 Selective Selective 2518 1CTQ ASP 69 H -13.091 9.888 -19.313 -5.49 8 2892 235 2070 5669 Selective Selective 2519 1CTQ GLN 70 H -12.818 12.028 -17.694 -5.375 8 2875 360 2113 5890 Selective Selective 2520 1CTQ TYR 71 H -12.513 13.966 -16.171 -5.356 8 2808 433 2141 6032 Selective Selective 2521 1CTQ MET 72 H -11.3 10.611 -16.199 -5.397 8 2709 497 2147 5967 Selective Selective 2522 1CTQ ARG 73 H -9.588 7.231 -14.924 -4.882 6 2388 567 2141 5739 Selective Selective 2523 1CTQ THR 74 H -9.31 8.91 -14.292 -5.015 6 1843 705 2114 5520 Selective Selective 2524 1CTQ GLY 75 C -9.295 9.059 -14.271 -5.019 6 1508 827 2060 5291 Selective Selective 2525 1CTQ GLU 76 C -9.294 9.071 -14.267 -5.019 6 1378 890 2001 5043 Selective Selective 2526 1CTQ GLY 77 E -9.301 9.188 -14.164 -4.999 6 1243 992 1946 4804 Selective Selective 2527 1CTQ PHE 78 E -9.815 12.188 -13.214 -5.203 6 939 1106 1891 4593 Selective Selective 2528 1CTQ LEU 79 E -11.03 16.022 -12.903 -4.908 7 857 1118 1818 4281 Selective Selective 2529 1CTQ CYS 80 E -11.28 17.249 -12.187 -4.566 7 758 1079 1773 3951 Selective Selective 2530 1CTQ VAL 81 E -11.123 17.462 -11.768 -4.44 7 740 1063 1728 3644 Selective Selective 2531 1CTQ PHE 82 E -11.144 16.664 -12.464 -4.624 7 746 1047 1709 3499 Selective Selective 2532 1CTQ ALA 83 E -10.366 12.32 -13.908 -4.992 7 693 914 1717 3514 Gatekeeper Selective 2533 1CTQ ILE 84 T -9.962 10.644 -14.6 -5.139 6 716 823 1742 3696 Selective Selective 2534 1CTQ ASN 85 T -9.673 9.33 -15.319 -5.325 6 920 776 1794 4101 Selective Selective 2535 1CTQ ASN 86 T -9.663 9.212 -15.426 -5.35 6 1094 696 1839 4680 Selective Selective 2536 1CTQ THR 87 H -9.558 9.341 -15.271 -5.299 6 1260 556 1887 5383 Selective Selective 2537 1CTQ LYS 88 H -9.662 9.083 -15.481 -5.34 6 1365 434 1933 6195 Selective Selective 2538 1CTQ SER 89 H -9.874 9.08 -15.596 -5.374 6 1456 370 1988 7019 Selective Selective 2539 1CTQ PHE 90 H -10.361 10.99 -14.705 -5.122 6 1661 264 2042 7859 Selective Selective 2540 1CTQ GLU 91 H -10.336 10.844 -14.794 -5.132 6 1739 123 2116 8672 Permissive Selective 2541 1CTQ ASP 92 H -11.05 11.231 -15.81 -5.339 8 1830 89 2204 9506 Permissive Selective 2542 1CTQ ILE 93 H -11.296 11.24 -15.74 -5.337 8 2006 74 2255 10190 Permissive Selective 2543 1CTQ HIS 94 H -11.337 10.922 -15.766 -5.324 8 2315 52 2311 10710 Permissive Selective 2544 1CTQ GLN 95 H -11.358 10.767 -15.746 -5.315 8 2584 45 2335 11053 Permissive Selective 2545 1CTQ TYR 96 H -14.502 14.032 -18.3 -5.487 8 2807 44 2354 11230 Permissive Selective 2546 1CTQ ARG 97 H -16.366 13.168 -22.727 -6.45 8 2773 40 2330 11181 Permissive Selective 2547 1CTQ GLU 98 H -14.014 10.967 -19.497 -5.614 8 2512 16 2300 10829 Permissive Selective 2548 1CTQ GLN 99 H -13.768 11.45 -19.272 -5.525 8 2304 20 2254 10307 Permissive Selective 2549 1CTQ ILE 100 H -12.577 13.947 -16.14 -5.36 8 2066 35 2193 9599 Permissive Selective 2550 1CTQ LYS 101 H -10.167 10.203 -14.418 -5.206 6 1910 64 2135 8732 Permissive Selective 2551 1CTQ ARG 102 H -9.572 8.627 -14.463 -4.842 6 1808 151 2083 7875 Permissive Selective 2552 1CTQ VAL 103 H -8.76 7.748 -14.033 -4.934 6 1563 329 2034 7035 Selective Selective 2553 1CTQ LYS 104 H -8.024 5.712 -14.471 -5.126 6 1476 527 1959 6219 Selective Selective 2554 1CTQ ASP 105 C -7.178 5.435 -13.112 -4.812 3 1409 714 1917 5409 Selective Selective 2555 1CTQ SER 106 T -7.157 5.54 -13.091 -4.798 3 1261 938 1903 4685 Selective Selective 2556 1CTQ ASP 107 T -7.156 5.59 -13.075 -4.804 3 996 1194 1881 4079 Selective Selective 2557 1CTQ ASP 108 T -7.185 5.512 -13.031 -4.795 3 753 1365 1867 3570 Selective Selective 2558 1CTQ VAL 109 T -7.297 5.654 -12.691 -4.71 3 590 1568 1859 3153 Gatekeeper Selective 2559 1CTQ PRO 110 C -8.864 9.748 -12.783 -4.653 5 634 1744 1846 2845 Gatekeeper Selective 2560 1CTQ MET 111 E -9.496 13.014 -12.405 -4.894 7 671 1794 1818 2729 Gatekeeper Permissive 2561 1CTQ VAL 112 E -9.917 14.919 -11.619 -4.449 7 720 1850 1815 2605 Selective Permissive 2562 1CTQ LEU 113 E -10.052 15.128 -11.503 -4.42 7 750 1886 1823 2486 Selective Permissive 2563 1CTQ VAL 114 E -10.087 14.623 -11.797 -4.463 7 760 1878 1814 2397 Selective Permissive 2564 1CTQ GLY 115 E -10.109 14.266 -12.039 -4.529 7 802 1814 1754 2261 Selective Permissive 2565 1CTQ ASN 116 E -10.506 12.408 -13.937 -4.823 7 822 1640 1666 2083 Selective Inactive 2566 1CTQ LYS 117 T -8.452 8.045 -13.569 -5.4 6 788 1445 1570 1888 Selective Inactive 2567 1CTQ CYS 118 T -6.575 5.515 -11.708 -4.736 3 757 1264 1448 1665 Selective Inactive 2568 1CTQ ASP 119 T -6.549 5.589 -11.771 -4.74 3 711 1041 1300 1435 Selective Inactive 2569 1CTQ LEU 120 T -6.518 5.611 -11.849 -4.729 3 660 786 1155 1190 Gatekeeper Inactive 2570 1CTQ ALA 121 T -6.51 5.642 -11.861 -4.722 3 636 614 1012 944 Gatekeeper Inactive 2571 1CTQ ALA 122 T -6.531 5.555 -11.802 -4.696 3 584 411 862 707 Gatekeeper Inactive 2572 1CTQ ARG 123 T -7.834 6.768 -13.21 -4.603 5 540 235 744 501 Gatekeeper Inactive 2573 1CTQ THR 124 C -8.086 6.57 -13.281 -4.456 5 538 171 638 297 Inactive Inactive 2574 1CTQ VAL 125 C -8.699 8.186 -13.31 -4.33 5 548 110 520 165 Inactive Inactive 2575 1CTQ GLU 126 C -8.719 8.326 -13.378 -4.409 5 536 60 411 90 Inactive Inactive 2576 1CTQ SER 127 H -8.764 8.322 -13.286 -4.391 5 535 40 344 49 Inactive Inactive 2577 1CTQ ARG 128 H -8.767 8.318 -13.273 -4.389 5 481 43 338 35 Inactive Inactive 2578 1CTQ GLN 129 H -8.886 8.397 -13.134 -4.401 5 431 51 362 46 Inactive Inactive 2579 1CTQ ALA 130 H -9.104 8.254 -12.99 -4.376 5 408 65 411 78 Inactive Inactive 2580 1CTQ GLN 131 H -11.602 8.608 -17.336 -4.66 6 388 64 494 162 Inactive Inactive 2581 1CTQ ASP 132 H -11.138 8.263 -15.939 -4.164 6 366 66 587 258 Inactive Inactive 2582 1CTQ LEU 133 H -11.155 8.736 -15.59 -4.09 6 336 74 681 369 Inactive Inactive 2583 1CTQ ALA 134 H -10.395 8.45 -15.125 -4.386 6 312 84 780 478 Inactive Inactive 2584 1CTQ ARG 135 H -9.733 9.107 -14.298 -4.606 6 295 97 869 592 Inactive Inactive 2585 1CTQ SER 136 H -9.304 9.919 -13.49 -4.628 5 273 109 959 714 Inactive Inactive 2586 1CTQ TYR 137 H -9.318 10.042 -13.432 -4.658 5 218 117 1068 854 Inactive Inactive 2587 1CTQ GLY 138 C -9.014 11.754 -12.217 -4.582 5 180 134 1185 1064 Inactive Inactive 2588 1CTQ ILE 139 C -9.052 12.052 -12.016 -4.591 7 169 186 1292 1268 Inactive Inactive 2589 1CTQ PRO 140 C -9.174 12.867 -11.549 -4.583 7 145 200 1368 1415 Gatekeeper Inactive 2590 1CTQ TYR 141 E -9.49 14.441 -10.71 -4.545 7 115 178 1412 1511 Inactive Inactive 2591 1CTQ ILE 142 E -9.484 14.354 -10.78 -4.548 7 114 166 1436 1553 Inactive Inactive 2592 1CTQ GLU 143 E -10.619 14.016 -14.174 -5.328 8 96 153 1413 1550 Inactive Inactive 2593 1CTQ THR 144 C -9.018 10.964 -12.612 -5.141 6 96 158 1362 1478 Inactive Inactive 2594 1CTQ SER 145 T -9.019 10.825 -12.68 -5.14 6 126 187 1313 1398 Inactive Inactive 2595 1CTQ ALA 146 T -9.002 10.76 -12.78 -5.141 6 132 183 1280 1333 Inactive Inactive 2596 1CTQ LYS 147 T -8.68 9.343 -13.637 -5.268 6 155 185 1268 1311 Inactive Inactive 2597 1CTQ THR 148 T -8.608 9.186 -13.751 -5.234 6 208 192 1273 1337 Inactive Inactive 2598 1CTQ ARG 149 T -8.97 7.782 -14.898 -5.324 6 248 226 1281 1421 Gatekeeper Inactive 2599 1CTQ GLN 150 T -8.859 7.837 -14.883 -5.292 6 320 243 1245 1438 Gatekeeper Inactive 2600 1CTQ GLY 151 T -8.127 9.232 -12.352 -4.775 5 357 262 1215 1367 Gatekeeper Inactive 2601 1CTQ VAL 152 H -8.232 9.618 -11.856 -4.642 5 380 210 1199 1318 Gatekeeper Inactive 2602 1CTQ GLU 153 H -8.272 9.716 -11.657 -4.616 5 471 203 1179 1333 Gatekeeper Inactive 2603 1CTQ ASP 154 H -8.277 9.723 -11.62 -4.612 5 - - - - - - 2604 1CTQ ALA 155 H -8.321 9.83 -11.369 -4.571 5 - - - - - - 2605 1CTQ PHE 156 H -11.426 16.26 -12.362 -4.684 7 - - - - - - 2606 1CTQ TYR 157 H -12.842 18.254 -14.398 -5.18 8 - - - - - - 2607 1CTQ THR 158 H -12.681 16.43 -14.655 -4.9 8 - - - - - - 2608 1CTQ LEU 159 H -12.731 16.173 -14.653 -4.865 8 - - - - - - 2609 1CTQ VAL 160 H -12.667 15.971 -15.127 -5.101 8 - - - - - - 2610 1CTQ ARG 161 H -12.011 13.349 -16.392 -5.733 8 - - - - - - 2611 1CTQ GLU 162 H -8.859 10.916 -12.123 -5.067 5 - - - - - - 2612 1CTQ ILE 163 H -7.191 8.006 -10.256 -3.982 4 - - - - - - 2613 1CTQ ARG 164 H -7.191 8.006 -10.256 -3.982 4 - - - - - - 2614 1CTQ GLN 165 H -7.191 8.006 -10.256 -3.982 4 - - - - - - 2615 1CTQ HIS 166 C -7.191 8.006 -10.256 -3.982 4 - - - - - - 2616 1CY5 MET 1 C -10.634 6.861 -16.055 -4.481 6 - - - - - - 2617 1CY5 ASP 2 C -10.634 6.861 -16.055 -4.481 6 - - - - - - 2618 1CY5 ALA 3 H -10.634 6.861 -16.055 -4.481 6 - - - - - - 2619 1CY5 LYS 4 H -10.634 6.861 -16.055 -4.481 6 - - - - - - 2620 1CY5 ALA 5 H -12.122 9.44 -17.594 -5.067 6 - - - - - - 2621 1CY5 ARG 6 H -12.495 13.142 -16.194 -4.986 8 - - - - - - 2622 1CY5 ASN 7 H -10.931 11.669 -14.996 -5.301 6 - - - - - - 2623 1CY5 CYS 8 H -10.628 12.428 -14.545 -5.239 6 - - - - - - 2624 1CY5 LEU 9 H -10.554 12.641 -14.496 -5.207 6 - - - - - - 2625 1CY5 LEU 10 H -10.394 12.098 -14.735 -5.185 6 - - - - - - 2626 1CY5 GLN 11 H -10.24 11.661 -14.87 -5.163 6 - - - - - - 2627 1CY5 HIS 12 H -10.425 11.782 -14.864 -5.099 6 - - - - - - 2628 1CY5 ARG 13 H -10.603 11.18 -15.261 -5.082 6 588 53 1381 2538 Permissive Permissive 2629 1CY5 GLU 14 H -10.287 11.638 -14.677 -5.156 6 499 46 1338 2553 Permissive Selective 2630 1CY5 ALA 15 H -10.388 12.025 -14.521 -5.186 6 365 34 1291 2651 Inactive Selective 2631 1CY5 LEU 16 H -10.56 13.028 -14.156 -5.262 7 309 20 1244 2757 Inactive Selective 2632 1CY5 GLU 17 H -10.529 12.968 -14.294 -5.315 6 280 11 1195 2766 Inactive Selective 2633 1CY5 LYS 18 H -9.972 13.203 -13.638 -5.433 7 259 7 1151 2742 Inactive Selective 2634 1CY5 ASP 19 H -9.968 13.582 -13.493 -5.478 7 213 4 1105 2665 Inactive Gatekeeper 2635 1CY5 ILE 20 C -9.206 13.316 -12.149 -5.184 7 159 1 1060 2627 Inactive Gatekeeper 2636 1CY5 LYS 21 C -8.609 12.968 -11.516 -5.078 7 191 0 1005 2543 Inactive Gatekeeper 2637 1CY5 THR 22 H -8.57 13.099 -11.536 -5.088 7 179 2 980 2425 Inactive Inactive 2638 1CY5 SER 23 H -8.603 13.079 -11.447 -5.062 7 176 7 952 2259 Inactive Inactive 2639 1CY5 TYR 24 H -8.62 13.056 -11.391 -5.053 7 182 7 913 2073 Inactive Inactive 2640 1CY5 ILE 25 H -8.808 12.997 -11.285 -5.045 7 182 7 875 1880 Inactive Inactive 2641 1CY5 MET 26 H -10.125 14.764 -12.258 -5.261 7 180 8 837 1686 Inactive Inactive 2642 1CY5 ASP 27 H -11.344 12.061 -15.635 -5.164 8 180 8 784 1450 Inactive Inactive 2643 1CY5 HIS 28 H -11.063 11.754 -15.36 -5.191 6 187 8 721 1147 Inactive Inactive 2644 1CY5 MET 29 H -8.811 9.383 -12.845 -4.924 5 208 8 651 828 Inactive Inactive 2645 1CY5 ILE 30 H -8.061 8.697 -12.367 -4.72 5 232 10 575 606 Inactive Inactive 2646 1CY5 SER 31 H -8.003 8.875 -12.426 -4.748 5 267 12 511 410 Inactive Inactive 2647 1CY5 ASP 32 H -7.972 8.964 -12.491 -4.778 5 290 13 463 266 Inactive Inactive 2648 1CY5 GLY 33 C -7.849 9.309 -12.342 -4.764 5 312 14 418 167 Inactive Inactive 2649 1CY5 PHE 34 C -7.954 9.394 -12.232 -4.713 5 407 21 386 98 Inactive Inactive 2650 1CY5 LEU 35 C -7.725 9.158 -11.575 -4.473 5 421 35 360 57 Inactive Inactive 2651 1CY5 THR 36 C -7.564 8.522 -11.893 -4.495 5 433 48 337 36 Inactive Inactive 2652 1CY5 ILE 37 H -7.56 8.426 -11.941 -4.488 5 423 60 318 32 Inactive Inactive 2653 1CY5 SER 38 H -7.633 8.112 -11.978 -4.462 5 434 86 320 42 Inactive Inactive 2654 1CY5 GLU 39 H -7.645 8.036 -11.976 -4.466 5 453 132 346 63 Inactive Inactive 2655 1CY5 GLU 40 H -8.228 7.293 -13.173 -4.693 5 489 186 411 147 Permissive Inactive 2656 1CY5 GLU 41 H -7.749 9.254 -11.354 -4.691 5 484 222 518 278 Gatekeeper Inactive 2657 1CY5 LYS 42 H -7.543 10.409 -11.059 -4.888 4 465 260 647 473 Gatekeeper Inactive 2658 1CY5 VAL 43 H -7.016 10.398 -10.516 -4.831 4 440 297 763 699 Gatekeeper Inactive 2659 1CY5 ARG 44 H -6.583 9.028 -10.962 -4.935 3 425 344 869 965 Gatekeeper Inactive 2660 1CY5 ASN 45 H -6.574 9.004 -11.019 -4.946 3 527 435 972 1242 Selective Inactive 2661 1CY5 GLU 46 C -6.656 8.958 -11.004 -4.987 3 555 458 1077 1534 Selective Inactive 2662 1CY5 PRO 47 C -6.699 8.665 -11.04 -4.962 3 488 488 1149 1812 Gatekeeper Permissive 2663 1CY5 THR 48 C -6.949 7.757 -11.511 -5.051 3 594 474 1199 2074 Selective Permissive 2664 1CY5 GLN 49 H -8.902 7.711 -14.977 -5.56 6 847 479 1231 2330 Selective Permissive 2665 1CY5 GLN 50 H -9.911 7.421 -15.873 -5.257 6 954 468 1241 2590 Selective Selective 2666 1CY5 GLN 51 H -9.964 7.307 -15.71 -5.201 6 989 442 1242 2942 Selective Selective 2667 1CY5 ARG 52 H -13.221 12.089 -19.022 -5.704 8 1007 395 1232 3373 Selective Selective 2668 1CY5 ALA 53 H -11.557 17.568 -12.168 -4.974 7 1042 345 1208 3686 Selective Selective 2669 1CY5 ALA 54 H -11.393 17.183 -12.666 -5.067 7 1153 313 1173 3936 Selective Selective 2670 1CY5 MET 55 H -11.317 17.384 -12.815 -5.181 7 1325 280 1130 4165 Selective Selective 2671 1CY5 LEU 56 H -11.198 17.695 -12.795 -5.244 7 1426 250 1108 4462 Selective Selective 2672 1CY5 ILE 57 H -11.114 17.954 -12.8 -5.317 7 1461 205 1121 4809 Selective Selective 2673 1CY5 LYS 58 H -10.096 15.578 -12.251 -5.515 7 1355 115 1153 5247 Permissive Selective 2674 1CY5 MET 59 H -9.975 15.743 -12.378 -5.61 7 1395 122 1179 5769 Permissive Selective 2675 1CY5 ILE 60 H -9.914 15.544 -12.582 -5.625 7 1585 240 1242 6330 Selective Selective 2676 1CY5 LEU 61 H -9.905 15.303 -12.753 -5.644 7 1665 295 1293 6880 Selective Selective 2677 1CY5 LYS 62 C -9.86 14.628 -13.198 -5.674 7 1610 327 1345 7419 Selective Selective 2678 1CY5 LYS 63 C -10.402 13.527 -14.934 -5.935 8 1645 395 1410 7841 Selective Selective 2679 1CY5 ASP 64 C -10.722 11.414 -16.323 -5.917 8 1733 477 1468 7965 Selective Selective 2680 1CY5 ASN 65 H -11.049 9.347 -17.724 -6.007 6 1770 517 1531 7859 Selective Selective 2681 1CY5 ASP 66 H -11.224 8.781 -17.864 -5.98 6 1718 519 1569 7752 Selective Selective 2682 1CY5 SER 67 H -12.552 10.788 -18.598 -5.796 8 1619 529 1571 7603 Selective Selective 2683 1CY5 TYR 68 H -13.184 13.537 -17.689 -5.742 8 1455 546 1567 7334 Selective Selective 2684 1CY5 VAL 69 H -13.934 16.053 -17.353 -5.48 8 1336 538 1542 6879 Selective Selective 2685 1CY5 SER 70 H -14.281 18.267 -16.584 -5.475 8 1279 537 1479 6292 Selective Selective 2686 1CY5 PHE 71 H -13.907 20.474 -14.763 -5.332 8 1257 537 1391 5584 Selective Selective 2687 1CY5 TYR 72 H -12.766 17.932 -13.671 -4.86 7 1156 506 1282 4771 Selective Selective 2688 1CY5 ASN 73 H -9.985 13.314 -11.753 -4.547 7 897 352 1155 3933 Selective Selective 2689 1CY5 ALA 74 H -9.733 13.642 -11.784 -4.588 7 702 297 1034 3119 Selective Gatekeeper 2690 1CY5 LEU 75 H -8.311 12.105 -10.995 -4.956 5 500 247 925 2317 Selective Inactive 2691 1CY5 LEU 76 H -8.225 12.077 -11.228 -5.006 5 357 179 828 1628 Inactive Inactive 2692 1CY5 HIS 77 H -8.199 12.004 -11.357 -5.017 5 220 97 743 1135 Inactive Inactive 2693 1CY5 GLU 78 H -8.22 11.9 -11.403 -5.045 5 166 59 664 786 Inactive Inactive 2694 1CY5 GLY 79 C -8.229 11.824 -11.427 -5.052 5 145 57 610 501 Inactive Inactive 2695 1CY5 TYR 80 C -9.157 11.348 -13.376 -5.278 6 - - - - - - 2696 1CY5 LYS 81 H -9.061 9.89 -12.776 -4.366 5 - - - - - - 2697 1CY5 ASP 82 H -8.994 10.156 -12.281 -4.121 5 - - - - - - 2698 1CY5 LEU 83 H -8.99 10.488 -12.021 -4.051 5 - - - - - - 2699 1CY5 ALA 84 H -8.997 10.516 -11.953 -4.017 5 - - - - - - 2700 1CY5 ALA 85 H -8.996 10.539 -11.962 -4.029 5 - - - - - - 2701 1CY5 LEU 86 H -9.567 12.082 -11.949 -4.109 7 - - - - - - 2702 1CY5 LEU 87 H -8.56 14.073 -10.56 -5.234 7 - - - - - - 2703 1CY5 HIS 88 G -6.49 10.035 -8.803 -4.364 4 - - - - - - 2704 1CY5 ASP 89 G -5.975 9.542 -8.287 -3.923 2 - - - - - - 2705 1CY5 GLY 90 G -5.975 9.542 -8.287 -3.923 2 - - - - - - 2706 1CY5 ILE 91 C -5.975 9.542 -8.287 -3.923 2 - - - - - - 2707 1CY5 PRO 92 C -5.975 9.542 -8.287 -3.923 2 - - - - - - 2708 1CZT GLY 0 C -4.28 3.174 -8.897 -3.673 2 - - - - - - 2709 1CZT CYS 1 C -4.28 3.174 -8.897 -3.673 2 - - - - - - 2710 1CZT SER 2 C -4.28 3.174 -8.897 -3.673 2 - - - - - - 2711 1CZT THR 3 E -4.28 3.174 -8.897 -3.673 2 - - - - - - 2712 1CZT PRO 4 E -5.392 4.6 -10.041 -4.226 2 - - - - - - 2713 1CZT LEU 5 C -7.421 8.787 -12.335 -5.433 5 - - - - - - 2714 1CZT GLY 6 T -8.069 9.225 -13.872 -6.191 6 - - - - - - 2715 1CZT MET 7 T -7.976 7.757 -14.013 -5.824 6 - - - - - - 2716 1CZT GLU 8 T -7.217 7.323 -12.759 -5.303 3 - - - - - - 2717 1CZT ASN 9 T -6.842 7.265 -12.553 -5.271 3 - - - - - - 2718 1CZT GLY 10 T -6.823 7.272 -12.612 -5.278 3 - - - - - - 2719 1CZT LYS 11 T -6.83 7.269 -12.572 -5.259 3 - - - - - - 2720 1CZT ILE 12 T -6.904 7.21 -12.424 -5.191 3 731 1297 696 415 Gatekeeper Inactive 2721 1CZT GLU 13 T -7.223 7.299 -12.557 -5.259 3 667 904 700 395 Gatekeeper Inactive 2722 1CZT ASN 14 G -8.527 8.13 -14.553 -5.457 6 635 762 687 374 Gatekeeper Inactive 2723 1CZT LYS 15 G -8.891 9.449 -14.291 -5.296 6 615 564 677 345 Gatekeeper Inactive 2724 1CZT GLN 16 G -9.16 10.583 -13.948 -5.298 6 527 350 671 306 Inactive Inactive 2725 1CZT ILE 17 E -8.821 10.332 -13.05 -4.843 5 433 128 654 249 Inactive Inactive 2726 1CZT THR 18 E -8.902 10.506 -12.737 -4.617 5 387 111 644 200 Inactive Inactive 2727 1CZT ALA 19 E -8.922 10.606 -12.628 -4.591 5 365 100 655 164 Inactive Inactive 2728 1CZT SER 20 C -9.039 10.493 -12.676 -4.583 5 360 109 688 183 Inactive Inactive 2729 1CZT SER 21 C -9.048 10.473 -12.667 -4.587 5 296 154 753 267 Inactive Inactive 2730 1CZT PHE 22 C -8.289 12.393 -11.05 -5.189 7 266 256 864 416 Inactive Inactive 2731 1CZT LYS 23 C -5.92 7.204 -10.106 -4.87 3 272 292 941 554 Inactive Inactive 2732 1CZT LYS 24 E -2.857 5.522 -6.794 -4.668 2 276 336 1003 707 Inactive Inactive 2733 1CZT SER 25 E -2.826 5.455 -6.952 -4.674 2 291 432 1082 959 Inactive Inactive 2734 1CZT TRP 26 T -2.82 5.478 -6.982 -4.681 2 305 716 1177 1269 Gatekeeper Inactive 2735 1CZT TRP 27 T -2.82 5.477 -6.981 -4.681 2 295 770 1283 1605 Gatekeeper Permissive 2736 1CZT GLY 28 T -2.823 5.468 -6.964 -4.679 2 264 820 1397 1980 Gatekeeper Permissive 2737 1CZT ASP 29 E -4.491 4.699 -9.784 -4.809 2 279 843 1492 2422 Gatekeeper Permissive 2738 1CZT TYR 30 E -5.576 7.747 -9.881 -5.309 3 307 958 1591 2943 Gatekeeper Selective 2739 1CZT TRP 31 C -10.52 14.335 -14.561 -6.353 8 306 1003 1684 3419 Gatekeeper Selective 2740 1CZT GLU 32 C -11.293 16.568 -14.294 -5.973 8 258 1001 1742 3811 Gatekeeper Selective 2741 1CZT PRO 33 G -11.574 16.036 -12.724 -4.726 7 201 1037 1791 4008 Gatekeeper Selective 2742 1CZT PHE 34 G -11.603 15.764 -12.444 -4.491 7 219 1025 1793 4085 Gatekeeper Selective 2743 1CZT ARG 35 G -11.609 15.712 -12.424 -4.48 7 208 917 1781 4144 Gatekeeper Selective 2744 1CZT ALA 36 T -11.611 15.677 -12.428 -4.477 7 200 878 1778 4179 Gatekeeper Selective 2745 1CZT ARG 37 B -14.137 10.87 -20.079 -5.39 8 196 841 1752 4178 Gatekeeper Selective 2746 1CZT LEU 38 T -9.112 6.986 -14.676 -5.187 6 181 747 1705 4005 Gatekeeper Selective 2747 1CZT ASN 39 T -8.352 4.453 -15.119 -4.875 6 162 471 1659 3780 Gatekeeper Selective 2748 1CZT ALA 40 T -6.802 5.616 -11.232 -4.057 3 169 420 1620 3530 Inactive Selective 2749 1CZT GLN 41 C -6.703 5.687 -11.474 -4.149 3 162 392 1561 3249 Inactive Selective 2750 1CZT GLY 42 T -6.676 5.826 -11.505 -4.168 3 164 434 1507 2910 Inactive Permissive 2751 1CZT ARG 43 T -6.686 5.806 -11.452 -4.151 3 164 367 1448 2490 Inactive Permissive 2752 1CZT VAL 44 T -6.712 5.912 -11.277 -4.123 3 245 425 1380 2113 Inactive Permissive 2753 1CZT ASN 45 T -7.656 6.71 -12.655 -4.633 5 344 532 1332 1802 Gatekeeper Permissive 2754 1CZT ALA 46 C -8.524 8.836 -12.162 -4.578 5 527 609 1296 1759 Gatekeeper Permissive 2755 1CZT TRP 47 E -12.314 14.624 -15.771 -5.416 8 699 689 1292 1931 Gatekeeper Permissive 2756 1CZT GLN 48 E -9.528 8.585 -14.871 -5.546 6 970 793 1277 2003 Selective Permissive 2757 1CZT ALA 49 T -7.786 6.99 -13.139 -5.162 3 1164 880 1278 2129 Selective Permissive 2758 1CZT LYS 50 T -7.514 6.638 -13.555 -5.28 3 1357 956 1293 2298 Selective Permissive 2759 1CZT ALA 51 T -7.332 6.158 -13.837 -5.272 3 1544 1086 1315 2551 Selective Permissive 2760 1CZT ASN 52 T -7.303 6.191 -13.933 -5.309 3 1766 1157 1327 2811 Selective Permissive 2761 1CZT ASN 53 T -7.312 6.162 -13.926 -5.31 3 1920 1171 1322 3046 Selective Selective 2762 1CZT ASN 54 T -7.641 5.616 -14.582 -5.436 6 1992 1150 1306 3244 Selective Selective 2763 1CZT LYS 55 T -8 5.268 -14.842 -5.398 6 1994 1084 1294 3447 Selective Selective 2764 1CZT GLN 56 T -9.003 7.236 -15.82 -6.051 6 2004 1030 1272 3658 Selective Selective 2765 1CZT TRP 57 C -10.214 9.811 -16.071 -6.26 6 1965 922 1246 3886 Selective Selective 2766 1CZT LEU 58 E -12.387 14.565 -16.566 -6.153 8 1867 797 1203 4139 Selective Gatekeeper 2767 1CZT GLU 59 E -12.474 14.996 -15.655 -5.51 8 1694 662 1138 4237 Selective Gatekeeper 2768 1CZT ILE 60 E -10.645 13.69 -13.491 -5.345 7 1644 532 1047 4169 Selective Gatekeeper 2769 1CZT ASP 61 E -8.846 12.845 -11.675 -5.385 7 1440 412 954 4158 Permissive Gatekeeper 2770 1CZT LEU 62 E -8.099 13.298 -10.676 -5.287 7 1335 319 869 4195 Permissive Gatekeeper 2771 1CZT LEU 63 E -8.06 13.295 -10.813 -5.316 7 1189 235 810 4189 Permissive Gatekeeper 2772 1CZT LYS 64 E -8.053 13.322 -10.837 -5.32 7 1042 121 778 4178 Permissive Gatekeeper 2773 1CZT ILE 65 E -8.056 13.342 -10.817 -5.321 7 901 73 756 4126 Permissive Gatekeeper 2774 1CZT LYS 66 E -8.225 13.531 -10.571 -5.299 7 838 104 753 4078 Inactive Gatekeeper 2775 1CZT LYS 67 E -9.463 14.134 -12.721 -5.615 7 818 127 771 4012 Inactive Gatekeeper 2776 1CZT ILE 68 E -9.768 16.398 -11.086 -4.764 7 889 159 790 3883 Permissive Gatekeeper 2777 1CZT THR 69 E -9.782 16.601 -10.661 -4.506 7 907 178 853 3731 Permissive Gatekeeper 2778 1CZT ALA 70 E -9.857 16.564 -10.444 -4.362 7 950 203 942 3546 Permissive Gatekeeper 2779 1CZT ILE 71 E -9.877 16.563 -10.378 -4.333 7 1044 211 1018 3332 Permissive Gatekeeper 2780 1CZT ILE 72 E -9.977 16.576 -10.236 -4.285 7 1198 231 1109 3189 Permissive Gatekeeper 2781 1CZT THR 73 E -10.551 15.597 -11.967 -4.72 7 1239 248 1205 3114 Permissive Gatekeeper 2782 1CZT GLN 74 E -11.416 12.234 -17.007 -5.912 8 1304 253 1275 3054 Permissive Selective 2783 1CZT GLY 75 C -8.241 5.915 -14.025 -5.091 6 1324 253 1346 2933 Permissive Permissive 2784 1CZT CYS 76 E -6.845 5.122 -12.215 -4.593 3 1374 256 1410 2939 Permissive Selective 2785 1CZT LYS 77 E -5.522 4.621 -10.466 -4.322 2 1352 237 1463 3020 Permissive Selective 2786 1CZT SER 78 E -5.399 4.772 -10.593 -4.361 2 1297 205 1515 3294 Permissive Selective 2787 1CZT LEU 79 T -5.397 4.779 -10.603 -4.363 2 1209 154 1579 3743 Permissive Selective 2788 1CZT SER 80 T -5.402 4.77 -10.575 -4.357 2 1263 130 1630 4314 Permissive Selective 2789 1CZT SER 81 E -5.451 4.747 -10.45 -4.341 2 1204 98 1681 5032 Permissive Selective 2790 1CZT GLU 82 E -6.382 5.453 -11.187 -4.539 3 1193 79 1711 5810 Permissive Selective 2791 1CZT MET 83 E -8.891 7.335 -14.319 -5.226 6 1188 56 1728 6512 Permissive Selective 2792 1CZT TYR 84 E -12.542 13.233 -17.075 -5.881 8 1149 53 1760 7169 Permissive Selective 2793 1CZT VAL 85 E -13.689 17.006 -17.236 -5.994 8 1011 38 1773 7628 Permissive Selective 2794 1CZT LYS 86 E -13.64 17.548 -16.822 -5.935 8 881 21 1789 7905 Inactive Selective 2795 1CZT SER 87 E -13.831 18.14 -16.549 -5.702 8 762 28 1817 8025 Inactive Selective 2796 1CZT TYR 88 E -13.817 18.803 -16.186 -5.692 8 668 37 1834 8015 Inactive Selective 2797 1CZT THR 89 E -13.177 18.514 -15.488 -5.781 8 577 40 1855 7817 Inactive Selective 2798 1CZT ILE 90 E -12.972 18.457 -15.519 -5.876 8 567 60 1864 7566 Inactive Selective 2799 1CZT HIS 91 E -11.785 16.991 -16.453 -7.334 8 552 74 1834 7062 Inactive Selective 2800 1CZT TYR 92 E -9.441 13.49 -13.239 -6.154 7 549 123 1764 6366 Inactive Selective 2801 1CZT SER 93 E -5.999 6.738 -10.416 -4.881 3 433 138 1687 5579 Inactive Selective 2802 1CZT GLU 94 T -3.608 5.213 -7.953 -4.657 2 394 143 1590 4693 Inactive Selective 2803 1CZT GLN 95 T -3.533 5.591 -7.974 -4.695 2 339 145 1489 3771 Inactive Selective 2804 1CZT GLY 96 T -3.491 5.769 -8.004 -4.704 2 262 144 1382 2945 Inactive Selective 2805 1CZT VAL 97 T -3.487 5.795 -8.011 -4.702 2 205 139 1291 2163 Inactive Permissive 2806 1CZT GLU 98 T -3.495 5.781 -7.975 -4.699 2 173 134 1214 1561 Inactive Permissive 2807 1CZT TRP 99 C -4.486 8.327 -8.233 -4.875 2 118 134 1135 1095 Inactive Inactive 2808 1CZT LYS 100 E -5.015 8.253 -8.425 -4.755 2 100 122 1069 780 Inactive Inactive 2809 1CZT PRO 101 E -6.376 9.263 -8.916 -4.383 4 109 115 1035 597 Inactive Inactive 2810 1CZT TYR 102 C -11.406 14.294 -14.953 -5.257 8 176 109 973 482 Inactive Inactive 2811 1CZT ARG 103 C -8.177 8.326 -11.999 -4.44 5 182 89 891 320 Inactive Inactive 2812 1CZT LEU 104 T -5.383 5.163 -9.455 -4.05 2 177 76 847 267 Inactive Inactive 2813 1CZT LYS 105 T -4.388 3.424 -9.085 -3.813 2 217 27 835 248 Inactive Inactive 2814 1CZT SER 106 T -4.313 3.432 -9.268 -3.851 2 280 20 838 247 Inactive Inactive 2815 1CZT SER 107 T -4.312 3.437 -9.276 -3.853 2 335 19 861 260 Inactive Inactive 2816 1CZT MET 108 C -4.299 3.508 -9.305 -3.872 2 408 23 895 275 Inactive Inactive 2817 1CZT VAL 109 C -4.402 3.201 -9.28 -3.838 2 579 125 921 292 Inactive Inactive 2818 1CZT ASP 110 C -5.462 4.078 -10.672 -4.237 2 722 174 963 318 Inactive Inactive 2819 1CZT LYS 111 C -6.5 7.186 -11.012 -4.766 3 908 242 1003 367 Permissive Inactive 2820 1CZT ILE 112 E -6.543 7.26 -10.834 -4.754 3 1128 342 1043 416 Permissive Inactive 2821 1CZT PHE 113 E -8.438 12.498 -11.445 -5.095 7 1285 442 1080 452 Permissive Inactive 2822 1CZT GLU 114 E -8.316 10.635 -12.349 -5.077 5 1403 598 1068 466 Selective Inactive 2823 1CZT GLY 115 C -8.136 9.648 -12.847 -5.135 5 1558 1043 1102 519 Selective Inactive 2824 1CZT ASN 116 C -8.072 7.089 -14.075 -5.133 6 1642 1182 1162 626 Selective Inactive 2825 1CZT THR 117 C -5.314 4.963 -10.253 -4.688 3 1671 1209 1212 713 Selective Permissive 2826 1CZT ASN 118 T -5.265 5.06 -10.398 -4.728 3 1709 1517 1248 781 Selective Permissive 2827 1CZT THR 119 T -5.251 5.109 -10.434 -4.731 3 1717 1726 1273 847 Selective Permissive 2828 1CZT LYS 120 T -5.217 5.269 -10.458 -4.742 3 1740 2081 1284 891 Selective Permissive 2829 1CZT GLY 121 T -5.219 5.268 -10.45 -4.742 3 1709 2374 1277 926 Selective Permissive 2830 1CZT HIS 122 C -6.313 7.034 -11.698 -5.048 3 1559 2544 1278 968 Selective Permissive 2831 1CZT VAL 123 E -6.688 7.78 -11.375 -4.925 3 1447 3063 1265 1049 Selective Permissive 2832 1CZT LYS 124 E -6.883 8.148 -11.079 -4.953 3 1322 3735 1223 1104 Selective Permissive 2833 1CZT ASN 125 E -8.682 10.933 -12.93 -5.224 6 1171 4546 1183 1172 Selective Inactive 2834 1CZT PHE 126 E -8.467 13.702 -10.219 -4.579 7 1150 5513 1145 1267 Selective Inactive 2835 1CZT PHE 127 E -8.332 14.382 -9.476 -4.36 4 1136 6377 1119 1365 Selective Inactive 2836 1CZT ASN 128 E -6.743 11.745 -7.632 -3.848 4 1273 7392 1058 1461 Selective Inactive 2837 1CZT PRO 129 E -6.59 12.087 -7.649 -3.885 4 1594 8618 988 1549 Selective Inactive 2838 1CZT PRO 130 E -6.59 12.089 -7.65 -3.885 4 1780 9250 918 1678 Selective Inactive 2839 1CZT ILE 131 E -6.607 12.036 -7.599 -3.872 4 1828 9352 838 1852 Selective Inactive 2840 1CZT ILE 132 E -6.618 11.982 -7.574 -3.868 4 1802 9409 780 2050 Selective Inactive 2841 1CZT SER 133 E -7.45 13.305 -7.81 -4.043 4 1798 9282 743 2323 Selective Inactive 2842 1CZT ARG 134 E -10.776 15.522 -11.507 -4.507 7 1852 9309 715 2707 Selective Inactive 2843 1CZT PHE 135 E -13.349 18.135 -14.515 -4.874 8 1898 9232 706 3137 Selective Gatekeeper 2844 1CZT ILE 136 E -13.078 19.478 -12.632 -4.356 7 1887 8695 688 3518 Selective Gatekeeper 2845 1CZT ARG 137 E -12.128 18.389 -12.302 -4.691 7 1843 7978 709 3996 Selective Gatekeeper 2846 1CZT VAL 138 E -9.714 15.479 -10.125 -4.471 7 1796 7100 755 4560 Selective Gatekeeper 2847 1CZT ILE 139 E -9.474 15.776 -10.343 -4.631 7 1672 6073 804 5207 Selective Gatekeeper 2848 1CZT PRO 140 E -9.335 15.665 -10.72 -4.802 7 1542 5064 868 6001 Selective Gatekeeper 2849 1CZT LYS 141 E -9.291 15.409 -11.06 -4.902 7 1181 3607 964 6878 Selective Gatekeeper 2850 1CZT THR 142 E -9.291 15.363 -11.091 -4.909 7 791 2274 1074 7728 Gatekeeper Gatekeeper 2851 1CZT TRP 143 E -9.677 15.292 -12.049 -5.321 7 579 1657 1204 8579 Gatekeeper Gatekeeper 2852 1CZT ASN 144 E -9.973 13.977 -13.511 -5.671 7 464 1330 1354 9333 Gatekeeper Selective 2853 1CZT GLN 145 T -10.485 12.2 -15.611 -5.988 8 440 1114 1483 10006 Gatekeeper Selective 2854 1CZT SER 146 T -10.951 12.19 -15.822 -5.758 8 372 909 1602 10433 Gatekeeper Selective 2855 1CZT ILE 147 C -11.012 12.346 -15.617 -5.741 8 - - - - - - 2856 1CZT THR 148 E -11.044 12.282 -15.56 -5.742 8 - - - - - - 2857 1CZT LEU 149 E -11.901 14.988 -14.511 -5.486 8 - - - - - - 2858 1CZT ARG 150 E -14.44 18.221 -16.838 -5.54 8 - - - - - - 2859 1CZT LEU 151 E -12.808 19.468 -13.299 -5.416 8 - - - - - - 2860 1CZT GLU 152 E -12.821 19.49 -13.289 -5.453 8 - - - - - - 2861 1CZT LEU 153 E -11.897 18.07 -14.76 -6.688 8 - - - - - - 2862 1CZT PHE 154 E -9.372 12.623 -13.465 -6.159 6 - - - - - - 2863 1CZT GLY 155 E -5.599 6.479 -10.107 -4.926 3 - - - - - - 2864 1CZT CYS 156 E -4.449 5.77 -8.109 -4.007 2 - - - - - - 2865 1CZT ASP 157 E -4.449 5.77 -8.109 -4.007 2 - - - - - - 2866 1CZT ILE 158 C -4.449 5.77 -8.109 -4.007 2 - - - - - - 2867 1CZT TYR 159 C -4.449 5.77 -8.109 -4.007 2 - - - - - - 2868 1D7P LEU 1 C -3.643 0.818 -8.881 -3.542 1 - - - - - - 2869 1D7P ASN 2 T -3.643 0.818 -8.881 -3.542 1 - - - - - - 2870 1D7P SER 3 T -3.643 0.818 -8.881 -3.542 1 - - - - - - 2871 1D7P CYS 4 T -3.643 0.818 -8.881 -3.542 1 - - - - - - 2872 1D7P SER 5 T -5.519 2.624 -12.025 -4.495 3 - - - - - - 2873 1D7P MET 6 E -6.372 4.985 -12.863 -4.993 3 - - - - - - 2874 1D7P PRO 7 E -6.707 6.658 -12.3 -4.992 3 - - - - - - 2875 1D7P LEU 8 C -7.143 9.449 -10.389 -4.347 4 - - - - - - 2876 1D7P GLY 9 T -7.123 9.45 -10.439 -4.362 4 - - - - - - 2877 1D7P MET 10 T -7.507 9.773 -11.855 -5.031 5 - - - - - - 2878 1D7P GLU 11 T -6.955 8.48 -10.97 -4.604 5 - - - - - - 2879 1D7P SER 12 T -6.946 8.24 -11.048 -4.555 5 - - - - - - 2880 1D7P LYS 13 T -6.935 8.207 -11.105 -4.556 5 140 211 296 45 Inactive Inactive 2881 1D7P ALA 14 T -6.948 8.106 -11.062 -4.501 5 194 186 269 27 Inactive Inactive 2882 1D7P ILE 15 T -7.069 8.025 -10.798 -4.363 5 208 102 238 19 Inactive Inactive 2883 1D7P SER 16 T -8.229 6.904 -13.588 -4.426 5 219 74 219 12 Inactive Inactive 2884 1D7P ASP 17 G -8.499 6.99 -14.384 -4.757 5 234 57 220 10 Inactive Inactive 2885 1D7P ALA 18 G -8.633 7.346 -14.338 -4.759 5 259 74 235 15 Inactive Inactive 2886 1D7P GLN 19 G -8.994 8.744 -14.355 -5.056 6 278 76 277 22 Inactive Inactive 2887 1D7P ILE 20 E -8.84 9.195 -13.797 -4.881 6 279 57 311 27 Inactive Inactive 2888 1D7P THR 21 E -8.842 10.093 -13.211 -4.792 5 329 72 359 29 Inactive Inactive 2889 1D7P ALA 22 E -9.003 10.681 -12.754 -4.666 5 343 83 425 35 Inactive Inactive 2890 1D7P SER 23 T -9.132 10.771 -12.698 -4.698 5 353 189 523 48 Permissive Inactive 2891 1D7P SER 24 T -9.132 10.773 -12.705 -4.703 5 367 330 639 78 Permissive Inactive 2892 1D7P TYR 25 T -9.034 11.224 -12.685 -4.982 7 399 514 784 146 Permissive Inactive 2893 1D7P PHE 26 C -7.386 6.306 -12.101 -4.566 3 400 623 894 209 Permissive Inactive 2894 1D7P THR 27 E -4.424 4.214 -8.865 -4.237 2 345 625 982 316 Permissive Inactive 2895 1D7P ASN 28 E -4.212 4.324 -9.069 -4.295 2 330 644 1078 430 Inactive Inactive 2896 1D7P MET 29 T -4.212 4.327 -9.071 -4.295 2 331 677 1180 542 Inactive Inactive 2897 1D7P PHE 30 T -4.212 4.326 -9.07 -4.295 2 345 751 1272 646 Permissive Inactive 2898 1D7P ALA 31 E -4.215 4.318 -9.056 -4.294 2 329 754 1368 747 Inactive Inactive 2899 1D7P THR 32 E -4.923 4.586 -9.537 -4.427 2 311 756 1437 839 Inactive Permissive 2900 1D7P TRP 33 C -8.624 10.806 -12.031 -5.118 5 292 761 1502 925 Inactive Permissive 2901 1D7P SER 34 C -10.375 11.941 -13.777 -4.805 7 253 767 1560 1046 Inactive Permissive 2902 1D7P PRO 35 G -10.456 11.78 -13.577 -4.696 7 255 805 1610 1156 Gatekeeper Permissive 2903 1D7P SER 36 G -10.484 11.613 -13.538 -4.674 7 244 705 1633 1241 Inactive Permissive 2904 1D7P LYS 37 G -10.507 11.475 -13.5 -4.656 7 234 583 1633 1302 Inactive Permissive 2905 1D7P ALA 38 T -10.509 11.459 -13.493 -4.653 7 230 434 1591 1318 Inactive Permissive 2906 1D7P ARG 39 B -12.81 12.016 -17.839 -5.436 8 221 385 1548 1293 Inactive Permissive 2907 1D7P LEU 40 T -7.93 8.82 -11.903 -4.986 5 215 408 1492 1193 Inactive Permissive 2908 1D7P HIS 41 T -6.138 5.632 -10.482 -4.261 2 201 411 1446 1095 Inactive Permissive 2909 1D7P LEU 42 T -5.95 5.668 -10.612 -4.25 2 179 404 1396 1006 Inactive Permissive 2910 1D7P GLN 43 C -5.869 5.544 -10.827 -4.276 2 158 450 1348 927 Inactive Inactive 2911 1D7P GLY 44 T -5.76 5.81 -10.803 -4.296 2 163 631 1301 855 Inactive Inactive 2912 1D7P ARG 45 T -5.775 5.731 -10.775 -4.278 2 177 735 1266 811 Inactive Inactive 2913 1D7P SER 46 T -6.205 6.008 -11.162 -4.336 3 180 817 1245 778 Gatekeeper Inactive 2914 1D7P ASN 47 T -6.526 6.185 -11.309 -4.417 3 169 925 1235 713 Gatekeeper Inactive 2915 1D7P ALA 48 C -6.816 7.124 -10.688 -4.394 3 164 1133 1208 724 Gatekeeper Inactive 2916 1D7P TRP 49 B -11.745 14.345 -13.882 -4.636 7 180 1350 1212 813 Gatekeeper Inactive 2917 1D7P ARG 50 C -10.478 11.53 -14.275 -5.322 6 182 1464 1223 956 Gatekeeper Inactive 2918 1D7P PRO 51 T -7.988 9.37 -11.973 -5.165 5 166 1535 1251 1182 Gatekeeper Inactive 2919 1D7P GLN 52 T -7.767 8.916 -12.401 -5.181 5 167 1580 1308 1654 Gatekeeper Inactive 2920 1D7P VAL 53 T -7.592 8.035 -12.751 -5.034 3 181 1644 1406 2356 Gatekeeper Selective 2921 1D7P ASN 54 T -7.539 8.041 -12.868 -5.058 3 202 1733 1511 3166 Gatekeeper Selective 2922 1D7P ASN 55 T -7.531 8.076 -12.878 -5.064 3 212 1715 1612 4074 Gatekeeper Selective 2923 1D7P PRO 56 T -7.89 7.028 -13.666 -4.982 3 209 1594 1705 5092 Gatekeeper Selective 2924 1D7P LYS 57 T -8.178 6.477 -13.866 -4.836 3 209 1391 1773 6103 Gatekeeper Selective 2925 1D7P GLU 58 T -8.86 8.679 -14.064 -5.34 6 199 1274 1835 7088 Gatekeeper Selective 2926 1D7P TRP 59 C -9.844 11.062 -13.878 -5.449 6 197 1180 1868 8077 Gatekeeper Selective 2927 1D7P LEU 60 E -11.993 14.078 -15.046 -5.458 8 196 1051 1879 9088 Gatekeeper Selective 2928 1D7P GLN 61 E -14.173 15.574 -18.746 -6.125 8 175 794 1887 9919 Gatekeeper Selective 2929 1D7P VAL 62 E -12.665 14.18 -16.309 -5.743 8 157 570 1854 10530 Inactive Selective 2930 1D7P ASP 63 E -11.628 14.072 -15.924 -6.271 8 152 438 1797 10977 Inactive Selective 2931 1D7P PHE 64 E -10.734 15.249 -14.307 -6.269 8 150 333 1733 11325 Inactive Selective 2932 1D7P GLN 65 E -10.452 14.641 -14.78 -6.395 8 164 246 1655 11365 Inactive Selective 2933 1D7P LYS 66 E -10.42 14.716 -14.863 -6.417 8 150 151 1567 11102 Inactive Selective 2934 1D7P THR 67 E -10.413 14.776 -14.824 -6.402 8 129 41 1457 10634 Inactive Selective 2935 1D7P MET 68 E -10.348 14.698 -14.546 -6.187 8 129 38 1353 9964 Inactive Gatekeeper 2936 1D7P LYS 69 E -9.938 14.093 -12.669 -5.129 7 136 61 1268 9106 Inactive Gatekeeper 2937 1D7P VAL 70 E -9.096 13.668 -10.674 -4.469 7 176 116 1192 8196 Inactive Gatekeeper 2938 1D7P THR 71 E -8.987 13.578 -10.91 -4.535 7 199 123 1141 7275 Inactive Gatekeeper 2939 1D7P GLY 72 E -8.985 13.564 -10.932 -4.538 7 202 123 1140 6323 Inactive Gatekeeper 2940 1D7P VAL 73 E -8.992 13.548 -10.908 -4.53 7 203 124 1153 5333 Inactive Gatekeeper 2941 1D7P THR 74 E -9.08 13.451 -10.811 -4.507 7 223 124 1177 4453 Inactive Gatekeeper 2942 1D7P THR 75 E -9.939 13.143 -12.702 -5.013 7 231 124 1208 3773 Inactive Gatekeeper 2943 1D7P GLN 76 E -10.857 12.326 -15.915 -5.668 8 229 122 1267 3232 Inactive Gatekeeper 2944 1D7P GLY 77 C -6.373 8.758 -9.143 -4.384 4 221 120 1316 2710 Inactive Gatekeeper 2945 1D7P VAL 78 E -4.814 7.439 -7.459 -3.945 2 205 102 1369 2360 Inactive Gatekeeper 2946 1D7P LYS 79 E -2.332 6.17 -5.142 -4.162 2 215 100 1422 2229 Inactive Selective 2947 1D7P SER 80 E -2.308 6.165 -5.257 -4.173 2 296 98 1476 2317 Inactive Selective 2948 1D7P LEU 81 T -2.307 6.167 -5.261 -4.173 2 348 92 1538 2634 Permissive Selective 2949 1D7P LEU 82 T -2.308 6.164 -5.257 -4.173 2 373 66 1598 3100 Permissive Selective 2950 1D7P THR 83 E -2.316 6.144 -5.224 -4.174 2 387 12 1674 3689 Permissive Selective 2951 1D7P SER 84 E -4.225 5.855 -7.868 -4.288 2 483 15 1746 4365 Permissive Selective 2952 1D7P MET 85 E -6.524 8.01 -10.299 -4.817 3 663 48 1804 5143 Permissive Selective 2953 1D7P TYR 86 E -10.831 13.793 -13.635 -5.368 7 847 170 1866 5968 Permissive Selective 2954 1D7P VAL 87 E -12.809 18.338 -14.988 -5.585 8 955 187 1940 6776 Permissive Selective 2955 1D7P LYS 88 E -12.261 19.676 -13.105 -5.518 8 1104 230 1992 7442 Permissive Selective 2956 1D7P GLU 89 E -12.168 19.691 -13.136 -5.507 8 1287 327 2041 7931 Permissive Selective 2957 1D7P PHE 90 E -12.105 19.717 -13.058 -5.434 8 1471 432 2069 8303 Permissive Selective 2958 1D7P LEU 91 E -11.958 18.512 -13.572 -5.362 8 1579 452 2118 8481 Permissive Selective 2959 1D7P ILE 92 E -12.02 18.3 -13.667 -5.366 8 1832 554 2157 8472 Permissive Selective 2960 1D7P SER 93 E -12.294 15.185 -15.712 -5.318 8 2421 1174 2192 8223 Selective Selective 2961 1D7P SER 94 E -11.004 7.429 -17.902 -5.686 6 2913 1668 2162 7759 Selective Selective 2962 1D7P SER 95 E -8.697 4.281 -15.565 -5.143 6 3274 2047 2115 7185 Selective Selective 2963 1D7P GLN 96 T -6.898 3.15 -13.576 -4.885 3 3509 2418 2032 6538 Selective Selective 2964 1D7P ASP 97 T -6.124 6.545 -11.526 -5.201 3 3718 2703 1939 5817 Selective Selective 2965 1D7P GLY 98 T -5.986 6.952 -11.411 -5.192 3 3739 2856 1846 5007 Selective Selective 2966 1D7P HIS 99 T -5.963 7.151 -11.361 -5.183 3 3920 2897 1748 4147 Selective Selective 2967 1D7P GLN 100 T -5.969 7.18 -11.32 -5.183 3 4060 3057 1616 3294 Selective Selective 2968 1D7P TRP 101 C -6.1 8.192 -10.787 -5.26 3 4091 3368 1527 2546 Selective Selective 2969 1D7P THR 102 E -6.813 9.1 -10.837 -5.125 3 3983 3386 1446 1955 Selective Permissive 2970 1D7P LEU 103 E -7.884 12.189 -10.198 -4.987 4 3848 3411 1374 1482 Selective Permissive 2971 1D7P PHE 104 C -9.183 12.47 -13.106 -5.771 7 3781 3516 1291 1135 Selective Inactive 2972 1D7P PHE 105 E -5.624 5.426 -10.625 -4.903 3 3534 3477 1199 845 Selective Inactive 2973 1D7P GLN 106 E -3.899 4.71 -8.507 -4.578 2 2986 2988 1104 657 Selective Inactive 2974 1D7P ASN 107 T -3.871 4.785 -8.576 -4.585 2 2578 2615 1053 550 Selective Inactive 2975 1D7P GLY 108 T -3.853 4.883 -8.59 -4.581 2 2239 2296 996 476 Selective Inactive 2976 1D7P LYS 109 E -3.853 4.883 -8.59 -4.581 2 1969 1938 966 400 Selective Inactive 2977 1D7P VAL 110 E -3.884 4.854 -8.481 -4.563 2 1674 1771 925 330 Selective Inactive 2978 1D7P LYS 111 C -5.391 7.022 -9.597 -4.607 2 1508 1753 882 270 Selective Inactive 2979 1D7P VAL 112 C -5.924 8.02 -9.024 -4.433 2 1226 1896 837 231 Selective Inactive 2980 1D7P PHE 113 E -9.848 13.163 -12.503 -4.831 7 1015 1996 811 207 Selective Inactive 2981 1D7P GLN 114 E -10.615 10.926 -15.969 -5.474 6 921 1960 750 178 Selective Inactive 2982 1D7P GLY 115 C -9.791 8.006 -15.873 -5.463 6 889 2095 684 151 Selective Inactive 2983 1D7P ASN 116 C -9.82 7.589 -16.018 -5.447 6 873 2058 648 125 Selective Inactive 2984 1D7P GLN 117 C -8.222 8.327 -12.669 -4.931 5 847 2080 624 107 Selective Inactive 2985 1D7P ASP 118 T -8.005 8.715 -12.552 -4.902 5 874 2689 633 111 Selective Inactive 2986 1D7P SER 119 T -7.973 8.809 -12.568 -4.889 5 802 3297 659 124 Selective Inactive 2987 1D7P PHE 120 T -7.606 9.442 -11.383 -4.498 5 754 4123 698 147 Selective Inactive 2988 1D7P THR 121 T -7.479 9.182 -11.433 -4.398 5 824 4853 778 175 Selective Inactive 2989 1D7P PRO 122 C -7.003 8.868 -10.089 -3.94 4 858 5543 855 229 Selective Inactive 2990 1D7P VAL 123 E -7.007 8.904 -9.998 -3.888 4 877 5870 927 323 Selective Inactive 2991 1D7P VAL 124 E -6.659 9.397 -9.648 -4.016 4 894 6265 984 469 Selective Inactive 2992 1D7P ASN 125 E -6.63 9.378 -9.646 -4.011 4 932 6644 1063 680 Selective Inactive 2993 1D7P CYS 126 E -4.748 8.957 -5.882 -3.425 1 994 7075 1140 981 Selective Inactive 2994 1D7P LEU 127 E -4.725 9.094 -5.882 -3.433 1 1100 7485 1224 1355 Selective Inactive 2995 1D7P ASP 128 E -4.52 8.994 -6.113 -3.481 1 1248 8131 1316 1813 Selective Inactive 2996 1D7P PRO 129 E -4.517 9.018 -6.112 -3.483 1 1364 8860 1406 2392 Selective Selective 2997 1D7P PRO 130 E -4.519 9.015 -6.097 -3.481 1 1412 9058 1472 3083 Selective Selective 2998 1D7P LEU 131 E -5.147 9.157 -6.786 -3.629 2 1384 8527 1536 3880 Selective Selective 2999 1D7P LEU 132 E -5.212 8.883 -6.77 -3.623 2 1349 7864 1582 4745 Selective Selective 3000 1D7P THR 133 E -6.915 11.111 -8.318 -4.092 4 1262 6965 1615 5689 Selective Selective 3001 1D7P ARG 134 E -9.954 13.376 -11.583 -4.567 7 1162 6249 1621 6684 Selective Selective 3002 1D7P TYR 135 E -13.555 16.893 -15.751 -5.226 8 1107 5598 1607 7698 Selective Selective 3003 1D7P LEU 136 E -13.863 18.451 -15.197 -5.105 8 1058 5156 1593 8559 Selective Selective 3004 1D7P ARG 137 E -14.121 18.797 -15.465 -5.168 8 1006 4605 1582 9208 Selective Selective 3005 1D7P ILE 138 E -12.87 16.508 -14.733 -5.122 8 901 3935 1542 9778 Selective Selective 3006 1D7P HIS 139 E -12.741 16.746 -14.862 -5.2 8 803 3232 1502 10278 Selective Selective 3007 1D7P PRO 140 E -12.462 16.739 -14.66 -5.124 8 622 2518 1484 10690 Selective Selective 3008 1D7P GLN 141 E -11.636 14.452 -14.907 -5.439 8 468 1625 1459 10992 Selective Selective 3009 1D7P SER 142 E -11.495 14.045 -15.217 -5.465 8 341 804 1438 11090 Gatekeeper Selective 3010 1D7P TRP 143 E -11.023 14.38 -14.191 -5.325 8 311 464 1419 11014 Inactive Selective 3011 1D7P VAL 144 E -10.21 12.849 -13.32 -4.939 7 298 329 1389 10702 Inactive Selective 3012 1D7P HIS 145 T -10.132 13.148 -13.24 -4.935 7 297 259 1362 10252 Inactive Gatekeeper 3013 1D7P GLN 146 T -10.169 13.109 -13.13 -4.897 7 291 213 1359 9686 Inactive Gatekeeper 3014 1D7P ILE 147 C -10.182 13.123 -13.055 -4.882 7 - - - - - - 3015 1D7P ALA 148 C -10.273 12.853 -12.992 -4.828 7 - - - - - - 3016 1D7P LEU 149 B -11.335 15.38 -12.791 -4.918 7 - - - - - - 3017 1D7P ARG 150 E -14.232 17.866 -16.511 -5.318 8 - - - - - - 3018 1D7P MET 151 E -11.851 15.274 -14.014 -5.3 8 - - - - - - 3019 1D7P GLU 152 E -11.851 15.257 -14.062 -5.33 8 - - - - - - 3020 1D7P VAL 153 E -11.101 14.466 -14.948 -6.13 8 - - - - - - 3021 1D7P LEU 154 E -9.342 11.202 -13.93 -5.943 6 - - - - - - 3022 1D7P GLY 155 E -6.288 6.627 -10.902 -4.932 3 - - - - - - 3023 1D7P CYS 156 E -5.07 5.713 -8.882 -4.005 2 - - - - - - 3024 1D7P GLU 157 E -5.07 5.713 -8.882 -4.005 2 - - - - - - 3025 1D7P ALA 158 C -5.07 5.713 -8.882 -4.005 2 - - - - - - 3026 1D7P GLN 159 C -5.07 5.713 -8.882 -4.005 2 - - - - - - 3027 1DV8 CYS 153 C -3.717 2.646 -8.031 -3.452 1 - - - - - - 3028 1DV8 PRO 154 T -3.717 2.646 -8.031 -3.452 1 - - - - - - 3029 1DV8 VAL 155 T -3.717 2.646 -8.031 -3.452 1 - - - - - - 3030 1DV8 ASN 156 T -3.717 2.646 -8.031 -3.452 1 - - - - - - 3031 1DV8 TRP 157 T -5.237 7.859 -8.531 -4.528 2 - - - - - - 3032 1DV8 VAL 158 E -6.842 9.384 -11.19 -5.315 3 - - - - - - 3033 1DV8 GLU 159 E -7.45 10.168 -12.169 -5.737 5 - - - - - - 3034 1DV8 HIS 160 E -8.178 8.523 -12.862 -4.712 5 - - - - - - 3035 1DV8 GLU 161 T -8.196 8.384 -12.783 -4.636 5 - - - - - - 3036 1DV8 ARG 162 T -8.218 8.179 -12.741 -4.585 5 - - - - - - 3037 1DV8 SER 163 E -8.536 8.364 -12.93 -4.806 5 - - - - - - 3038 1DV8 CYS 164 E -9.838 7.671 -14.824 -4.878 6 - - - - - - 3039 1DV8 TYR 165 E -13.256 11.567 -17.577 -5.151 8 6895 2608 1058 550 Selective Inactive 3040 1DV8 TRP 166 E -14.487 15.011 -17.685 -5.211 8 6905 2588 1090 599 Selective Inactive 3041 1DV8 PHE 167 E -9.93 11.84 -13.179 -5.158 7 6593 2424 1105 593 Selective Inactive 3042 1DV8 SER 168 C -9.121 9.597 -13.693 -5.171 6 5944 2252 1112 608 Selective Inactive 3043 1DV8 ARG 169 C -8.642 9.263 -13.087 -4.833 5 5364 2153 1123 630 Selective Inactive 3044 1DV8 SER 170 C -8.611 9.459 -13.062 -4.834 5 4683 1950 1148 659 Selective Inactive 3045 1DV8 GLY 171 C -8.588 9.607 -13.051 -4.838 5 3866 1898 1171 683 Selective Inactive 3046 1DV8 LYS 172 B -8.641 9.407 -13.057 -4.802 5 3105 1690 1182 716 Selective Inactive 3047 1DV8 ALA 173 C -8.834 9.851 -12.652 -4.599 5 2386 1509 1198 756 Selective Inactive 3048 1DV8 TRP 174 H -9.69 12.65 -12.848 -4.725 7 1670 1270 1214 801 Permissive Permissive 3049 1DV8 ALA 175 H -9.797 11.641 -13.487 -4.703 7 1354 995 1220 812 Permissive Permissive 3050 1DV8 ASP 176 H -9.996 10.946 -13.803 -4.612 7 1146 785 1221 778 Permissive Permissive 3051 1DV8 ALA 177 H -10.134 10.651 -13.77 -4.543 7 920 598 1196 712 Inactive Inactive 3052 1DV8 ASP 178 H -10.75 8.397 -15.896 -4.884 6 880 388 1141 610 Inactive Inactive 3053 1DV8 ASN 179 H -10.754 8.225 -15.974 -4.882 6 1052 342 1068 548 Inactive Inactive 3054 1DV8 TYR 180 H -12.14 10.396 -17.825 -5.223 8 1308 313 1009 514 Permissive Inactive 3055 1DV8 CYS 181 H -10.378 5.795 -16.313 -4.623 6 1427 289 946 453 Permissive Inactive 3056 1DV8 ARG 182 H -8.275 6.703 -12.685 -4.255 5 1457 232 878 388 Permissive Inactive 3057 1DV8 LEU 183 H -8.075 7.186 -12.672 -4.331 5 1413 152 817 334 Permissive Inactive 3058 1DV8 GLU 184 H -8.05 7.388 -12.657 -4.345 5 1442 103 782 309 Permissive Inactive 3059 1DV8 ASP 185 C -8.037 7.498 -12.638 -4.338 5 1533 89 754 339 Permissive Inactive 3060 1DV8 ALA 186 C -8.046 7.562 -12.566 -4.332 5 1630 64 742 373 Permissive Inactive 3061 1DV8 HIS 187 E -8.676 9.259 -12.523 -4.496 5 1726 57 730 439 Permissive Inactive 3062 1DV8 LEU 188 E -8.827 15.205 -9.096 -4.039 4 1781 62 715 592 Permissive Inactive 3063 1DV8 VAL 189 C -8.444 14.4 -8.918 -3.923 4 1769 57 705 721 Permissive Inactive 3064 1DV8 VAL 190 C -8.428 14.447 -8.962 -3.962 4 1726 51 706 879 Permissive Inactive 3065 1DV8 VAL 191 C -8.414 14.363 -9.086 -3.995 4 1565 47 724 1033 Permissive Inactive 3066 1DV8 THR 192 C -8.415 14.319 -9.12 -4.006 4 1380 39 750 1198 Permissive Inactive 3067 1DV8 SER 193 C -8.683 13.256 -9.763 -4.063 4 1140 33 764 1366 Permissive Gatekeeper 3068 1DV8 TRP 194 H -9.747 12.987 -12.37 -4.767 7 1105 151 803 1527 Permissive Gatekeeper 3069 1DV8 GLU 195 H -10.369 11.639 -14.152 -5.169 6 1153 250 845 1639 Permissive Gatekeeper 3070 1DV8 GLU 196 H -11.396 10.436 -16.591 -5.746 8 1180 383 865 1712 Permissive Gatekeeper 3071 1DV8 GLN 197 H -14.182 13.052 -20.067 -5.996 8 1154 528 859 1710 Permissive Gatekeeper 3072 1DV8 LYS 198 H -11.171 13.942 -12.948 -4.648 7 1053 708 850 1660 Permissive Gatekeeper 3073 1DV8 PHE 199 H -10.749 14.218 -12.756 -4.642 7 964 942 844 1610 Inactive Gatekeeper 3074 1DV8 VAL 200 H -10.459 13.762 -12.851 -4.576 7 826 991 828 1549 Inactive Gatekeeper 3075 1DV8 GLN 201 H -8.766 10.065 -12.308 -4.82 5 687 1049 825 1431 Inactive Gatekeeper 3076 1DV8 HIS 202 H -6.896 8.713 -9.768 -4.162 4 619 1108 820 1370 Inactive Gatekeeper 3077 1DV8 HIS 203 H -6.849 8.765 -9.863 -4.16 4 580 1152 853 1317 Inactive Gatekeeper 3078 1DV8 ILE 204 H -6.598 8.547 -10.021 -4.178 4 556 1274 898 1278 Inactive Inactive 3079 1DV8 GLY 205 T -6.444 8.512 -10.198 -4.273 4 537 1447 960 1247 Gatekeeper Inactive 3080 1DV8 PRO 206 T -6.454 8.5 -10.161 -4.263 4 537 1577 1043 1258 Gatekeeper Inactive 3081 1DV8 VAL 207 T -6.812 8.373 -10.583 -4.372 5 458 1608 1139 1324 Gatekeeper Gatekeeper 3082 1DV8 ASN 208 C -6.856 8.294 -10.548 -4.39 5 362 1695 1217 1476 Gatekeeper Selective 3083 1DV8 THR 209 E -7.309 8.474 -10.805 -4.595 5 297 1678 1306 1721 Gatekeeper Selective 3084 1DV8 TRP 210 E -10.044 15.306 -11.577 -4.98 7 270 1897 1418 2061 Gatekeeper Selective 3085 1DV8 MET 211 E -11.157 16.915 -13.561 -5.634 8 255 1999 1506 2385 Gatekeeper Selective 3086 1DV8 GLY 212 E -11.117 16.484 -13.984 -5.741 8 203 1983 1549 2596 Gatekeeper Selective 3087 1DV8 LEU 213 E -11.166 14.537 -14.98 -5.642 8 214 2121 1612 2696 Gatekeeper Selective 3088 1DV8 HIS 214 E -8.218 8.027 -13.658 -5.741 6 235 2280 1663 2745 Gatekeeper Selective 3089 1DV8 ASP 215 T -6.275 5.819 -11.88 -5.317 3 295 2573 1720 2783 Gatekeeper Selective 3090 1DV8 GLN 216 T -6.054 7.632 -11.142 -5.369 3 298 2738 1760 2774 Gatekeeper Selective 3091 1DV8 ASN 217 T -5.694 9.009 -9.974 -5.144 3 292 2790 1771 2743 Gatekeeper Selective 3092 1DV8 GLY 218 T -5.694 9.011 -9.974 -5.144 3 260 2700 1753 2690 Gatekeeper Selective 3093 1DV8 PRO 219 C -5.703 9.026 -9.922 -5.135 3 246 2673 1716 2606 Gatekeeper Selective 3094 1DV8 TRP 220 C -5.973 10.928 -8.831 -5.04 4 251 2556 1651 2467 Gatekeeper Selective 3095 1DV8 LYS 221 E -6.161 10.666 -8.577 -4.874 4 247 2372 1611 2298 Gatekeeper Selective 3096 1DV8 TRP 222 E -8.042 12.36 -10.272 -4.907 4 260 2271 1565 2081 Gatekeeper Selective 3097 1DV8 VAL 223 T -5.719 6.581 -9.863 -4.664 3 236 1923 1509 1826 Gatekeeper Selective 3098 1DV8 ASP 224 T -5.716 6.594 -9.878 -4.667 3 268 1657 1479 1562 Gatekeeper Selective 3099 1DV8 GLY 225 T -5.699 6.672 -9.932 -4.681 3 267 1458 1486 1406 Gatekeeper Selective 3100 1DV8 THR 226 C -5.676 6.774 -9.966 -4.684 3 254 1265 1509 1350 Inactive Selective 3101 1DV8 ASP 227 T -5.563 6.818 -10.125 -4.725 3 228 1044 1536 1336 Inactive Selective 3102 1DV8 TYR 228 T -6.392 7.897 -10.949 -4.925 3 166 748 1553 1317 Inactive Selective 3103 1DV8 GLU 229 T -6.127 8.372 -10.453 -4.816 3 168 574 1563 1305 Inactive Permissive 3104 1DV8 THR 230 T -6.162 8.329 -10.384 -4.797 3 160 463 1591 1311 Inactive Permissive 3105 1DV8 GLY 231 T -6.215 8.227 -10.338 -4.8 3 148 468 1598 1314 Inactive Selective 3106 1DV8 PHE 232 C -6.711 9.256 -9.701 -4.65 4 156 596 1594 1292 Inactive Permissive 3107 1DV8 LYS 233 C -6.713 9.249 -9.694 -4.649 4 134 619 1581 1272 Inactive Permissive 3108 1DV8 ASN 234 C -9.272 11.285 -13.157 -5.354 6 131 673 1549 1232 Inactive Permissive 3109 1DV8 TRP 235 B -9.585 12.377 -13.099 -5.351 7 127 741 1528 1174 Inactive Permissive 3110 1DV8 ARG 236 T -7.635 8.613 -11.349 -4.674 5 119 760 1464 1095 Inactive Permissive 3111 1DV8 PRO 237 T -6.469 7.086 -10.82 -4.603 3 115 908 1419 1046 Inactive Permissive 3112 1DV8 GLU 238 T -6.462 7.083 -10.863 -4.607 3 165 1056 1358 986 Inactive Permissive 3113 1DV8 GLN 239 T -6.462 7.077 -10.86 -4.606 3 303 1726 1266 916 Gatekeeper Permissive 3114 1DV8 PRO 240 T -6.464 7.058 -10.854 -4.603 3 458 2458 1170 845 Gatekeeper Inactive 3115 1DV8 ASP 241 T -6.544 6.845 -10.839 -4.612 3 739 3000 1075 771 Gatekeeper Inactive 3116 1DV8 ASP 242 C -7.931 8.643 -17.209 -8.539 6 1086 3905 977 706 Selective Inactive 3117 1DV8 TRP 243 C -7.066 7.975 -13.622 -6.321 6 1479 4954 886 639 Selective Inactive 3118 1DV8 TYR 244 T -6.016 7.589 -10.517 -4.981 3 1750 5444 837 595 Selective Inactive 3119 1DV8 GLY 245 T -3.653 4.75 -8.284 -4.746 2 2273 6140 821 599 Selective Inactive 3120 1DV8 HIS 246 T -3.139 4.618 -8.182 -4.748 2 2708 6510 839 632 Selective Inactive 3121 1DV8 GLY 247 T -2.082 3.866 -7.285 -4.81 2 3113 6958 869 685 Selective Inactive 3122 1DV8 LEU 248 C -2.082 3.868 -7.288 -4.81 2 3391 7057 897 776 Selective Inactive 3123 1DV8 GLY 249 C -2.082 3.864 -7.285 -4.81 2 3944 7415 979 911 Selective Inactive 3124 1DV8 GLY 250 C -2.127 3.782 -7.179 -4.795 2 4127 7358 1047 1093 Selective Inactive 3125 1DV8 GLY 251 C -2.196 3.671 -7.027 -4.775 1 4116 7242 1139 1375 Selective Gatekeeper 3126 1DV8 GLU 252 C -6.147 6.769 -11.175 -5.224 3 3992 6588 1239 1785 Selective Selective 3127 1DV8 ASP 253 C -8.085 6.321 -14.394 -5.589 6 3852 5873 1347 2209 Selective Selective 3128 1DV8 CYS 254 E -9.885 7.043 -16.702 -5.778 6 3591 5300 1469 2632 Selective Selective 3129 1DV8 ALA 255 E -11.338 8.867 -16.916 -5.309 6 3244 4366 1589 2981 Selective Selective 3130 1DV8 HIS 256 E -12.986 13.43 -17.514 -5.396 8 2854 3284 1690 3259 Selective Selective 3131 1DV8 PHE 257 E -11.736 11.205 -16.795 -5.689 8 2599 2796 1763 3394 Selective Selective 3132 1DV8 THR 258 T -10.897 8.989 -16.989 -5.687 6 2146 1981 1772 3391 Selective Selective 3133 1DV8 ASP 259 T -10.887 8.988 -17.023 -5.692 6 1740 1676 1769 3348 Selective Selective 3134 1DV8 ASP 260 T -10.887 8.984 -17.029 -5.693 6 1346 1262 1764 3284 Permissive Selective 3135 1DV8 GLY 261 T -10.887 8.984 -17.028 -5.693 6 1075 1164 1751 3219 Permissive Selective 3136 1DV8 ARG 262 C -11.034 8.45 -17.092 -5.683 6 641 964 1734 3183 Inactive Selective 3137 1DV8 TRP 263 E -12.989 11.583 -18.221 -5.731 8 510 1064 1717 3179 Inactive Selective 3138 1DV8 ASN 264 E -13.771 10.766 -20.444 -5.992 8 638 1236 1694 3068 Inactive Selective 3139 1DV8 ASP 265 E -12.627 8.579 -18.778 -5.302 6 736 1317 1663 2776 Inactive Selective 3140 1DV8 ASP 266 E -11.387 10.09 -16.16 -5.072 6 771 1344 1618 2466 Inactive Selective 3141 1DV8 VAL 267 T -9.208 10.059 -12.923 -4.749 5 818 1369 1576 2174 Inactive Selective 3142 1DV8 CYS 268 T -9.193 10.109 -12.962 -4.751 5 - - - - - - 3143 1DV8 GLN 269 T -9.192 10.116 -12.963 -4.75 5 - - - - - - 3144 1DV8 ARG 270 T -9.194 10.121 -12.948 -4.749 5 - - - - - - 3145 1DV8 PRO 271 C -9.207 10.118 -12.885 -4.743 5 - - - - - - 3146 1DV8 TYR 272 B -11.324 12.168 -14.475 -4.831 7 - - - - - - 3147 1DV8 ARG 273 E -12.971 15.033 -15.181 -4.865 8 - - - - - - 3148 1DV8 TRP 274 E -14.469 20.153 -14.973 -5.187 8 - - - - - - 3149 1DV8 VAL 275 E -14.121 16.751 -17.425 -5.885 8 - - - - - - 3150 1DV8 CYS 276 E -12.157 10.348 -17.909 -6.001 8 - - - - - - 3151 1DV8 GLU 277 E -9.707 8.856 -14.212 -4.916 6 - - - - - - 3152 1DV8 THR 278 E -9.707 8.856 -14.212 -4.916 6 - - - - - - 3153 1DV8 GLU 279 E -9.707 8.856 -14.212 -4.916 6 - - - - - - 3154 1DV8 LEU 280 C -9.707 8.856 -14.212 -4.916 6 - - - - - - 3155 1e+21 ALA 7 H -10.836 10.31 -13.979 -4.195 7 - - - - - - 3156 1e+21 PHE 8 H -10.836 10.31 -13.979 -4.195 7 - - - - - - 3157 1e+21 GLN 9 H -10.836 10.31 -13.979 -4.195 7 - - - - - - 3158 1e+21 ARG 10 H -10.836 10.31 -13.979 -4.195 7 - - - - - - 3159 1e+21 GLN 11 H -13.124 11.653 -17.842 -5.477 8 - - - - - - 3160 1e+21 HIS 12 H -12.964 9.813 -19.066 -5.839 8 - - - - - - 3161 1e+21 MET 13 B -9.771 7.752 -15.486 -5.439 6 - - - - - - 3162 1e+21 ASP 14 T -6.588 5.915 -11.243 -4.578 3 - - - - - - 3163 1e+21 SER 15 T -5.241 6.818 -8.573 -4.039 2 - - - - - - 3164 1e+21 ASP 16 T -4.797 6.819 -8.309 -3.968 2 - - - - - - 3165 1e+21 SER 17 T -4.785 6.844 -8.336 -3.963 2 - - - - - - 3166 1e+21 SER 18 C -4.774 6.857 -8.361 -3.956 2 - - - - - - 3167 1e+21 PRO 19 C -4.802 6.904 -8.224 -3.925 2 4604 3262 937 748 Selective Inactive 3168 1e+21 SER 20 T -5.128 6.874 -8.225 -3.886 2 5092 3227 876 555 Selective Inactive 3169 1e+21 SER 21 T -6.643 7.548 -10.094 -3.686 2 5523 3093 819 439 Selective Inactive 3170 1e+21 SER 22 T -7.008 7.111 -10.465 -3.662 2 5916 3016 762 363 Selective Inactive 3171 1e+21 SER 23 T -7.895 5.434 -12.913 -4.01 5 6544 2948 719 357 Selective Inactive 3172 1e+21 THR 24 H -7.978 5.23 -12.995 -4.078 5 7222 2829 723 404 Selective Inactive 3173 1e+21 TYR 25 H -9.508 9.699 -14.501 -5.164 6 8224 2891 759 543 Selective Inactive 3174 1e+21 CYS 26 H -10.053 10.094 -15.432 -5.544 6 9168 3089 806 700 Selective Inactive 3175 1e+21 ASN 27 H -10.235 10.279 -15.263 -5.562 6 9826 2883 848 807 Selective Inactive 3176 1e+21 GLN 28 H -9.814 10.17 -14.483 -5.122 6 10536 2741 874 881 Selective Inactive 3177 1e+21 MET 29 H -10.141 10.21 -14.148 -4.837 6 11048 2455 894 920 Selective Gatekeeper 3178 1e+21 MET 30 H -10.108 10.121 -14.28 -4.838 6 11089 2332 893 945 Selective Gatekeeper 3179 1e+21 ARG 31 H -10.103 9.956 -14.315 -4.79 6 10908 2221 888 949 Selective Gatekeeper 3180 1e+21 ARG 32 H -10.095 9.978 -14.352 -4.806 6 10466 2095 890 935 Selective Gatekeeper 3181 1e+21 ARG 33 H -11.225 9.454 -17.097 -5.203 6 9623 2091 885 919 Selective Inactive 3182 1e+21 ASN 34 T -9.583 7.688 -16.344 -6.121 6 8606 2090 892 907 Selective Inactive 3183 1e+21 MET 35 T -9.53 7.811 -16.34 -6.096 6 7621 2044 893 904 Selective Inactive 3184 1e+21 THR 36 T -9.097 7.649 -15.824 -5.794 6 6520 2023 902 874 Selective Inactive 3185 1e+21 GLN 37 T -9.063 7.59 -15.909 -5.779 6 5504 2025 892 795 Selective Inactive 3186 1e+21 GLY 38 T -8.492 6.934 -14.635 -5.099 6 4344 1942 865 655 Selective Inactive 3187 1e+21 ARG 39 T -8.469 6.989 -14.237 -4.82 5 3261 1672 843 505 Permissive Inactive 3188 1e+21 CYS 40 T -8.476 6.957 -14.22 -4.81 5 2410 1699 834 401 Selective Inactive 3189 1e+21 LYS 41 C -8.582 6.887 -14.011 -4.673 5 1522 1588 831 328 Permissive Inactive 3190 1e+21 PRO 42 C -8.595 6.912 -13.927 -4.651 5 778 1599 827 288 Inactive Inactive 3191 1e+21 VAL 43 E -9.385 7.991 -14.142 -4.57 5 425 1431 841 260 Inactive Inactive 3192 1e+21 ASN 44 E -10.518 9.34 -16.326 -5.474 6 227 1259 858 250 Inactive Inactive 3193 1e+21 THR 45 E -10.651 9.623 -15.988 -5.431 6 178 1085 858 252 Inactive Inactive 3194 1e+21 PHE 46 E -11.773 13.101 -15.382 -5.223 8 168 988 852 252 Inactive Inactive 3195 1e+21 VAL 47 E -12.141 13.89 -15.495 -5.115 8 169 856 808 231 Inactive Inactive 3196 1e+21 HIS 48 C -10.838 10.991 -15.096 -5.221 6 172 766 756 187 Inactive Inactive 3197 1e+21 GLU 49 C -8.736 8.244 -13.377 -4.974 5 179 692 695 136 Inactive Inactive 3198 1e+21 PRO 50 C -8.159 9.156 -12.046 -4.547 5 209 657 647 113 Inactive Inactive 3199 1e+21 LEU 51 H -8.138 9.215 -12.082 -4.546 5 213 531 628 97 Inactive Inactive 3200 1e+21 VAL 52 H -8.072 9.336 -12.129 -4.551 5 217 457 605 103 Inactive Inactive 3201 1e+21 ASP 53 H -8.075 9.334 -12.11 -4.546 5 210 359 588 120 Inactive Inactive 3202 1e+21 VAL 54 H -8.3 9.891 -11.551 -4.351 5 205 302 575 155 Inactive Inactive 3203 1e+21 GLN 55 H -9.21 10.589 -12.794 -4.598 5 240 246 579 210 Inactive Inactive 3204 1e+21 ASN 56 H -9.322 10.463 -12.877 -4.655 5 338 321 588 284 Inactive Inactive 3205 1e+21 VAL 57 G -10.56 11.064 -15.353 -5.077 6 475 413 597 390 Inactive Inactive 3206 1e+21 CYS 58 G -10.463 10.418 -15.947 -5.376 6 790 789 627 493 Inactive Inactive 3207 1e+21 PHE 59 G -10.251 10.349 -15.759 -5.427 6 1125 1196 663 594 Inactive Inactive 3208 1e+21 GLN 60 C -8.918 8.839 -13.781 -5.188 6 1622 1766 730 690 Selective Inactive 3209 1e+21 GLU 61 E -5.576 7.572 -9.374 -4.808 3 2052 2246 817 842 Selective Inactive 3210 1e+21 LYS 62 E -5.433 7.388 -9.635 -4.77 3 2424 2697 908 999 Selective Gatekeeper 3211 1e+21 VAL 63 E -5.43 7.372 -9.663 -4.77 3 2784 3208 992 1153 Selective Selective 3212 1e+21 THR 64 C -5.406 7.164 -9.86 -4.777 3 3316 3988 1063 1321 Selective Selective 3213 1e+21 CYS 65 T -5.403 7.124 -9.894 -4.779 3 3930 4867 1144 1485 Selective Selective 3214 1e+21 LYS 66 T -6.139 5.353 -11.894 -4.751 3 4524 5537 1213 1652 Selective Selective 3215 1e+21 ASN 67 T -6.425 2.346 -14.722 -5.262 3 5067 6166 1279 1793 Selective Selective 3216 1e+21 GLY 68 T -6.358 2.457 -14.746 -5.31 3 5391 6523 1337 1916 Selective Selective 3217 1e+21 GLN 69 C -6.491 2.521 -14.786 -5.401 3 5568 6580 1372 2031 Selective Selective 3218 1e+21 GLY 70 C -6.515 2.567 -14.71 -5.412 3 5605 6513 1415 2180 Selective Selective 3219 1e+21 ASN 71 C -6.659 2.816 -14.542 -5.478 3 5451 6138 1477 2442 Selective Selective 3220 1e+21 CYS 72 E -7.546 3.629 -14.877 -5.512 6 5262 5707 1530 2614 Selective Selective 3221 1e+21 TYR 73 E -11.686 10.112 -17.894 -5.871 8 4872 5123 1574 2788 Selective Selective 3222 1e+21 LYS 74 E -9.766 9.663 -14.828 -5.694 6 4499 4616 1586 2794 Selective Selective 3223 1e+21 SER 75 T -9.388 9.427 -14.843 -5.604 6 4143 4121 1574 2775 Selective Selective 3224 1e+21 ASN 76 T -8.747 9.972 -13.807 -5.555 6 3768 3546 1575 2746 Selective Selective 3225 1e+21 SER 77 T -8.7 10.191 -13.745 -5.524 6 3253 2765 1562 2681 Selective Selective 3226 1e+21 SER 78 T -8.68 10.34 -13.724 -5.524 6 2649 1888 1539 2590 Selective Selective 3227 1e+21 MET 79 E -8.781 10.478 -13.525 -5.494 6 2053 1226 1512 2472 Permissive Selective 3228 1e+21 HIS 80 E -8.889 10.747 -13.264 -5.492 6 1530 610 1485 2351 Permissive Selective 3229 1e+21 ILE 81 E -9.972 13.342 -13.227 -5.294 7 1135 240 1460 2234 Inactive Selective 3230 1e+21 THR 82 E -10.594 14.254 -13.678 -5.574 8 856 148 1434 2096 Inactive Selective 3231 1e+21 ASP 83 E -11.706 11.942 -17.137 -5.711 8 678 238 1381 1855 Inactive Selective 3232 1e+21 CYS 84 E -8.121 10.213 -11.249 -4.813 5 511 324 1282 1489 Inactive Selective 3233 1e+21 ARG 85 E -4.766 8.682 -7.473 -4.605 2 349 362 1192 1231 Inactive Selective 3234 1e+21 LEU 86 E -3.467 6.787 -7.184 -4.699 2 240 451 1113 982 Inactive Selective 3235 1e+21 THR 87 T -2.779 4.788 -7.201 -4.334 2 180 529 1057 860 Inactive Permissive 3236 1e+21 ASN 88 T -2.775 4.8 -7.216 -4.335 2 151 600 1033 759 Inactive Permissive 3237 1e+21 GLY 89 T -2.775 4.8 -7.218 -4.334 2 131 667 1001 676 Inactive Permissive 3238 1e+21 SER 90 T -2.796 4.657 -7.207 -4.322 2 105 695 984 627 Inactive Inactive 3239 1e+21 ARG 91 T -2.996 3.877 -7.209 -4.143 2 87 722 970 609 Inactive Inactive 3240 1e+21 TYR 92 T -5.466 6.527 -10.133 -4.392 2 77 738 969 686 Inactive Inactive 3241 1e+21 PRO 93 T -5.975 6.402 -10.996 -4.458 3 53 752 987 815 Inactive Permissive 3242 1e+21 ASN 94 T -6.045 6.448 -10.941 -4.501 3 61 744 989 949 Inactive Selective 3243 1e+21 CYS 95 T -6.143 6.51 -10.901 -4.593 3 74 724 1005 1100 Inactive Selective 3244 1e+21 ALA 96 C -7.213 8.46 -14.138 -6.737 6 115 630 1052 1309 Inactive Selective 3245 1e+21 TYR 97 E -8.895 10.117 -13.001 -5.242 6 192 583 1113 1485 Inactive Selective 3246 1e+21 ARG 98 E -10.422 11.577 -15.073 -5.35 6 249 552 1182 1625 Inactive Selective 3247 1e+21 THR 99 E -9.593 10.78 -14.288 -5.519 6 335 494 1231 1778 Inactive Selective 3248 1e+21 SER 100 E -9.558 10.724 -14.376 -5.516 6 449 476 1276 1877 Inactive Selective 3249 1e+21 PRO 101 E -9.526 10.775 -14.424 -5.534 6 583 475 1320 1958 Inactive Selective 3250 1e+21 LYS 102 E -9.532 10.742 -14.445 -5.547 6 795 556 1362 2015 Inactive Selective 3251 1e+21 GLU 103 E -9.609 10.893 -14.362 -5.604 6 858 656 1408 2044 Inactive Selective 3252 1e+21 ARG 104 E -10.578 12.281 -15.379 -5.704 8 924 841 1446 2052 Inactive Selective 3253 1e+21 HIS 105 E -10.688 14.058 -14.049 -5.271 7 1049 1345 1476 1933 Inactive Selective 3254 1e+21 ILE 106 E -10.802 15.378 -12.54 -4.475 7 1227 2118 1488 1774 Gatekeeper Selective 3255 1e+21 ILE 107 E -10.785 15.189 -12.359 -4.27 7 1296 2585 1504 1610 Gatekeeper Selective 3256 1e+21 VAL 108 E -9.908 11.227 -13.08 -4.458 7 1360 3193 1529 1449 Selective Selective 3257 1e+21 ALA 109 E -8.277 7.937 -12.327 -4.408 5 1361 3650 1513 1247 Selective Selective 3258 1e+21 CYS 110 E -5.617 5.087 -9.922 -4.162 2 1355 4126 1517 1101 Selective Selective 3259 1e+21 GLU 111 E -5.46 5.671 -9.815 -4.16 2 1353 4462 1512 976 Gatekeeper Selective 3260 1e+21 GLY 112 T -5.263 6.072 -9.57 -4.072 2 1307 4857 1533 834 Gatekeeper Permissive 3261 1e+21 SER 113 T -5.261 6.085 -9.57 -4.07 2 - - - - - - 3262 1e+21 PRO 114 T -5.264 6.077 -9.554 -4.068 2 - - - - - - 3263 1e+21 TYR 115 T -5.731 7.302 -9.146 -3.958 2 - - - - - - 3264 1e+21 VAL 116 E -6.002 7.135 -8.963 -3.845 2 - - - - - - 3265 1e+21 PRO 117 E -8.608 11.262 -10.157 -3.596 4 - - - - - - 3266 1e+21 VAL 118 E -9.811 14.014 -11.205 -3.944 7 - - - - - - 3267 1e+21 HIS 119 E -10.204 15.52 -11.084 -4.179 7 - - - - - - 3268 1e+21 PHE 120 E -10.171 15.549 -11.409 -4.489 7 - - - - - - 3269 1e+21 ASP 121 E -8.345 9.388 -12.207 -4.934 5 - - - - - - 3270 1e+21 ALA 122 E -5.246 7.443 -7.46 -3.584 2 - - - - - - 3271 1e+21 SER 123 E -5.246 7.443 -7.46 -3.584 2 - - - - - - 3272 1e+21 VAL 124 E -5.246 7.443 -7.46 -3.584 2 - - - - - - 3273 1e+21 GLU 125 C -5.246 7.443 -7.46 -3.584 2 - - - - - - 3274 1e+87 SER 83 T -5.428 3.583 -11.869 -4.681 3 - - - - - - 3275 1e+87 SER 84 T -5.428 3.583 -11.869 -4.681 3 - - - - - - 3276 1e+87 CYS 85 T -5.428 3.583 -11.869 -4.681 3 - - - - - - 3277 1e+87 SER 86 T -5.428 3.583 -11.869 -4.681 3 - - - - - - 3278 1e+87 GLU 87 T -4.62 8.37 -8.244 -4.808 2 - - - - - - 3279 1e+87 ASP 88 T -4.645 8.606 -8.081 -4.84 2 - - - - - - 3280 1e+87 TRP 89 T -4.762 9.777 -7.268 -4.836 2 - - - - - - 3281 1e+87 VAL 90 E -4.772 9.798 -7.178 -4.814 2 - - - - - - 3282 1e+87 GLY 91 E -4.773 9.799 -7.169 -4.812 2 - - - - - - 3283 1e+87 TYR 92 E -8.679 14.186 -11.129 -5.417 7 - - - - - - 3284 1e+87 GLN 93 T -9.797 11.668 -13.886 -5.339 6 - - - - - - 3285 1e+87 ARG 94 T -9.849 11.269 -13.907 -5.289 6 - - - - - - 3286 1e+87 LYS 95 E -10.809 12.632 -14.927 -5.942 8 2354 828 1434 1776 Selective Selective 3287 1e+87 CYS 96 E -13.427 13.333 -18.489 -6.129 8 2297 791 1444 1819 Selective Selective 3288 1e+87 TYR 97 E -12.273 14.689 -14.458 -4.919 8 2200 661 1419 1766 Permissive Selective 3289 1e+87 PHE 98 E -8.204 9.307 -11.023 -4.165 5 2056 543 1374 1628 Permissive Selective 3290 1e+87 ILE 99 E -5.561 9.052 -8.097 -4.425 2 1878 421 1350 1536 Permissive Selective 3291 1e+87 SER 100 C -5.497 9.106 -8.285 -4.465 2 1678 316 1321 1441 Permissive Selective 3292 1e+87 THR 101 C -5.48 9.125 -8.358 -4.477 2 1532 229 1279 1370 Permissive Selective 3293 1e+87 VAL 102 C -5.48 9.125 -8.358 -4.477 2 1345 155 1247 1285 Permissive Gatekeeper 3294 1e+87 LYS 103 C -5.486 9.124 -8.331 -4.48 2 1256 133 1216 1222 Permissive Gatekeeper 3295 1e+87 ARG 104 B -6.696 9.62 -10.128 -4.825 3 1134 116 1191 1137 Permissive Gatekeeper 3296 1e+87 SER 105 C -7.592 9.8 -10.842 -4.864 4 782 107 1131 1023 Inactive Gatekeeper 3297 1e+87 TRP 106 H -11.832 13.997 -15.633 -5.539 8 542 159 1080 940 Inactive Inactive 3298 1e+87 THR 107 H -11.395 8.506 -17.586 -5.415 6 457 208 981 779 Inactive Inactive 3299 1e+87 SER 108 H -11.331 8.524 -17.673 -5.413 6 437 264 890 618 Inactive Inactive 3300 1e+87 ALA 109 H -11.197 8.647 -17.719 -5.437 6 392 346 821 499 Inactive Inactive 3301 1e+87 GLN 110 H -11.189 8.097 -18.054 -5.46 6 402 489 790 435 Inactive Inactive 3302 1e+87 ASN 111 H -8.577 5.684 -13.908 -4.532 5 474 639 785 400 Inactive Inactive 3303 1e+87 ALA 112 H -8.26 6.02 -13.724 -4.472 5 494 703 807 379 Inactive Inactive 3304 1e+87 CYS 113 H -7.152 4.832 -13.073 -4.669 3 538 813 842 384 Gatekeeper Inactive 3305 1e+87 SER 114 H -5.846 5.968 -10.249 -4.345 2 561 833 901 374 Gatekeeper Inactive 3306 1e+87 GLU 115 H -5.742 6.186 -10.351 -4.395 2 585 845 953 376 Gatekeeper Inactive 3307 1e+87 HIS 116 H -5.745 6.204 -10.328 -4.395 2 603 868 1017 428 Gatekeeper Inactive 3308 1e+87 GLY 117 C -5.745 6.226 -10.316 -4.395 2 638 919 1102 538 Gatekeeper Inactive 3309 1e+87 ALA 118 C -5.794 6.364 -10.091 -4.369 2 806 923 1190 725 Gatekeeper Inactive 3310 1e+87 THR 119 E -6.794 7.495 -10.935 -4.651 3 912 872 1278 1002 Gatekeeper Permissive 3311 1e+87 LEU 120 E -8.538 10.602 -11.877 -4.575 5 1061 841 1398 1306 Gatekeeper Selective 3312 1e+87 ALA 121 C -8.785 10.612 -11.603 -4.434 5 1135 782 1519 1711 Permissive Selective 3313 1e+87 VAL 122 C -10.52 13.911 -12.962 -4.442 7 1210 703 1608 2236 Permissive Selective 3314 1e+87 ILE 123 C -10.671 13.559 -13.625 -4.669 7 1338 591 1671 2729 Permissive Selective 3315 1e+87 ASP 124 C -11.028 12.103 -15.159 -4.916 7 1421 466 1704 3154 Permissive Selective 3316 1e+87 SER 125 C -11.315 10.203 -16.782 -5.168 6 1474 421 1707 3477 Permissive Selective 3317 1e+87 GLU 126 H -11.38 9.49 -17.823 -5.62 6 1459 318 1697 3722 Permissive Selective 3318 1e+87 LYS 127 H -11.493 9.193 -18.047 -5.727 6 1463 307 1648 3915 Permissive Selective 3319 1e+87 ASP 128 H -12.052 9.426 -19.02 -6.146 8 1458 306 1600 4045 Permissive Selective 3320 1e+87 MET 129 H -12.115 9.974 -18.682 -6.167 8 1391 283 1531 4052 Permissive Selective 3321 1e+87 ASN 130 H -11.919 11.907 -16.913 -5.648 8 1318 250 1466 3996 Permissive Selective 3322 1e+87 PHE 131 H -12.43 15.509 -14.35 -4.813 8 1180 257 1411 3864 Permissive Selective 3323 1e+87 LEU 132 H -12.317 15.884 -14.196 -4.752 7 1044 246 1343 3640 Inactive Selective 3324 1e+87 LYS 133 H -11.168 13.768 -13.653 -4.764 7 872 213 1274 3472 Inactive Selective 3325 1e+87 ARG 134 H -10.424 11.725 -13.249 -4.25 7 779 210 1233 3163 Inactive Gatekeeper 3326 1e+87 TYR 135 H -9.854 11.747 -12.979 -4.533 7 693 203 1227 2716 Inactive Gatekeeper 3327 1e+87 ALA 136 H -7.778 8.66 -11.644 -4.743 5 540 174 1208 2281 Inactive Gatekeeper 3328 1e+87 GLY 137 T -7.739 8.74 -11.766 -4.776 5 418 168 1203 1927 Inactive Gatekeeper 3329 1e+87 ARG 138 T -7.74 8.733 -11.763 -4.776 5 491 277 1212 1673 Inactive Gatekeeper 3330 1e+87 GLU 139 T -7.745 8.717 -11.753 -4.782 5 528 306 1244 1501 Inactive Gatekeeper 3331 1e+87 GLU 140 C -7.755 8.663 -11.734 -4.784 5 597 700 1296 1392 Inactive Selective 3332 1e+87 HIS 141 E -9.356 10.125 -13.565 -5.252 6 619 1174 1341 1343 Gatekeeper Selective 3333 1e+87 TRP 142 E -11.489 17.255 -13.368 -5.197 7 627 1613 1406 1378 Gatekeeper Selective 3334 1e+87 VAL 143 E -11.542 17.604 -14.287 -5.852 8 639 2158 1424 1380 Gatekeeper Selective 3335 1e+87 GLY 144 E -10.846 14.947 -14.707 -6.02 8 609 2490 1424 1350 Gatekeeper Selective 3336 1e+87 LEU 145 E -10.244 13.919 -14.531 -6.036 8 638 2650 1407 1290 Gatekeeper Selective 3337 1e+87 LYS 146 E -7.268 7.801 -12.504 -5.638 3 703 2973 1376 1155 Gatekeeper Selective 3338 1e+87 LYS 147 E -3.867 6.154 -8.072 -4.934 2 765 3293 1322 1069 Gatekeeper Selective 3339 1e+87 GLU 148 T -2.76 3.776 -7.385 -4.264 2 849 3628 1261 1022 Gatekeeper Selective 3340 1e+87 PRO 149 T -2.748 3.888 -7.387 -4.269 2 855 4056 1220 999 Gatekeeper Inactive 3341 1e+87 GLY 150 T -2.748 3.894 -7.389 -4.27 2 827 4143 1177 965 Gatekeeper Inactive 3342 1e+87 HIS 151 T -2.748 3.892 -7.386 -4.269 2 707 4130 1136 928 Gatekeeper Inactive 3343 1e+87 PRO 152 C -2.847 3.473 -7.243 -4.137 2 660 4284 1087 875 Gatekeeper Inactive 3344 1e+87 TRP 153 E -5.046 9.305 -7.427 -4.46 2 719 4323 1059 829 Gatekeeper Inactive 3345 1e+87 LYS 154 E -6.937 10.55 -9.464 -4.75 4 733 4042 1026 780 Gatekeeper Inactive 3346 1e+87 TRP 155 E -9.908 11.398 -14.68 -5.744 6 772 3774 978 718 Gatekeeper Inactive 3347 1e+87 SER 156 T -6.678 5.858 -12.553 -5.481 3 848 3363 956 677 Gatekeeper Inactive 3348 1e+87 ASN 157 T -6.541 6.735 -12.25 -5.442 3 966 3154 946 657 Gatekeeper Inactive 3349 1e+87 GLY 158 T -6.501 6.909 -12.254 -5.432 3 1021 3110 956 673 Gatekeeper Inactive 3350 1e+87 LYS 159 C -6.471 7.017 -12.25 -5.411 3 1045 2952 987 708 Gatekeeper Inactive 3351 1e+87 GLU 160 B -6.445 7.218 -12.18 -5.386 3 1077 2827 1026 727 Gatekeeper Inactive 3352 1e+87 PHE 161 C -7.102 10.068 -11.436 -5.194 3 1093 2849 1054 728 Gatekeeper Inactive 3353 1e+87 ASN 162 C -7.479 10.306 -11.78 -5.095 3 1158 2507 1078 725 Selective Inactive 3354 1e+87 ASN 163 T -7.702 10.97 -11.469 -4.99 3 1239 2573 1109 723 Selective Inactive 3355 1e+87 TRP 164 T -7.953 12.291 -10.956 -4.944 4 1438 2761 1118 697 Selective Inactive 3356 1e+87 PHE 165 T -5.83 10.002 -8.035 -4.49 4 1500 2651 1120 672 Selective Inactive 3357 1e+87 ASN 166 T -4.736 5.308 -8.958 -4.161 2 1451 2257 1107 628 Selective Inactive 3358 1e+87 VAL 167 C -4.733 5.304 -8.983 -4.163 2 1496 2062 1119 581 Selective Inactive 3359 1e+87 THR 168 B -4.728 5.295 -9.025 -4.172 2 1608 1894 1155 549 Selective Inactive 3360 1e+87 GLY 169 C -4.723 5.296 -9.063 -4.182 2 1594 1740 1202 547 Selective Inactive 3361 1e+87 SER 170 C -4.821 4.455 -9.254 -4.127 2 1507 1576 1239 550 Selective Inactive 3362 1e+87 ASP 171 C -6.943 5.394 -13.544 -5.138 3 1466 1457 1275 556 Selective Permissive 3363 1e+87 LYS 172 C -7.15 5.209 -13.837 -5.313 3 1398 1291 1289 565 Selective Permissive 3364 1e+87 CYS 173 E -7.559 5.808 -13.651 -5.411 3 1335 1094 1284 584 Selective Permissive 3365 1e+87 VAL 174 E -10.294 9.719 -14.592 -4.895 6 1375 763 1304 605 Permissive Permissive 3366 1e+87 PHE 175 E -10.711 15.341 -13.017 -5.449 7 1422 702 1310 620 Permissive Permissive 3367 1e+87 LEU 176 E -8.165 11.522 -11.574 -5.523 5 1400 532 1282 616 Permissive Permissive 3368 1e+87 LYS 177 E -6.914 10.628 -10.538 -5.42 4 1557 269 1275 644 Permissive Permissive 3369 1e+87 ASN 178 T -6.831 10.482 -10.747 -5.403 3 1608 205 1267 679 Permissive Permissive 3370 1e+87 THR 179 T -6.827 10.478 -10.768 -5.402 3 1676 166 1264 737 Permissive Permissive 3371 1e+87 GLU 180 E -6.828 10.472 -10.767 -5.402 3 2100 224 1250 843 Permissive Permissive 3372 1e+87 VAL 181 E -6.892 10.359 -10.679 -5.388 3 2538 324 1246 1012 Permissive Gatekeeper 3373 1e+87 SER 182 E -8.003 9.544 -12.289 -5.288 5 3119 497 1256 1304 Permissive Selective 3374 1e+87 SER 183 E -8.393 8.443 -13.812 -5.526 6 3640 677 1287 1801 Permissive Selective 3375 1e+87 MET 184 E -6.37 7.681 -10.972 -5.241 3 4146 830 1338 2226 Selective Selective 3376 1e+87 GLU 185 T -5.743 7.121 -11.021 -5.35 3 4517 1125 1400 2557 Selective Selective 3377 1e+87 CYS 186 T -5.654 7.375 -10.986 -5.334 3 4613 1309 1478 2819 Selective Selective 3378 1e+87 GLU 187 T -5.649 7.427 -10.983 -5.335 3 - - - - - - 3379 1e+87 LYS 188 T -5.654 7.421 -10.959 -5.333 3 - - - - - - 3380 1e+87 ASN 189 C -5.857 7.322 -10.989 -5.375 3 - - - - - - 3381 1e+87 LEU 190 B -6.787 9.219 -10.766 -5.248 3 - - - - - - 3382 1e+87 TYR 191 E -8.492 13.73 -10.737 -5.481 7 - - - - - - 3383 1e+87 TRP 192 E -12.379 19.971 -13.778 -5.984 8 - - - - - - 3384 1e+87 ILE 193 E -13.074 21.725 -13.609 -5.887 8 - - - - - - 3385 1e+87 CYS 194 E -13.317 17.405 -16.892 -6.346 8 - - - - - - 3386 1e+87 ASN 195 E -11.431 11.889 -15.919 -5.748 8 - - - - - - 3387 1e+87 LYS 196 E -8.466 9.937 -11.181 -4.29 5 - - - - - - 3388 1e+87 PRO 197 E -8.466 9.937 -11.181 -4.29 5 - - - - - - 3389 1e+87 TYR 198 C -8.466 9.937 -11.181 -4.29 5 - - - - - - 3390 1e+87 LYS 199 C -8.466 9.937 -11.181 -4.29 5 - - - - - - 3391 1EAZ SER 190 C -3.747 5.238 -5.551 -2.692 1 - - - - - - 3392 1EAZ ALA 191 C -3.747 5.238 -5.551 -2.692 1 - - - - - - 3393 1EAZ VAL 192 E -3.747 5.238 -5.551 -2.692 1 - - - - - - 3394 1EAZ ILE 193 E -3.747 5.238 -5.551 -2.692 1 - - - - - - 3395 1EAZ LYS 194 E -6.199 8.589 -9.944 -4.56 4 - - - - - - 3396 1EAZ ALA 195 E -6.747 9.752 -10.5 -5.12 3 - - - - - - 3397 1EAZ GLY 196 E -7.652 10.135 -12.151 -5.918 5 - - - - - - 3398 1EAZ TYR 197 E -10.351 11.834 -14.666 -5.478 6 - - - - - - 3399 1EAZ CYS 198 E -10.387 11.576 -14.558 -5.345 6 - - - - - - 3400 1EAZ VAL 199 E -10.494 11.491 -14.366 -5.249 6 - - - - - - 3401 1EAZ LYS 200 E -9.998 9.085 -16.1 -6.076 6 - - - - - - 3402 1EAZ GLN 201 E -7.013 5.112 -12.82 -5.053 3 - - - - - - 3403 1EAZ GLY 202 T -3.194 1.811 -8.399 -4.094 2 1165 494 800 1040 Selective Gatekeeper 3404 1EAZ ALA 203 T -2.66 2.041 -8.043 -4.026 2 1629 559 878 1312 Selective Gatekeeper 3405 1EAZ VAL 204 T -2.657 2.061 -8.049 -4.029 2 2092 595 970 1642 Selective Gatekeeper 3406 1EAZ MET 205 T -2.657 2.061 -8.05 -4.029 2 2697 698 1092 2026 Selective Selective 3407 1EAZ LYS 206 T -2.658 2.059 -8.046 -4.028 2 3315 921 1231 2472 Selective Selective 3408 1EAZ ASN 207 C -2.97 2.215 -7.735 -3.948 2 3878 1120 1379 2971 Selective Selective 3409 1EAZ TRP 208 E -6.019 7.76 -9.837 -4.804 3 4368 1273 1529 3539 Selective Selective 3410 1EAZ LYS 209 E -8.853 10.299 -13.193 -5.493 6 4859 1388 1674 4140 Selective Selective 3411 1EAZ ARG 210 E -10.741 14.29 -16.376 -7.081 8 5148 1545 1817 4798 Selective Selective 3412 1EAZ ARG 211 E -11.263 15.742 -16.271 -7.432 8 5335 1862 1940 5439 Selective Selective 3413 1EAZ TYR 212 E -14.475 21.952 -15.77 -6.108 8 5374 2012 2040 5929 Selective Selective 3414 1EAZ PHE 213 E -14.151 18.623 -16.127 -5.602 8 5171 2000 2113 6276 Selective Selective 3415 1EAZ GLN 214 E -12.019 12.162 -17.416 -6.141 8 4810 1820 2150 6412 Selective Selective 3416 1EAZ LEU 215 E -9.694 10.683 -13.704 -5.273 6 4352 1633 2157 6331 Selective Selective 3417 1EAZ ASP 216 E -9.311 11.047 -13.447 -5.236 6 3915 1567 2135 6204 Selective Selective 3418 1EAZ GLU 217 T -9.024 10.951 -13.372 -5.201 6 3461 1518 2087 5994 Selective Selective 3419 1EAZ ASN 218 T -9.02 10.98 -13.379 -5.203 6 2867 1406 2008 5690 Selective Selective 3420 1EAZ THR 219 E -9.024 10.98 -13.354 -5.197 6 2258 1187 1904 5300 Selective Selective 3421 1EAZ ILE 220 E -9.248 11.132 -13.227 -5.17 6 1697 993 1805 4849 Selective Selective 3422 1EAZ GLY 221 E -9.579 10.896 -13.275 -5.152 6 1211 844 1697 4338 Selective Selective 3423 1EAZ TYR 222 E -11.905 16.008 -14.49 -5.609 8 764 749 1601 3786 Gatekeeper Selective 3424 1EAZ PHE 223 E -10.55 13.387 -17.194 -7.95 8 481 599 1491 3133 Gatekeeper Selective 3425 1EAZ LYS 224 T -8.162 6.04 -13.829 -5.006 3 307 305 1369 2458 Inactive Selective 3426 1EAZ SER 225 T -6.825 4.88 -12.482 -4.693 3 257 214 1273 1895 Inactive Selective 3427 1EAZ GLU 226 T -4.664 4.283 -9.739 -4.62 2 256 215 1190 1430 Inactive Selective 3428 1EAZ LEU 227 T -4.364 4.868 -9.274 -4.423 2 253 232 1133 1116 Inactive Selective 3429 1EAZ GLU 228 T -4.318 5.115 -9.227 -4.408 2 279 264 1110 946 Inactive Selective 3430 1EAZ LYS 229 C -4.241 5.639 -8.943 -4.332 2 271 263 1084 794 Inactive Permissive 3431 1EAZ GLU 230 C -4.207 5.959 -8.773 -4.295 2 263 261 1062 675 Inactive Permissive 3432 1EAZ PRO 231 T -4.546 7.535 -7.974 -4.019 2 263 281 1047 599 Inactive Permissive 3433 1EAZ LEU 232 T -4.993 9.709 -7.276 -3.898 2 263 274 1029 550 Inactive Permissive 3434 1EAZ ARG 233 E -5.148 10.174 -6.866 -3.799 2 267 269 1001 517 Inactive Permissive 3435 1EAZ VAL 234 E -5.649 11.324 -6.738 -3.807 4 309 288 958 475 Inactive Inactive 3436 1EAZ ILE 235 E -6.426 13.92 -6.477 -3.813 4 289 270 922 441 Inactive Inactive 3437 1EAZ PRO 236 E -6.671 13.163 -7.7 -4.092 4 288 285 907 441 Inactive Inactive 3438 1EAZ LEU 237 G -6.843 12.676 -8.259 -4.234 4 280 252 900 448 Inactive Inactive 3439 1EAZ LYS 238 G -6.708 11.936 -8.809 -4.342 4 309 194 878 461 Inactive Inactive 3440 1EAZ GLU 239 G -6.662 11.882 -8.86 -4.346 4 322 170 839 486 Inactive Inactive 3441 1EAZ VAL 240 E -6.683 11.84 -8.866 -4.351 4 382 151 808 505 Inactive Inactive 3442 1EAZ HIS 241 E -7.137 11.102 -10.182 -4.581 4 479 117 785 514 Inactive Inactive 3443 1EAZ LYS 242 E -7.267 10.753 -10.329 -4.586 4 705 121 760 523 Inactive Inactive 3444 1EAZ VAL 243 E -7.705 12.112 -10.152 -4.569 4 932 143 738 530 Inactive Inactive 3445 1EAZ GLN 244 E -8.297 11.126 -12.43 -5.14 5 1406 241 717 537 Permissive Inactive 3446 1EAZ GLU 245 E -8.551 10.551 -13.748 -5.652 6 1610 259 729 563 Permissive Inactive 3447 1EAZ CYS 246 T -8.509 8.9 -14.516 -5.615 6 1787 361 759 632 Selective Inactive 3448 1EAZ LYS 247 T -7.848 5.621 -14.149 -4.866 3 1817 343 842 732 Selective Inactive 3449 1EAZ GLN 248 T -7.897 4.846 -14.381 -4.748 3 1869 340 883 829 Selective Inactive 3450 1EAZ SER 249 T -7.304 4.685 -13.377 -4.499 5 1951 314 915 910 Permissive Inactive 3451 1EAZ ASP 250 G -6.975 5.347 -12.824 -4.522 3 2021 316 953 1016 Permissive Gatekeeper 3452 1EAZ ILE 251 G -6.962 5.391 -12.816 -4.518 3 2066 317 977 1105 Permissive Selective 3453 1EAZ MET 252 G -7.06 5.613 -12.614 -4.519 3 2166 320 1005 1169 Permissive Selective 3454 1EAZ MET 253 C -7.068 5.618 -12.576 -4.515 3 2165 320 1023 1204 Permissive Selective 3455 1EAZ ARG 254 T -7.407 6.333 -12.341 -4.603 3 2080 319 1027 1222 Permissive Selective 3456 1EAZ ASP 255 T -8.777 6.875 -14.154 -4.878 6 1871 306 1020 1224 Permissive Selective 3457 1EAZ ASN 256 T -10.353 8.246 -16.695 -5.524 6 1711 297 1032 1257 Permissive Selective 3458 1EAZ LEU 257 E -10.787 9.081 -16.217 -5.399 6 1387 214 1046 1289 Permissive Selective 3459 1EAZ PHE 258 E -12.509 16.764 -15.616 -5.745 8 1251 208 1041 1308 Permissive Selective 3460 1EAZ GLU 259 E -11.131 13.992 -13.706 -5.098 7 1112 106 1030 1232 Inactive Selective 3461 1EAZ ILE 260 E -7.948 10.929 -9.67 -4.061 4 1123 98 981 1120 Permissive Selective 3462 1EAZ VAL 261 E -7.905 10.794 -9.922 -4.094 4 1121 92 958 999 Inactive Gatekeeper 3463 1EAZ THR 262 E -7.225 9.611 -10.614 -4.538 4 1133 133 914 887 Permissive Inactive 3464 1EAZ THR 263 T -7.223 9.617 -10.624 -4.54 4 1124 177 873 758 Permissive Inactive 3465 1EAZ SER 264 T -7.224 9.612 -10.621 -4.539 4 1116 236 853 652 Inactive Inactive 3466 1EAZ ARG 265 E -7.429 9.071 -11.022 -4.739 5 1059 315 851 557 Inactive Inactive 3467 1EAZ THR 266 E -7.449 9.073 -10.95 -4.746 5 1047 367 847 502 Gatekeeper Inactive 3468 1EAZ PHE 267 E -10.622 11.737 -14.036 -4.985 7 1099 447 858 472 Gatekeeper Inactive 3469 1EAZ TYR 268 E -12.434 16.461 -15.516 -5.597 8 1124 479 872 450 Selective Inactive 3470 1EAZ VAL 269 E -10.626 10.099 -14.866 -4.969 6 1122 485 841 379 Gatekeeper Inactive 3471 1EAZ GLN 270 E -10.433 9.197 -15.528 -5 6 997 458 808 302 Gatekeeper Inactive 3472 1EAZ ALA 271 C -8.263 5.219 -13.668 -4.449 5 956 465 767 219 Gatekeeper Inactive 3473 1EAZ ASP 272 C -7.809 4.868 -14.037 -4.672 5 962 477 720 180 Gatekeeper Inactive 3474 1EAZ SER 273 C -7.806 4.885 -14.05 -4.676 5 899 480 684 151 Gatekeeper Inactive 3475 1EAZ PRO 274 H -7.799 4.926 -14.071 -4.69 5 865 494 648 133 Gatekeeper Inactive 3476 1EAZ GLU 275 H -7.8 4.926 -14.066 -4.69 5 860 475 625 120 Gatekeeper Inactive 3477 1EAZ GLU 276 H -8.149 4.772 -14.425 -4.895 3 840 465 605 115 Gatekeeper Inactive 3478 1EAZ MET 277 H -9.925 8.764 -15.7 -5.477 6 810 505 575 103 Gatekeeper Inactive 3479 1EAZ HIS 278 H -10.013 9.083 -15.427 -5.445 6 806 589 534 96 Gatekeeper Inactive 3480 1EAZ SER 279 H -11.079 11.684 -15.444 -5.05 6 793 639 510 74 Gatekeeper Inactive 3481 1EAZ TRP 280 H -11.119 13.924 -13.587 -4.482 7 - - - - - - 3482 1EAZ ILE 281 H -9.956 11.09 -11.864 -3.498 5 - - - - - - 3483 1EAZ LYS 282 H -8.766 8.283 -11.937 -3.638 5 - - - - - - 3484 1EAZ ALA 283 H -8.709 8.486 -11.95 -3.643 5 - - - - - - 3485 1EAZ VAL 284 H -8.678 8.634 -12.018 -3.681 5 - - - - - - 3486 1EAZ SER 285 H -8.601 8.626 -12.455 -3.954 5 - - - - - - 3487 1EAZ GLY 286 H -8.09 8.226 -12.832 -4.672 5 - - - - - - 3488 1EAZ ALA 287 H -7.881 8.434 -12.363 -4.614 5 - - - - - - 3489 1EAZ ILE 288 H -6.828 6.513 -10.535 -3.689 2 - - - - - - 3490 1EAZ VAL 289 H -5.949 4.635 -9.671 -3.099 1 - - - - - - 3491 1EAZ ALA 290 H -5.949 4.635 -9.671 -3.099 1 - - - - - - 3492 1EAZ GLN 291 H -5.949 4.635 -9.671 -3.099 1 - - - - - - 3493 1EAZ ARG 292 C -5.949 4.635 -9.671 -3.099 1 - - - - - - 3494 1ESR PRO 2 T -1.269 1.684 -7.969 -4.655 2 - - - - - - 3495 1ESR ASP 3 T -1.269 1.684 -7.969 -4.655 2 - - - - - - 3496 1ESR SER 4 T -1.269 1.684 -7.969 -4.655 2 - - - - - - 3497 1ESR VAL 5 T -1.269 1.684 -7.969 -4.655 2 - - - - - - 3498 1ESR SER 6 T -1.303 1.809 -7.994 -4.753 2 - - - - - - 3499 1ESR ILE 7 T -1.296 2.056 -7.937 -4.791 2 - - - - - - 3500 1ESR PRO 8 C -1.364 2.166 -7.931 -4.896 2 - - - - - - 3501 1ESR ILE 9 C -1.578 2.892 -7.907 -5.161 2 - - - - - - 3502 1ESR THR 10 C -1.782 3.241 -7.829 -5.271 2 - - - - - - 3503 1ESR CYS 11 C -2.558 4.783 -8.091 -5.46 2 - - - - - - 3504 1ESR CYS 12 T -4.633 6.175 -11.311 -6.256 3 - - - - - - 3505 1ESR PHE 13 T -5.242 8.544 -9.233 -4.874 3 - - - - - - 3506 1ESR ASN 14 T -4.96 8.273 -7.842 -4.025 2 255 1333 1097 602 Gatekeeper Inactive 3507 1ESR VAL 15 T -4.523 8.529 -5.952 -3.293 1 220 947 1226 739 Gatekeeper Inactive 3508 1ESR ILE 16 C -4.317 8.962 -5.527 -3.213 1 212 859 1345 875 Gatekeeper Inactive 3509 1ESR ASN 17 C -4.086 8.943 -5.42 -3.23 1 178 783 1431 995 Gatekeeper Inactive 3510 1ESR ARG 18 C -4.107 8.992 -5.328 -3.189 1 161 699 1534 1099 Gatekeeper Gatekeeper 3511 1ESR LYS 19 C -4.168 9.141 -5.188 -3.185 1 160 618 1631 1207 Gatekeeper Selective 3512 1ESR ILE 20 C -4.411 9.449 -5.119 -3.213 1 159 551 1713 1302 Gatekeeper Selective 3513 1ESR PRO 21 C -4.68 9.171 -5.314 -3.277 1 162 504 1775 1390 Gatekeeper Selective 3514 1ESR ILE 22 G -5.967 11.256 -6.035 -3.334 1 158 434 1808 1440 Gatekeeper Selective 3515 1ESR GLN 23 G -7.027 11.018 -8.224 -4.032 4 139 298 1831 1489 Inactive Selective 3516 1ESR ARG 24 G -8.933 11.69 -11.235 -4.351 4 129 149 1864 1538 Inactive Selective 3517 1ESR LEU 25 E -9.319 12.388 -11.23 -4.43 7 123 119 1892 1566 Inactive Selective 3518 1ESR GLU 26 E -9.7 11.656 -12.486 -4.54 7 120 87 1897 1544 Inactive Selective 3519 1ESR SER 27 E -9.788 11.25 -12.52 -4.428 7 122 90 1866 1485 Inactive Selective 3520 1ESR TYR 28 E -8.071 11.255 -9.186 -3.796 4 117 97 1827 1377 Inactive Selective 3521 1ESR THR 29 E -6.92 8.095 -9.5 -3.78 4 111 89 1820 1269 Inactive Selective 3522 1ESR ARG 30 E -5.557 6.898 -8.121 -3.619 2 108 86 1825 1188 Inactive Selective 3523 1ESR ILE 31 E -3.915 6.027 -6.262 -3.577 1 150 144 1836 1150 Inactive Selective 3524 1ESR THR 32 C -2.869 4.79 -6.652 -4.128 1 146 171 1823 1115 Inactive Selective 3525 1ESR ASN 33 T -2.832 4.827 -6.718 -4.12 1 131 190 1792 1077 Inactive Permissive 3526 1ESR ILE 34 T -2.829 4.829 -6.731 -4.119 1 137 192 1769 1051 Inactive Permissive 3527 1ESR GLN 35 T -2.834 4.816 -6.725 -4.123 1 183 249 1751 1002 Inactive Permissive 3528 1ESR CYS 36 T -2.931 4.602 -6.819 -4.213 1 235 291 1730 957 Inactive Permissive 3529 1ESR PRO 37 C -4.415 5.527 -7.883 -3.936 2 321 335 1677 882 Inactive Permissive 3530 1ESR LYS 38 C -5.585 6.68 -9.355 -4.036 2 433 332 1621 815 Inactive Permissive 3531 1ESR GLU 39 C -6.143 8.506 -9.539 -4.331 4 476 331 1556 774 Permissive Inactive 3532 1ESR ALA 40 E -6.547 9.682 -9.046 -4.196 4 570 361 1486 742 Permissive Inactive 3533 1ESR VAL 41 E -7.223 11.274 -7.714 -3.577 4 632 372 1415 721 Selective Inactive 3534 1ESR ILE 42 E -10.128 13.209 -10.937 -3.903 7 677 380 1318 692 Selective Inactive 3535 1ESR PHE 43 E -11.751 16.787 -11.478 -3.987 7 695 459 1207 638 Selective Inactive 3536 1ESR LYS 44 E -10.106 8.052 -15.707 -5.651 6 651 486 1058 549 Selective Inactive 3537 1ESR THR 45 E -9.3 7.58 -15.053 -5.461 6 642 519 934 455 Selective Inactive 3538 1ESR GLN 46 T -8.5 7.242 -14.34 -5.499 6 649 560 830 368 Selective Inactive 3539 1ESR ARG 47 T -7.986 8.13 -12.956 -5.142 5 704 602 735 267 Selective Inactive 3540 1ESR GLY 48 T -7.4 8.118 -11.862 -4.849 3 729 604 667 221 Selective Inactive 3541 1ESR LYS 49 C -7.37 8.22 -11.805 -4.804 5 730 589 614 180 Selective Inactive 3542 1ESR GLU 50 E -7.381 8.276 -11.721 -4.783 5 675 553 605 208 Selective Inactive 3543 1ESR VAL 51 E -7.449 8.439 -11.424 -4.687 5 626 564 633 342 Selective Inactive 3544 1ESR CYS 52 E -7.603 8.34 -11.278 -4.623 5 669 588 692 598 Selective Inactive 3545 1ESR ALA 53 E -8.847 10.012 -11.895 -4.216 5 689 571 781 1008 Selective Inactive 3546 1ESR ASP 54 T -9.574 10.433 -12.909 -4.19 5 718 549 890 1499 Selective Gatekeeper 3547 1ESR PRO 55 T -9.871 9.658 -13.358 -4.022 5 734 538 1013 2097 Selective Gatekeeper 3548 1ESR LYS 56 T -10.07 8.754 -13.987 -4.115 5 808 443 1168 2789 Selective Gatekeeper 3549 1ESR GLU 57 T -10.429 8.592 -14.294 -4.188 6 931 354 1345 3629 Permissive Gatekeeper 3550 1ESR ARG 58 H -11.435 8.323 -16.134 -4.397 6 994 289 1520 4484 Permissive Gatekeeper 3551 1ESR TRP 59 H -12.464 11.723 -16.086 -4.393 8 1086 224 1691 5287 Permissive Selective 3552 1ESR VAL 60 H -12.574 11.636 -16.055 -4.312 8 1049 167 1848 5939 Permissive Selective 3553 1ESR ARG 61 H -12.807 11.528 -16.15 -4.205 8 1035 109 1974 6418 Permissive Selective 3554 1ESR ASP 62 H -12.111 10.849 -16.496 -4.989 8 999 82 2078 6774 Permissive Selective 3555 1ESR SER 63 H -12.175 10.97 -16.765 -5.247 8 978 68 2118 6963 Permissive Selective 3556 1ESR MET 64 H -12.101 11.119 -16.98 -5.358 8 - - - - - - 3557 1ESR LYS 65 H -11.384 10.326 -19.251 -7.412 8 - - - - - - 3558 1ESR HIS 66 H -10.514 10.065 -18.61 -7.776 6 - - - - - - 3559 1ESR LEU 67 H -9.938 9.36 -18.041 -7.628 6 - - - - - - 3560 1ESR ASP 68 H -8.446 6.005 -16.309 -6.8 6 - - - - - - 3561 1ESR GLN 69 H -6.787 5.318 -13.343 -5.907 3 - - - - - - 3562 1ESR ILE 70 H -5.796 4.813 -11.332 -4.978 3 - - - - - - 3563 1ESR PHE 71 H -5.257 4.128 -10.633 -4.491 2 - - - - - - 3564 1ESR GLN 72 H -4.385 3.549 -8.686 -3.698 2 - - - - - - 3565 1ESR ASN 73 H -3.225 2.39 -6.255 -2.632 1 - - - - - - 3566 1ESR LEU 74 C -3.225 2.39 -6.255 -2.632 1 - - - - - - 3567 1ESR LYS 75 C -3.225 2.39 -6.255 -2.632 1 - - - - - - 3568 1ESR PRO 76 C -3.225 2.39 -6.255 -2.632 1 - - - - - - 3569 1FAO PRO 162 C -2.002 2.045 -6.032 -3.209 1 - - - - - - 3570 1FAO SER 163 T -2.002 2.045 -6.032 -3.209 1 - - - - - - 3571 1FAO LEU 164 T -2.002 2.045 -6.032 -3.209 1 - - - - - - 3572 1FAO GLY 165 T -2.002 2.045 -6.032 -3.209 1 - - - - - - 3573 1FAO THR 166 T -2.614 3.305 -6.141 -3.667 1 - - - - - - 3574 1FAO LYS 167 E -5.261 6.655 -10.231 -5.33 3 - - - - - - 3575 1FAO GLU 168 E -6.35 8.926 -12.085 -6.596 3 - - - - - - 3576 1FAO GLY 169 E -7.303 9.404 -13.93 -7.46 6 - - - - - - 3577 1FAO TYR 170 E -9.673 14.198 -13.951 -6.481 8 - - - - - - 3578 1FAO LEU 171 E -10.61 15.307 -13.231 -5.612 8 - - - - - - 3579 1FAO THR 172 E -10.932 14.6 -13.681 -5.554 8 - - - - - - 3580 1FAO LYS 173 E -9.843 8.405 -16.297 -6.288 6 - - - - - - 3581 1FAO GLN 174 E -6.36 4.254 -12.131 -5.016 3 576 328 1472 3169 Inactive Selective 3582 1FAO GLY 175 T -2.234 1.847 -7.047 -4.166 1 676 366 1452 3132 Inactive Selective 3583 1FAO GLY 176 T -1.754 2.509 -6.679 -4.118 1 758 371 1425 3023 Inactive Selective 3584 1FAO LEU 177 T -1.754 2.513 -6.68 -4.118 1 848 343 1406 2879 Inactive Selective 3585 1FAO VAL 178 T -1.754 2.513 -6.681 -4.118 1 896 320 1384 2706 Inactive Selective 3586 1FAO LYS 179 T -1.754 2.512 -6.678 -4.117 1 1017 319 1362 2505 Inactive Selective 3587 1FAO THR 180 C -2.13 2.96 -6.061 -3.887 1 1256 326 1322 2312 Inactive Selective 3588 1FAO TRP 181 E -6.228 8.03 -9.41 -4.468 4 1488 332 1271 2084 Inactive Selective 3589 1FAO LYS 182 E -8.35 10.259 -12.795 -5.413 6 1640 313 1221 1879 Inactive Selective 3590 1FAO THR 183 E -8.8 11.451 -13.179 -5.968 6 1820 298 1202 1737 Permissive Selective 3591 1FAO ARG 184 E -10.238 13.208 -16.807 -8.036 8 2228 550 1205 1680 Permissive Selective 3592 1FAO TRP 185 E -13.7 20.312 -15.939 -6.323 8 2535 689 1214 1608 Permissive Selective 3593 1FAO PHE 186 E -11.901 15.88 -12.984 -4.677 7 2572 687 1206 1484 Permissive Selective 3594 1FAO THR 187 E -10.035 11.017 -13.163 -4.763 7 2478 540 1196 1303 Permissive Selective 3595 1FAO LEU 188 E -8.545 10.623 -11.424 -4.722 5 2467 462 1178 1107 Permissive Inactive 3596 1FAO HIS 189 E -8.262 10.821 -11.337 -4.695 5 2572 470 1167 972 Permissive Inactive 3597 1FAO ARG 190 T -8.224 10.957 -11.372 -4.705 5 2513 549 1169 881 Permissive Inactive 3598 1FAO ASN 191 T -8.225 10.949 -11.37 -4.705 5 2455 599 1175 825 Permissive Inactive 3599 1FAO GLU 192 E -8.252 10.956 -11.285 -4.702 5 2410 823 1180 800 Permissive Inactive 3600 1FAO LEU 193 E -8.739 11.426 -11.301 -4.681 5 2281 1125 1188 810 Permissive Permissive 3601 1FAO LYS 194 E -9.863 13.014 -11.907 -4.854 7 2090 1323 1226 848 Selective Permissive 3602 1FAO TYR 195 E -13.003 19.531 -15.158 -6.274 8 2027 1694 1240 868 Selective Permissive 3603 1FAO PHE 196 E -10.461 14.01 -16.167 -7.676 8 1858 1942 1220 818 Selective Permissive 3604 1FAO LYS 197 T -8.264 6.822 -13.243 -4.92 3 1452 1800 1175 720 Gatekeeper Inactive 3605 1FAO ASP 198 T -6.689 5.222 -11.344 -4.324 3 1136 1822 1150 638 Gatekeeper Inactive 3606 1FAO GLN 199 T -5.13 4.676 -9.261 -4.045 2 1050 1909 1143 608 Gatekeeper Inactive 3607 1FAO MET 200 T -4.531 5.284 -8.22 -3.756 2 1000 1966 1126 597 Gatekeeper Inactive 3608 1FAO SER 201 T -4.295 6.329 -7.65 -3.718 2 919 2142 1134 603 Gatekeeper Inactive 3609 1FAO PRO 202 T -4.252 6.538 -7.591 -3.704 2 769 2329 1123 594 Gatekeeper Inactive 3610 1FAO GLU 203 T -4.241 6.717 -7.504 -3.695 2 675 2284 1091 564 Gatekeeper Inactive 3611 1FAO PRO 204 T -4.378 7.271 -7.085 -3.608 2 634 2286 1039 523 Gatekeeper Inactive 3612 1FAO ILE 205 T -4.778 8.851 -6.567 -3.624 2 560 2064 985 473 Gatekeeper Inactive 3613 1FAO ARG 206 E -5.58 9.977 -6.816 -3.587 2 458 1765 932 401 Gatekeeper Inactive 3614 1FAO ILE 207 E -6.22 11.384 -6.682 -3.711 4 417 1558 857 325 Gatekeeper Inactive 3615 1FAO LEU 208 E -7.931 14.681 -8.275 -4.055 4 324 1191 810 256 Inactive Inactive 3616 1FAO ASP 209 E -7.409 12.49 -9.279 -4.755 4 273 941 774 220 Inactive Inactive 3617 1FAO LEU 210 G -7.385 12.358 -9.4 -4.766 4 279 830 757 211 Inactive Inactive 3618 1FAO THR 211 G -7.211 11.141 -10.053 -4.695 4 360 681 730 209 Inactive Inactive 3619 1FAO GLU 212 G -7.235 10.816 -10.19 -4.697 4 517 628 696 212 Inactive Inactive 3620 1FAO CYS 213 C -7.247 10.693 -10.223 -4.696 4 566 593 666 210 Inactive Inactive 3621 1FAO SER 214 C -7.838 8.472 -11.885 -4.501 5 582 409 637 193 Inactive Inactive 3622 1FAO ALA 215 E -7.952 7.805 -12.036 -4.453 5 633 232 615 185 Inactive Inactive 3623 1FAO VAL 216 E -9.28 9.413 -12.666 -4.178 5 717 256 626 212 Inactive Inactive 3624 1FAO GLN 217 E -9.945 8.826 -13.805 -4.244 5 915 488 686 319 Inactive Inactive 3625 1FAO PHE 218 E -10.348 9.646 -15.058 -4.942 6 1042 676 767 496 Inactive Inactive 3626 1FAO ASP 219 E -8.396 6.58 -13.506 -4.924 3 1143 701 854 698 Inactive Inactive 3627 1FAO TYR 220 T -8.23 6.941 -13.572 -4.966 3 1393 902 967 925 Inactive Inactive 3628 1FAO SER 221 T -7.909 6.499 -13.739 -4.952 3 1563 1089 1053 1167 Inactive Inactive 3629 1FAO GLN 222 T -7.869 6.553 -13.811 -4.975 3 1796 1437 1127 1424 Selective Gatekeeper 3630 1FAO GLU 223 T -7.555 6.508 -13.366 -4.869 3 1940 1716 1200 1688 Selective Selective 3631 1FAO ARG 224 T -7.713 6.514 -13.341 -4.853 3 1969 1900 1253 1940 Selective Selective 3632 1FAO VAL 225 T -7.776 6.345 -13.294 -4.825 3 1962 2260 1284 2169 Selective Selective 3633 1FAO ASN 226 T -8.017 6.574 -12.954 -4.772 3 2220 3246 1284 2397 Selective Selective 3634 1FAO CYS 227 E -8.072 6.501 -12.769 -4.722 5 2581 4285 1260 2607 Selective Selective 3635 1FAO PHE 228 E -11.53 12.471 -15.08 -4.959 8 2817 5215 1259 2893 Selective Selective 3636 1FAO CYS 229 E -11.188 13.441 -13.668 -4.596 7 2959 5693 1246 3063 Selective Selective 3637 1FAO LEU 230 E -11.037 15.198 -12.238 -4.368 7 3117 5898 1205 3159 Selective Selective 3638 1FAO VAL 231 E -10.98 15.081 -12.452 -4.408 7 3202 6053 1168 3133 Selective Gatekeeper 3639 1FAO PHE 232 E -10.053 15.526 -11.067 -4.664 7 3298 6661 1138 3060 Selective Gatekeeper 3640 1FAO PRO 233 T -10.027 15.524 -11.153 -4.674 7 3149 6847 1114 2933 Selective Gatekeeper 3641 1FAO PHE 234 T -10.074 15.62 -11.04 -4.705 7 3230 7003 1125 2799 Selective Gatekeeper 3642 1FAO ARG 235 E -10.14 15.605 -10.952 -4.744 7 3135 6749 1152 2604 Selective Gatekeeper 3643 1FAO THR 236 E -10.121 15.795 -10.96 -4.79 7 3107 6532 1155 2382 Selective Gatekeeper 3644 1FAO PHE 237 E -11.437 17.061 -12.92 -5.264 7 3221 6437 1162 2155 Selective Gatekeeper 3645 1FAO TYR 238 E -11.372 16.28 -13.209 -5.247 7 3162 6058 1193 1947 Selective Selective 3646 1FAO LEU 239 E -8.137 9.911 -10.497 -4.284 4 2906 5064 1238 1743 Selective Selective 3647 1FAO CYS 240 E -6.872 6.031 -11.553 -4.523 3 2533 4034 1308 1564 Selective Selective 3648 1FAO ALA 241 C -5.428 4.451 -10.016 -4.083 2 2254 3120 1366 1327 Selective Selective 3649 1FAO LYS 242 C -5.233 4.417 -10.222 -4.152 2 2141 2607 1424 1197 Selective Selective 3650 1FAO THR 243 C -5.225 4.442 -10.244 -4.153 2 1830 2156 1460 1095 Selective Permissive 3651 1FAO GLY 244 H -5.229 4.404 -10.245 -4.152 2 1734 1889 1480 1073 Selective Permissive 3652 1FAO VAL 245 H -5.262 4.34 -10.161 -4.129 2 1578 1248 1474 1083 Inactive Permissive 3653 1FAO GLU 246 H -5.955 4.43 -10.808 -4.325 3 1564 868 1454 1126 Inactive Permissive 3654 1FAO ALA 247 H -7.757 6.408 -12.043 -4.289 5 1363 527 1399 1184 Inactive Selective 3655 1FAO ASP 248 H -9.346 7.029 -14.331 -4.636 6 1314 438 1342 1326 Inactive Selective 3656 1FAO GLU 249 H -10.573 9.726 -15.155 -4.857 6 - - - - - - 3657 1FAO TRP 250 H -11.056 18.296 -11.371 -4.738 7 - - - - - - 3658 1FAO ILE 251 H -10.83 17.468 -11.304 -4.428 7 - - - - - - 3659 1FAO LYS 252 H -10.756 17.189 -11.485 -4.431 7 - - - - - - 3660 1FAO ILE 253 H -10.849 17.626 -11.143 -4.359 7 - - - - - - 3661 1FAO LEU 254 H -10.948 17.659 -11.065 -4.319 7 - - - - - - 3662 1FAO ARG 255 H -10.95 15.506 -13.08 -5 7 - - - - - - 3663 1FAO TRP 256 H -9.143 13.307 -11.92 -5.541 7 - - - - - - 3664 1FAO LYS 257 H -7.849 10.482 -10.6 -4.63 4 - - - - - - 3665 1FAO LEU 258 H -5.203 6.991 -6.506 -2.903 1 - - - - - - 3666 1FAO SER 259 H -5.203 6.991 -6.506 -2.903 1 - - - - - - 3667 1FAO GLN 260 H -5.203 6.991 -6.506 -2.903 1 - - - - - - 3668 1FAO ILE 261 C -5.203 6.991 -6.506 -2.903 1 - - - - - - 3669 1FIL ALA 1 C -6.809 7.21 -8.649 -2.968 2 - - - - - - 3670 1FIL GLY 2 C -6.809 7.21 -8.649 -2.968 2 - - - - - - 3671 1FIL TRP 3 H -6.809 7.21 -8.649 -2.968 2 - - - - - - 3672 1FIL ASN 4 H -6.809 7.21 -8.649 -2.968 2 - - - - - - 3673 1FIL ALA 5 H -7.724 8.317 -10.567 -4.048 4 - - - - - - 3674 1FIL TYR 6 H -10.057 12.165 -12.278 -4.275 7 - - - - - - 3675 1FIL ILE 7 H -10.241 12.066 -11.725 -3.826 7 - - - - - - 3676 1FIL ASP 8 H -9.921 10.884 -12.051 -3.733 5 - - - - - - 3677 1FIL ASN 9 H -9.687 10.508 -12.191 -3.776 5 - - - - - - 3678 1FIL LEU 10 H -9.129 8.645 -12.126 -3.809 5 - - - - - - 3679 1FIL MET 11 H -7.194 5.586 -11.664 -4.27 3 - - - - - - 3680 1FIL ALA 12 H -6.349 5.248 -11.273 -4.425 3 - - - - - - 3681 1FIL ASP 13 C -6.349 5.245 -11.276 -4.426 3 683 723 1367 718 Inactive Permissive 3682 1FIL GLY 14 C -6.35 5.24 -11.275 -4.427 3 718 803 1362 772 Inactive Selective 3683 1FIL THR 15 C -6.354 5.22 -11.27 -4.431 3 743 848 1365 817 Inactive Selective 3684 1FIL CYS 16 E -6.511 5.145 -11.156 -4.474 3 753 1044 1379 857 Inactive Selective 3685 1FIL GLN 17 E -10.429 7.082 -15.769 -5.062 6 752 1131 1416 883 Inactive Selective 3686 1FIL ASP 18 E -11.051 13.938 -10.407 -2.941 7 733 1292 1459 888 Inactive Selective 3687 1FIL ALA 19 E -9.185 12.693 -7.859 -2.487 4 674 1499 1481 849 Inactive Selective 3688 1FIL ALA 20 E -9.178 12.741 -7.881 -2.495 4 651 1663 1505 839 Inactive Selective 3689 1FIL ILE 21 E -9.161 12.846 -7.965 -2.541 4 609 1784 1563 850 Gatekeeper Selective 3690 1FIL VAL 22 E -8.248 12.341 -9.047 -3.751 4 561 1902 1610 863 Gatekeeper Selective 3691 1FIL GLY 23 E -6.612 8.837 -7.913 -3.443 2 452 2446 1653 862 Gatekeeper Selective 3692 1FIL TYR 24 T -5.993 9.564 -6.644 -3.13 1 438 3152 1720 847 Gatekeeper Selective 3693 1FIL LYS 25 T -5.586 7.738 -6.894 -2.785 1 533 3823 1791 836 Gatekeeper Selective 3694 1FIL ASP 26 T -5.509 7.775 -6.99 -2.778 1 657 4649 1838 810 Gatekeeper Selective 3695 1FIL SER 27 T -5.513 7.744 -6.974 -2.768 1 723 5486 1872 774 Gatekeeper Selective 3696 1FIL PRO 28 T -5.607 7.598 -6.826 -2.656 1 852 6517 1904 728 Gatekeeper Permissive 3697 1FIL SER 29 E -5.853 6.375 -7.27 -2.5 1 873 6827 1918 681 Gatekeeper Permissive 3698 1FIL VAL 30 E -6.746 8.163 -7.702 -2.728 2 961 7456 1920 660 Gatekeeper Permissive 3699 1FIL TRP 31 E -8.077 12.944 -7.991 -3.244 4 1022 7790 1929 662 Gatekeeper Permissive 3700 1FIL ALA 32 E -5.013 8.113 -5.88 -3.077 1 1264 8445 1923 675 Gatekeeper Permissive 3701 1FIL ALA 33 E -4.822 7.662 -6.173 -3.035 1 1492 9121 1921 686 Selective Permissive 3702 1FIL VAL 34 T -4.791 7.589 -6.313 -3.054 1 1609 9511 1896 689 Selective Permissive 3703 1FIL PRO 35 T -4.789 7.596 -6.322 -3.057 1 1733 9894 1860 676 Selective Permissive 3704 1FIL GLY 36 T -4.791 7.58 -6.317 -3.056 1 1778 9646 1789 667 Selective Permissive 3705 1FIL LYS 37 T -5.473 6.483 -7.283 -3.011 1 1771 9088 1693 641 Selective Permissive 3706 1FIL THR 38 C -6.515 6.528 -8.929 -3.428 2 1746 8621 1570 615 Selective Permissive 3707 1FIL PHE 39 G -8.097 11.427 -9.171 -3.814 4 1803 8272 1450 597 Selective Permissive 3708 1FIL VAL 40 G -7.874 10.227 -7.851 -2.606 4 1803 7944 1330 568 Selective Permissive 3709 1FIL ASN 41 G -7.066 8.934 -8.504 -3.086 4 1713 7370 1213 538 Selective Permissive 3710 1FIL ILE 42 C -7.056 8.934 -8.553 -3.092 4 1809 7385 1100 516 Selective Inactive 3711 1FIL THR 43 C -7.05 8.875 -8.593 -3.084 4 1808 7048 976 470 Selective Inactive 3712 1FIL PRO 44 H -7.058 8.751 -8.631 -3.083 4 1833 6883 838 412 Selective Inactive 3713 1FIL ALA 45 H -7.204 8.506 -8.897 -3.248 4 1624 6065 718 358 Selective Inactive 3714 1FIL GLU 46 H -8.89 8.544 -11.456 -3.114 5 1448 5258 598 301 Selective Inactive 3715 1FIL VAL 47 H -8.869 9.771 -10.656 -3.017 4 1538 4932 490 257 Selective Inactive 3716 1FIL GLY 48 H -8.689 9.773 -10.405 -3.107 4 1603 4561 403 218 Selective Inactive 3717 1FIL VAL 49 H -8.589 9.773 -10.268 -3.034 4 1627 4258 342 170 Selective Inactive 3718 1FIL LEU 50 H -8.182 8.973 -10.274 -3.205 4 1628 3981 292 138 Selective Inactive 3719 1FIL VAL 51 H -8.06 8.332 -10.937 -3.396 5 1552 3599 265 98 Selective Inactive 3720 1FIL GLY 52 T -8.025 7.214 -11.674 -3.514 5 1417 3023 260 62 Gatekeeper Inactive 3721 1FIL LYS 53 T -8.105 6.666 -12.102 -3.592 5 1395 2440 270 39 Gatekeeper Inactive 3722 1FIL ASP 54 T -8.163 6.386 -12.295 -3.677 5 1412 1959 279 30 Gatekeeper Inactive 3723 1FIL ARG 55 T -8.602 4.515 -14.31 -4.026 5 1421 1629 311 25 Permissive Inactive 3724 1FIL SER 56 T -8.976 3.557 -14.732 -3.846 5 1419 1349 353 23 Permissive Inactive 3725 1FIL SER 57 T -9.516 6.324 -13.461 -3.454 5 1426 1160 401 40 Permissive Inactive 3726 1FIL PHE 58 T -8.858 10.131 -10.445 -3.593 4 1581 1495 456 62 Permissive Inactive 3727 1FIL TYR 59 T -7.885 8.791 -9.74 -3.415 4 1611 1702 502 76 Permissive Inactive 3728 1FIL VAL 60 T -6.405 8.679 -7.919 -3.569 2 1458 1646 535 82 Permissive Inactive 3729 1FIL ASN 61 T -6.399 8.721 -7.944 -3.58 2 1345 1656 565 84 Inactive Inactive 3730 1FIL GLY 62 T -6.361 9.004 -7.993 -3.637 2 1321 1742 591 86 Inactive Inactive 3731 1FIL LEU 63 E -6.347 9.076 -8.006 -3.648 2 1289 1767 614 92 Gatekeeper Inactive 3732 1FIL THR 64 E -6.377 9.118 -7.954 -3.676 2 1287 1776 631 100 Gatekeeper Inactive 3733 1FIL LEU 65 E -7.59 12.159 -9.489 -4.351 4 1216 1807 641 106 Gatekeeper Inactive 3734 1FIL GLY 66 T -7.589 11.696 -9.814 -4.413 4 1260 1899 634 108 Gatekeeper Inactive 3735 1FIL GLY 67 T -8.013 10.179 -10.873 -4.363 4 1204 1890 615 109 Gatekeeper Inactive 3736 1FIL GLN 68 E -8.533 8.341 -13.303 -4.962 5 1082 1701 589 105 Inactive Inactive 3737 1FIL LYS 69 E -8.892 7.507 -14.555 -5.324 6 1011 1602 571 102 Inactive Inactive 3738 1FIL CYS 70 E -9.032 7.479 -14.53 -5.216 6 929 1447 551 86 Inactive Inactive 3739 1FIL SER 71 E -9.759 10.98 -11.925 -3.728 5 726 1025 512 64 Inactive Inactive 3740 1FIL VAL 72 E -9.605 11.191 -11.833 -3.761 5 640 771 484 49 Inactive Inactive 3741 1FIL ILE 73 E -9.589 11.199 -11.87 -3.762 5 578 603 483 43 Inactive Inactive 3742 1FIL ARG 74 E -9.621 11.158 -11.815 -3.743 5 500 426 501 58 Inactive Inactive 3743 1FIL ASP 75 E -9.886 11.226 -12.583 -4.095 7 426 277 553 105 Inactive Inactive 3744 1FIL SER 76 E -9.227 10.401 -12.232 -4.402 5 375 224 588 140 Inactive Inactive 3745 1FIL LEU 77 T -7.406 8.501 -10.579 -4.408 5 308 195 637 181 Inactive Inactive 3746 1FIL LEU 78 T -6.48 6.538 -10.124 -4.147 2 264 142 707 240 Inactive Inactive 3747 1FIL GLN 79 T -6.461 6.539 -10.2 -4.154 2 155 42 772 314 Inactive Inactive 3748 1FIL ASP 80 T -6.458 6.546 -10.216 -4.156 2 143 26 839 408 Inactive Inactive 3749 1FIL GLY 81 T -6.462 6.518 -10.201 -4.154 2 139 25 916 510 Inactive Inactive 3750 1FIL GLU 82 T -6.591 6.055 -10.126 -4.093 2 223 73 979 617 Inactive Inactive 3751 1FIL PHE 83 T -8.403 6.801 -12.59 -4.394 5 315 187 1050 741 Inactive Inactive 3752 1FIL SER 84 E -9.556 8.054 -13.361 -4.568 5 626 745 1117 911 Inactive Gatekeeper 3753 1FIL MET 85 E -12.773 12.497 -17.107 -5.825 8 985 1437 1202 1118 Inactive Selective 3754 1FIL ASP 86 E -15.346 14.496 -22.111 -7.319 8 1172 2158 1253 1224 Gatekeeper Selective 3755 1FIL LEU 87 E -12.378 14.561 -18.514 -8.121 8 1326 2911 1282 1325 Gatekeeper Selective 3756 1FIL ARG 88 E -9.425 11.092 -16.626 -8.377 6 1452 3714 1290 1398 Selective Selective 3757 1FIL THR 89 E -6.159 6.552 -9.592 -4.402 2 1624 4505 1341 1478 Selective Selective 3758 1FIL LYS 90 C -3.624 3.416 -7.503 -4.035 2 1859 5339 1383 1589 Selective Selective 3759 1FIL SER 91 C -1.085 1.976 -4.724 -3.625 1 2099 6130 1421 1746 Selective Selective 3760 1FIL THR 92 T -0.579 2.695 -5.168 -4.13 1 2288 6844 1454 1907 Selective Selective 3761 1FIL GLY 93 T -0.567 2.766 -5.236 -4.164 1 2458 7445 1473 2082 Selective Selective 3762 1FIL GLY 94 T -0.567 2.765 -5.235 -4.164 1 2484 7681 1468 2259 Selective Selective 3763 1FIL ALA 95 T -0.573 2.742 -5.18 -4.141 1 2406 7717 1456 2445 Selective Selective 3764 1FIL PRO 96 C -1.078 2.661 -4.063 -3.362 1 2319 7603 1423 2596 Selective Selective 3765 1FIL THR 97 C -3.254 4.704 -5.7 -3.569 1 2014 7042 1375 2699 Selective Selective 3766 1FIL PHE 98 C -7.685 8.819 -10.884 -4.586 5 1681 6351 1310 2780 Selective Selective 3767 1FIL ASN 99 E -11.311 12.196 -17.641 -6.9 8 1542 5634 1252 3025 Selective Selective 3768 1FIL VAL 100 E -11.509 13.875 -15.224 -5.604 8 1635 4906 1192 3208 Selective Gatekeeper 3769 1FIL THR 101 E -11.373 14.484 -13.599 -4.774 7 1692 4110 1125 3298 Selective Gatekeeper 3770 1FIL VAL 102 E -11.345 14.325 -13.675 -4.744 7 1583 3321 1042 3366 Selective Gatekeeper 3771 1FIL THR 103 E -11.319 14.189 -13.834 -4.783 7 1469 2488 968 3392 Selective Gatekeeper 3772 1FIL LYS 104 E -11.374 14.162 -14.114 -4.967 7 1356 1699 885 3347 Inactive Gatekeeper 3773 1FIL THR 105 T -11.265 13.884 -14.195 -5.059 7 1392 1001 839 3290 Inactive Gatekeeper 3774 1FIL ASP 106 T -11.326 13.839 -14.085 -4.885 7 1340 409 842 3193 Inactive Gatekeeper 3775 1FIL LYS 107 T -11.254 14.659 -13.513 -4.776 7 1379 176 879 3074 Inactive Gatekeeper 3776 1FIL THR 108 E -11.218 15.112 -13.055 -4.604 7 1537 131 921 2912 Permissive Gatekeeper 3777 1FIL LEU 109 E -11.231 15.451 -12.767 -4.525 7 1829 368 973 2718 Permissive Gatekeeper 3778 1FIL VAL 110 E -11.252 16.47 -11.941 -4.268 7 1990 466 1049 2501 Permissive Gatekeeper 3779 1FIL LEU 111 E -11.388 17.315 -11.51 -4.158 7 2098 564 1103 2265 Permissive Gatekeeper 3780 1FIL LEU 112 E -10.724 15.312 -13.164 -5.385 7 2103 610 1152 1939 Permissive Gatekeeper 3781 1FIL MET 113 E -8.123 9.888 -10.787 -4.633 5 1911 666 1197 1660 Permissive Gatekeeper 3782 1FIL GLY 114 E -6.282 6.886 -8.535 -3.527 2 1814 842 1268 1504 Permissive Selective 3783 1FIL LYS 115 T -4.82 6.257 -6.577 -3.141 1 1850 936 1332 1419 Permissive Selective 3784 1FIL GLU 116 T -4.107 5.587 -7.173 -3.632 1 1840 1014 1399 1375 Permissive Selective 3785 1FIL GLY 117 T -3.76 4.827 -7.628 -3.762 1 1852 1101 1453 1340 Permissive Selective 3786 1FIL VAL 118 T -3.733 4.854 -7.639 -3.74 1 1748 1142 1480 1323 Permissive Selective 3787 1FIL HIS 119 C -3.704 4.966 -7.584 -3.72 1 1700 1157 1476 1345 Permissive Selective 3788 1FIL GLY 120 H -3.793 4.765 -7.774 -3.818 2 1750 1212 1437 1422 Permissive Selective 3789 1FIL GLY 121 H -4.107 4.387 -8.008 -3.796 2 1611 1176 1405 1535 Permissive Selective 3790 1FIL LEU 122 H -5.044 6.415 -7.312 -3.318 2 1342 930 1370 1743 Inactive Selective 3791 1FIL ILE 123 H -5.368 7.1 -6.894 -3.35 1 1224 837 1353 2071 Inactive Selective 3792 1FIL ASN 124 H -8.36 8.646 -11.705 -4.337 5 1343 752 1353 2345 Inactive Selective 3793 1FIL LYS 125 H -9.312 9.765 -13.239 -5.017 6 1460 701 1379 2635 Permissive Selective 3794 1FIL LYS 126 H -12.072 12.041 -17.699 -6.223 8 1675 621 1391 2892 Permissive Selective 3795 1FIL CYS 127 H -12.722 11.634 -17.478 -5.222 8 - - - - - - 3796 1FIL TYR 128 H -12.535 11.606 -16.547 -4.747 8 - - - - - - 3797 1FIL GLU 129 H -11.646 10.362 -14.996 -4.238 6 - - - - - - 3798 1FIL MET 130 H -11.543 10.88 -14.615 -4.136 7 - - - - - - 3799 1FIL ALA 131 H -11.536 10.887 -14.635 -4.133 7 - - - - - - 3800 1FIL SER 132 H -11.571 10.776 -14.498 -4.062 7 - - - - - - 3801 1FIL HIS 133 H -11.623 10.697 -14.419 -4.057 7 - - - - - - 3802 1FIL LEU 134 H -12.444 12.771 -13.979 -3.939 7 - - - - - - 3803 1FIL ARG 135 H -13.873 11.66 -17.384 -4.303 8 - - - - - - 3804 1FIL ARG 136 H -10.859 7.817 -13.864 -3.323 5 - - - - - - 3805 1FIL SER 137 C -10.859 7.817 -13.864 -3.323 5 - - - - - - 3806 1FIL GLN 138 C -10.859 7.817 -13.864 -3.323 5 - - - - - - 3807 1FIL TYR 139 C -10.859 7.817 -13.864 -3.323 5 - - - - - - 3808 1FL0 ILE 150 C -8.321 9.866 -10.377 -3.754 4 - - - - - - 3809 1FL0 ASP 151 C -8.321 9.866 -10.377 -3.754 4 - - - - - - 3810 1FL0 VAL 152 G -8.321 9.866 -10.377 -3.754 4 - - - - - - 3811 1FL0 SER 153 G -8.321 9.866 -10.377 -3.754 4 - - - - - - 3812 1FL0 ARG 154 G -10.947 12.591 -13.695 -4.716 7 - - - - - - 3813 1FL0 LEU 155 C -12.48 17.553 -14.198 -5.567 8 - - - - - - 3814 1FL0 ASP 156 C -13.011 15.289 -15.945 -5.309 8 - - - - - - 3815 1FL0 LEU 157 E -12.891 15.027 -16.156 -5.284 8 - - - - - - 3816 1FL0 ARG 158 E -12.517 14.121 -16.196 -5.169 8 - - - - - - 3817 1FL0 ILE 159 E -9.126 12.504 -10.609 -4.248 4 - - - - - - 3818 1FL0 GLY 160 E -8.808 11.064 -11.512 -4.282 4 - - - - - - 3819 1FL0 CYS 161 E -8.685 10.917 -11.672 -4.261 5 - - - - - - 3820 1FL0 ILE 162 E -8.623 10.924 -11.677 -4.199 4 77 153 862 889 Inactive Gatekeeper 3821 1FL0 ILE 163 E -8.561 10.861 -11.761 -4.184 5 101 177 852 719 Inactive Inactive 3822 1FL0 THR 164 E -8.844 9.855 -12.506 -4.15 5 123 194 872 608 Inactive Inactive 3823 1FL0 ALA 165 E -8.954 10.784 -12.054 -4.021 5 134 201 934 588 Inactive Inactive 3824 1FL0 ARG 166 E -8.258 9.856 -11.43 -4.228 5 147 203 993 674 Inactive Inactive 3825 1FL0 LYS 167 E -7.578 10.152 -11.072 -4.712 4 158 201 1066 860 Inactive Gatekeeper 3826 1FL0 HIS 168 T -6.794 8.226 -10.945 -4.649 3 173 201 1153 1097 Inactive Gatekeeper 3827 1FL0 PRO 169 T -6.449 7.411 -11.02 -4.514 3 197 211 1253 1349 Inactive Selective 3828 1FL0 ASP 170 T -6.432 7.421 -11.061 -4.517 3 227 202 1360 1593 Inactive Selective 3829 1FL0 ALA 171 T -6.453 7.343 -11.052 -4.525 3 251 193 1463 1828 Inactive Selective 3830 1FL0 ASP 172 T -6.519 6.996 -11.067 -4.481 3 261 172 1565 2060 Inactive Selective 3831 1FL0 SER 173 T -6.889 6.517 -11.203 -4.358 3 254 140 1644 2280 Inactive Selective 3832 1FL0 LEU 174 T -8.449 8.285 -12.335 -4.539 5 307 323 1714 2498 Inactive Selective 3833 1FL0 TYR 175 E -11.897 13.412 -14.623 -4.761 7 280 339 1789 2774 Inactive Selective 3834 1FL0 VAL 176 E -12.295 13.967 -15.345 -5.018 8 255 331 1820 2970 Inactive Selective 3835 1FL0 GLU 177 E -12.118 13.933 -15.445 -5.104 8 239 339 1838 3058 Inactive Selective 3836 1FL0 GLU 178 E -9.603 12.74 -11.56 -4.566 7 240 404 1833 3014 Inactive Selective 3837 1FL0 VAL 179 E -9.26 11.925 -12.177 -4.658 7 239 527 1820 2862 Inactive Selective 3838 1FL0 ASP 180 E -7.195 6.463 -11.613 -4.406 3 257 796 1786 2627 Inactive Selective 3839 1FL0 VAL 181 T -4.935 4.868 -9.056 -4.06 2 262 1022 1746 2354 Gatekeeper Selective 3840 1FL0 GLY 182 T -3.019 3.46 -7.12 -3.841 1 277 1266 1695 2115 Gatekeeper Selective 3841 1FL0 GLU 183 T -3.018 3.461 -7.122 -3.841 1 252 1338 1640 1888 Gatekeeper Selective 3842 1FL0 ILE 184 T -3.018 3.462 -7.123 -3.841 1 244 1420 1576 1681 Gatekeeper Selective 3843 1FL0 ALA 185 T -3.019 3.46 -7.119 -3.84 1 243 1484 1508 1483 Gatekeeper Selective 3844 1FL0 PRO 186 T -3.042 3.402 -7.039 -3.83 1 247 1697 1438 1298 Gatekeeper Selective 3845 1FL0 ARG 187 E -7.348 6.642 -11.735 -4.122 3 192 1526 1349 1105 Gatekeeper Selective 3846 1FL0 THR 188 E -7.787 8.434 -11.321 -4.174 5 195 1497 1252 844 Gatekeeper Selective 3847 1FL0 VAL 189 E -8.327 12.525 -10.474 -4.539 4 207 1500 1165 660 Gatekeeper Inactive 3848 1FL0 VAL 190 E -8.033 12.944 -10.148 -4.531 4 211 1484 1063 537 Gatekeeper Inactive 3849 1FL0 SER 191 E -7.574 11.802 -10.455 -4.7 4 214 1449 965 477 Gatekeeper Inactive 3850 1FL0 GLY 192 C -6.391 11.835 -8.6 -4.798 4 233 1387 880 438 Gatekeeper Inactive 3851 1FL0 LEU 193 T -6.345 11.948 -8.572 -4.767 4 261 1170 828 407 Gatekeeper Inactive 3852 1FL0 VAL 194 T -6.258 11.557 -8.722 -4.666 4 332 973 774 382 Gatekeeper Inactive 3853 1FL0 ASN 195 T -6.26 11.489 -8.747 -4.663 4 349 744 738 353 Inactive Inactive 3854 1FL0 HIS 196 T -6.294 11.524 -8.639 -4.65 4 493 721 712 351 Permissive Inactive 3855 1FL0 VAL 197 T -6.969 10.125 -9.93 -4.205 4 754 770 700 363 Permissive Inactive 3856 1FL0 PRO 198 C -7.029 9.221 -10.547 -4.272 4 1093 839 698 390 Permissive Inactive 3857 1FL0 LEU 199 G -7.505 8.884 -11.653 -4.529 5 1404 664 717 440 Permissive Inactive 3858 1FL0 GLU 200 G -7.58 8.758 -11.7 -4.574 5 1740 691 791 537 Permissive Inactive 3859 1FL0 GLN 201 G -7.6 8.721 -11.663 -4.579 5 1976 713 851 666 Permissive Inactive 3860 1FL0 MET 202 T -7.992 9.877 -11.511 -4.909 5 2137 709 926 825 Permissive Gatekeeper 3861 1FL0 GLN 203 T -9.894 9.704 -15.25 -5.539 6 2258 767 1012 1017 Permissive Gatekeeper 3862 1FL0 ASN 204 T -10.438 8.697 -16.289 -5.692 6 2343 826 1078 1190 Permissive Gatekeeper 3863 1FL0 ARG 205 E -12.343 13.601 -16.103 -5.099 8 2426 881 1125 1350 Permissive Gatekeeper 3864 1FL0 MET 206 E -11.957 16.769 -13.494 -4.73 7 2438 881 1163 1441 Permissive Gatekeeper 3865 1FL0 VAL 207 E -11.682 17.266 -12.832 -4.584 7 2421 919 1190 1489 Selective Selective 3866 1FL0 ILE 208 E -11.704 17.566 -12.597 -4.557 7 2393 938 1210 1513 Selective Selective 3867 1FL0 LEU 209 E -11.836 18.522 -11.968 -4.463 7 2254 913 1217 1510 Permissive Selective 3868 1FL0 LEU 210 E -11.77 17.829 -12.553 -4.619 7 1984 819 1197 1486 Permissive Selective 3869 1FL0 CYS 211 T -10.933 12.281 -14.767 -5.264 6 1633 723 1189 1439 Permissive Selective 3870 1FL0 ASN 212 T -10.081 10.771 -13.927 -4.818 6 1309 700 1175 1358 Permissive Selective 3871 1FL0 LEU 213 T -6.783 11.099 -8.22 -4.158 4 963 647 1160 1251 Permissive Gatekeeper 3872 1FL0 LYS 214 C -6.496 10.757 -8.686 -4.276 4 722 618 1177 1132 Permissive Selective 3873 1FL0 PRO 215 C -6.43 10.753 -8.796 -4.27 4 554 611 1179 998 Permissive Selective 3874 1FL0 ALA 216 E -5.571 8.476 -8.946 -4.424 2 425 537 1189 853 Permissive Selective 3875 1FL0 LYS 217 E -4.727 9.07 -7.567 -4.444 2 326 442 1202 737 Inactive Permissive 3876 1FL0 MET 218 T -4.707 9.158 -7.583 -4.468 2 213 322 1239 665 Inactive Permissive 3877 1FL0 ARG 219 T -4.715 9.146 -7.566 -4.469 2 152 268 1293 674 Inactive Permissive 3878 1FL0 GLY 220 T -4.718 9.138 -7.557 -4.471 2 103 202 1329 713 Inactive Permissive 3879 1FL0 VAL 221 T -4.836 9.438 -7.237 -4.47 2 111 185 1349 752 Inactive Permissive 3880 1FL0 LEU 222 E -6.289 11.359 -8.372 -4.677 4 122 174 1374 795 Inactive Selective 3881 1FL0 SER 223 E -7.64 10.497 -10.583 -4.688 4 142 161 1429 841 Inactive Selective 3882 1FL0 GLN 224 C -9.015 10.458 -12.581 -4.936 5 151 141 1480 885 Inactive Selective 3883 1FL0 ALA 225 C -10.479 13.886 -13.224 -4.897 7 158 133 1534 944 Inactive Selective 3884 1FL0 MET 226 E -10.313 14.385 -12.772 -4.936 7 168 137 1569 991 Inactive Selective 3885 1FL0 VAL 227 E -10.231 14.309 -12.883 -4.957 7 184 150 1578 1017 Inactive Selective 3886 1FL0 MET 228 C -10.245 14.317 -12.853 -4.96 7 198 203 1578 999 Inactive Selective 3887 1FL0 CYS 229 E -9.619 10.317 -13.88 -4.815 6 243 517 1541 961 Inactive Selective 3888 1FL0 ALA 230 E -7.034 5.85 -11.588 -4.352 3 510 1381 1519 907 Selective Selective 3889 1FL0 SER 231 E -5.58 5.534 -10.706 -4.856 3 630 2197 1486 823 Selective Selective 3890 1FL0 SER 232 E -4.727 6.821 -8.985 -4.693 2 887 3551 1428 730 Selective Permissive 3891 1FL0 PRO 233 T -4.725 6.827 -9.001 -4.695 2 1125 4952 1367 641 Selective Permissive 3892 1FL0 GLU 234 T -4.725 6.827 -9 -4.695 2 1297 6097 1318 561 Selective Permissive 3893 1FL0 LYS 235 E -4.737 6.848 -8.948 -4.703 2 1842 7860 1276 491 Selective Permissive 3894 1FL0 ILE 236 E -4.884 7.226 -8.473 -4.645 2 2602 10095 1224 426 Selective Permissive 3895 1FL0 GLU 237 E -7.943 8.429 -12.656 -5.343 5 3315 12119 1165 368 Selective Inactive 3896 1FL0 ILE 238 E -10.282 14.52 -11.848 -4.316 7 4035 14255 1103 308 Selective Inactive 3897 1FL0 LEU 239 C -7.776 11.342 -8.686 -3.599 4 4653 16257 1031 244 Selective Inactive 3898 1FL0 ALA 240 B -4.971 6.975 -7.515 -3.721 2 5239 18129 980 186 Selective Inactive 3899 1FL0 PRO 241 C -4.346 8.255 -6.963 -4.058 2 5745 20091 947 160 Selective Inactive 3900 1FL0 PRO 242 T -4.123 7.779 -7.328 -4.123 2 5933 20936 941 143 Selective Inactive 3901 1FL0 ASN 243 T -3.952 7.452 -7.572 -4.18 2 5799 20611 918 133 Selective Inactive 3902 1FL0 GLY 244 T -3.925 7.426 -7.659 -4.197 2 5861 20393 899 125 Selective Inactive 3903 1FL0 SER 245 T -4.033 7.524 -7.699 -4.293 2 5657 19496 870 111 Selective Inactive 3904 1FL0 VAL 246 T -4.321 6.638 -8.341 -4.325 2 5462 18777 857 102 Selective Inactive 3905 1FL0 PRO 247 T -4.663 6.563 -8.512 -4.373 2 5304 18119 855 97 Selective Inactive 3906 1FL0 GLY 248 T -5.711 7.071 -9.601 -4.513 2 4807 16948 851 95 Selective Inactive 3907 1FL0 ASP 249 E -7.323 7.958 -11.29 -4.479 5 4066 15273 844 89 Selective Inactive 3908 1FL0 ARG 250 E -8.615 8.613 -12.563 -4.49 5 3410 13925 855 100 Selective Inactive 3909 1FL0 ILE 251 B -6.918 13.79 -7.149 -4.281 4 2776 12508 866 108 Selective Inactive 3910 1FL0 THR 252 C -6.652 14.591 -7.018 -4.392 4 2189 10996 865 117 Selective Inactive 3911 1FL0 PHE 253 T -6.182 14.233 -6.553 -4.175 4 1632 9669 849 134 Selective Inactive 3912 1FL0 ASP 254 T -4.11 8.865 -6.075 -4.172 2 1126 8447 831 140 Selective Inactive 3913 1FL0 ALA 255 T -4.089 8.891 -6.163 -4.185 2 917 8098 804 143 Selective Inactive 3914 1FL0 PHE 256 T -4.093 8.853 -6.165 -4.185 2 809 8260 781 149 Selective Inactive 3915 1FL0 PRO 257 T -4.095 8.813 -6.173 -4.184 2 754 8405 755 153 Selective Inactive 3916 1FL0 GLY 258 C -4.101 8.709 -6.206 -4.19 2 718 8229 743 163 Selective Inactive 3917 1FL0 GLU 259 C -5.927 8.93 -9.346 -4.569 4 672 7704 750 186 Selective Inactive 3918 1FL0 PRO 260 C -6.852 6.434 -12.404 -4.735 3 647 7334 762 218 Selective Inactive 3919 1FL0 ASP 261 T -7.002 5.272 -13.043 -4.769 3 620 6740 797 251 Selective Inactive 3920 1FL0 LYS 262 T -7.085 5.67 -12.878 -4.807 3 595 6159 849 299 Selective Inactive 3921 1FL0 GLU 263 T -7.789 9.035 -12.716 -4.986 5 549 5475 875 356 Selective Inactive 3922 1FL0 LEU 264 T -6.029 8.477 -8.998 -4.35 2 480 4776 909 448 Selective Inactive 3923 1FL0 ASN 265 T -4.697 6.719 -8.493 -4.472 2 481 4323 951 552 Selective Inactive 3924 1FL0 PRO 266 T -4.666 6.825 -8.536 -4.473 2 453 3778 982 690 Selective Inactive 3925 1FL0 LYS 267 T -4.667 6.822 -8.532 -4.473 2 443 2976 1013 860 Selective Gatekeeper 3926 1FL0 LYS 268 T -4.667 6.822 -8.529 -4.472 2 422 2166 1043 1044 Selective Gatekeeper 3927 1FL0 LYS 269 T -4.728 6.652 -8.49 -4.488 2 400 1464 1084 1236 Selective Gatekeeper 3928 1FL0 ILE 270 H -6.424 8.972 -9.429 -4.516 4 291 727 1144 1483 Inactive Gatekeeper 3929 1FL0 TRP 271 H -8.604 14.038 -11.105 -5.127 7 294 452 1210 1739 Inactive Selective 3930 1FL0 GLU 272 H -8.675 13.582 -11.393 -5.107 7 286 321 1262 1981 Inactive Selective 3931 1FL0 GLN 273 H -9.019 12.502 -12.503 -5.078 7 267 186 1320 2222 Inactive Selective 3932 1FL0 ILE 274 H -9.052 12.112 -12.547 -4.974 7 235 190 1356 2379 Inactive Selective 3933 1FL0 GLN 275 G -9.104 11.216 -12.76 -4.847 7 222 206 1390 2520 Inactive Selective 3934 1FL0 PRO 276 G -9.061 11.245 -12.797 -4.828 7 235 231 1449 2609 Inactive Selective 3935 1FL0 ASP 277 G -9.569 11.804 -13.017 -4.768 7 220 204 1481 2614 Inactive Selective 3936 1FL0 LEU 278 E -10.07 12.712 -13.048 -4.674 7 196 154 1499 2570 Inactive Selective 3937 1FL0 HIS 279 E -9.709 8.604 -15.178 -5.166 6 194 131 1511 2467 Inactive Selective 3938 1FL0 THR 280 E -8.549 7.081 -14.636 -5.463 6 259 247 1519 2347 Inactive Selective 3939 1FL0 ASN 281 T -6.852 6.899 -11.983 -5.172 3 286 372 1530 2207 Inactive Selective 3940 1FL0 ASP 282 T -6.719 7.106 -11.921 -5.067 3 287 396 1556 2057 Inactive Selective 3941 1FL0 GLU 283 T -6.716 7.124 -11.927 -5.066 3 269 406 1560 1844 Inactive Selective 3942 1FL0 CYS 284 T -6.719 7.123 -11.909 -5.064 3 244 409 1533 1620 Inactive Selective 3943 1FL0 VAL 285 B -6.743 7.134 -11.801 -5.046 3 235 446 1505 1380 Inactive Selective 3944 1FL0 ALA 286 E -7.648 8.071 -11.723 -4.661 5 233 466 1446 1131 Inactive Selective 3945 1FL0 THR 287 E -8.423 13.91 -10.444 -5.096 7 247 711 1396 963 Inactive Selective 3946 1FL0 TYR 288 E -7.077 14.036 -8.01 -4.727 4 254 1008 1328 781 Gatekeeper Permissive 3947 1FL0 LYS 289 T -6.565 14.191 -7.459 -4.582 4 282 1377 1250 636 Gatekeeper Permissive 3948 1FL0 GLY 290 T -6.535 14.191 -7.525 -4.571 4 319 1766 1192 535 Gatekeeper Permissive 3949 1FL0 VAL 291 E -6.536 14.193 -7.518 -4.57 4 351 1961 1151 478 Selective Inactive 3950 1FL0 PRO 292 E -6.557 14.191 -7.43 -4.549 4 366 2108 1129 444 Selective Inactive 3951 1FL0 PHE 293 C -6.816 14.237 -7.34 -4.479 4 327 2025 1095 399 Gatekeeper Inactive 3952 1FL0 GLU 294 E -6.142 7.742 -9.86 -4.607 3 331 1917 1077 367 Gatekeeper Inactive 3953 1FL0 VAL 295 E -4.316 6.45 -8.232 -4.639 2 381 1919 1030 335 Selective Inactive 3954 1FL0 LYS 296 T -4.013 6.483 -8.3 -4.64 2 562 1969 991 319 Selective Inactive 3955 1FL0 GLY 297 T -4.005 6.505 -8.328 -4.644 2 729 2035 980 309 Selective Inactive 3956 1FL0 LYS 298 T -4.005 6.503 -8.328 -4.644 2 787 2036 951 315 Selective Inactive 3957 1FL0 GLY 299 E -4.021 6.476 -8.286 -4.644 2 800 2063 938 339 Selective Inactive 3958 1FL0 VAL 300 E -4.536 6.576 -8.458 -4.644 2 784 1826 905 351 Selective Inactive 3959 1FL0 CYS 301 C -6.57 8.144 -10.477 -4.869 3 - - - - - - 3960 1FL0 ARG 302 B -9.859 10.324 -13.756 -4.429 5 - - - - - - 3961 1FL0 ALA 303 T -10.046 9.492 -14.837 -4.731 6 - - - - - - 3962 1FL0 GLN 304 T -10.251 7.783 -17.479 -5.773 6 - - - - - - 3963 1FL0 THR 305 T -9.344 7.561 -15.794 -5.607 6 - - - - - - 3964 1FL0 MET 306 T -9.358 7.537 -15.768 -5.621 6 - - - - - - 3965 1FL0 SER 307 T -9.365 7.515 -15.749 -5.622 6 - - - - - - 3966 1FL0 ASN 308 T -9.411 7.534 -15.617 -5.608 6 - - - - - - 3967 1FL0 SER 309 E -9.437 7.969 -15.277 -5.553 6 - - - - - - 3968 1FL0 GLY 310 E -7.969 11.785 -9.629 -4.34 4 - - - - - - 3969 1FL0 ILE 311 E -7.969 11.785 -9.629 -4.34 4 - - - - - - 3970 1FL0 LYS 312 E -7.969 11.785 -9.629 -4.34 4 - - - - - - 3971 1FL0 LEU 313 C -7.969 11.785 -9.629 -4.34 4 - - - - - - 3972 1FNA GLY 6 C -7.053 9.158 -9.319 -3.674 4 - - - - - - 3973 1FNA SER 7 C -7.053 9.158 -9.319 -3.674 4 - - - - - - 3974 1FNA LEU 8 E -7.053 9.158 -9.319 -3.674 4 - - - - - - 3975 1FNA GLU 9 E -7.053 9.158 -9.319 -3.674 4 - - - - - - 3976 1FNA VAL 10 E -5.899 9.801 -6.728 -3.437 4 - - - - - - 3977 1FNA VAL 11 E -5.853 9.6 -6.853 -3.389 1 - - - - - - 3978 1FNA ALA 12 E -5.855 9.517 -6.858 -3.365 1 - - - - - - 3979 1FNA ALA 13 E -5.834 9.494 -6.924 -3.357 1 - - - - - - 3980 1FNA THR 14 E -5.831 9.503 -6.939 -3.357 1 - - - - - - 3981 1FNA PRO 15 T -6.955 8.488 -8.726 -3.083 4 - - - - - - 3982 1FNA THR 16 T -7.54 9.058 -9.176 -3.179 4 - - - - - - 3983 1FNA SER 17 E -7.694 9.438 -8.962 -3.263 4 - - - - - - 3984 1FNA LEU 18 E -8.807 11.543 -9.662 -3.591 4 1993 5368 1585 1504 Permissive Gatekeeper 3985 1FNA LEU 19 E -10.602 14.405 -11.527 -3.93 7 2011 5393 1636 1556 Permissive Selective 3986 1FNA ILE 20 E -10.761 15.318 -11.466 -4.101 7 2085 5697 1689 1612 Permissive Selective 3987 1FNA SER 21 E -10.281 13.489 -11.554 -4.112 7 2056 5883 1703 1677 Permissive Selective 3988 1FNA TRP 22 E -7.745 10.848 -8.267 -3.499 4 2215 6322 1734 1751 Permissive Selective 3989 1FNA ASP 23 C -4.897 5.755 -6.503 -2.916 1 2298 6377 1742 1908 Permissive Selective 3990 1FNA ALA 24 C -4.296 5.823 -6.411 -3.028 1 2672 6839 1741 2069 Selective Selective 3991 1FNA PRO 25 C -4.149 6.152 -6.452 -3.087 1 2834 7230 1746 2214 Selective Selective 3992 1FNA ALA 26 C -4.118 6.227 -6.46 -3.066 1 2894 6960 1753 2366 Selective Selective 3993 1FNA VAL 27 C -4.119 6.218 -6.457 -3.065 1 2934 6545 1766 2502 Selective Selective 3994 1FNA THR 28 C -4.303 6.399 -6.442 -3.12 1 3099 6314 1788 2645 Permissive Selective 3995 1FNA VAL 29 C -4.917 7.374 -6.595 -3.17 1 3583 6904 1781 2746 Selective Selective 3996 1FNA ARG 30 C -5.875 7.614 -6.605 -2.69 1 4188 7541 1760 2840 Selective Selective 3997 1FNA TYR 31 E -9.25 12.309 -8.917 -3.12 4 4741 8141 1729 2947 Selective Selective 3998 1FNA TYR 32 E -12.537 16.296 -11.655 -3.523 7 5044 8885 1709 3060 Selective Selective 3999 1FNA ARG 33 E -13.396 18.923 -13.742 -5.046 8 5126 9278 1667 3125 Selective Selective 4000 1FNA ILE 34 E -11.502 18.586 -13.876 -6.817 8 5040 9504 1654 3101 Selective Selective 4001 1FNA THR 35 E -10.358 15.186 -16.245 -8.525 8 4883 9391 1623 3025 Selective Selective 4002 1FNA TYR 36 E -7.719 11.785 -13.917 -8.159 6 4658 9597 1605 2814 Selective Gatekeeper 4003 1FNA GLY 37 E -4.276 4.387 -9.187 -4.865 2 4399 9715 1600 2577 Selective Gatekeeper 4004 1FNA GLU 38 E -3.119 3.296 -7.74 -4.374 2 4330 9558 1599 2358 Selective Gatekeeper 4005 1FNA THR 39 T -1.697 2.532 -5.632 -3.835 1 4388 10326 1608 2163 Selective Gatekeeper 4006 1FNA GLY 40 T -0.927 1.662 -5.853 -3.996 1 4474 11333 1607 1977 Selective Gatekeeper 4007 1FNA GLY 41 T -0.787 1.971 -5.987 -4.064 1 4267 11620 1613 1778 Selective Gatekeeper 4008 1FNA ASN 42 C -0.778 2.001 -6.007 -4.062 1 3740 11134 1607 1610 Selective Gatekeeper 4009 1FNA SER 43 C -0.793 1.953 -5.905 -4.013 1 3059 10441 1602 1439 Selective Gatekeeper 4010 1FNA PRO 44 C -0.987 1.564 -5.417 -3.644 1 2445 9871 1592 1231 Selective Inactive 4011 1FNA VAL 45 C -1.885 2.63 -4.552 -2.903 1 2119 8989 1574 1028 Selective Inactive 4012 1FNA GLN 46 E -3.36 3.56 -5.932 -2.947 1 1944 8311 1569 862 Selective Inactive 4013 1FNA GLU 47 E -5.233 7.225 -9.958 -5.214 3 1847 7840 1561 773 Selective Inactive 4014 1FNA PHE 48 E -6.028 11.549 -9.279 -5.517 4 1812 7581 1569 694 Selective Inactive 4015 1FNA THR 49 E -5.105 8.724 -6.798 -3.64 2 1746 7267 1596 675 Selective Inactive 4016 1FNA VAL 50 E -4.883 7.493 -6.896 -3.271 1 1544 6824 1622 676 Gatekeeper Permissive 4017 1FNA PRO 51 E -4.753 7.113 -7.133 -3.266 1 1386 6734 1635 662 Gatekeeper Permissive 4018 1FNA GLY 52 T -4.557 7.052 -7.112 -3.336 1 1197 6160 1618 628 Inactive Inactive 4019 1FNA SER 53 T -4.563 6.953 -7.154 -3.336 1 1018 5459 1612 595 Inactive Inactive 4020 1FNA LYS 54 T -4.751 6.741 -7.556 -3.432 2 1011 5281 1574 572 Inactive Inactive 4021 1FNA SER 55 C -4.951 7.227 -7.391 -3.475 2 1050 5427 1545 544 Inactive Inactive 4022 1FNA THR 56 E -5.099 8.186 -7.009 -3.542 2 1084 5521 1530 535 Inactive Inactive 4023 1FNA ALA 57 E -5.071 10.04 -5.716 -3.343 1 1076 5483 1552 584 Inactive Inactive 4024 1FNA THR 58 E -4.551 10.893 -4.752 -3.442 1 1085 5573 1588 640 Inactive Inactive 4025 1FNA ILE 59 E -4.558 10.916 -4.728 -3.444 1 1064 5550 1616 722 Inactive Inactive 4026 1FNA SER 60 C -4.523 10.733 -4.941 -3.479 1 1082 5470 1656 802 Inactive Permissive 4027 1FNA GLY 61 C -4.404 10.239 -5.337 -3.569 1 1108 5437 1670 905 Inactive Permissive 4028 1FNA LEU 62 C -4.556 10.402 -5.393 -3.665 1 1041 5033 1657 977 Inactive Permissive 4029 1FNA LYS 63 T -5.073 8.716 -7.457 -3.943 2 1113 4746 1664 1077 Inactive Permissive 4030 1FNA PRO 64 T -5.127 8.487 -7.484 -3.942 2 1214 4526 1670 1182 Inactive Permissive 4031 1FNA GLY 65 T -5.255 8.421 -7.328 -3.922 2 1227 4215 1714 1277 Inactive Permissive 4032 1FNA VAL 66 E -6.411 7.82 -9.444 -4.003 2 1156 3840 1742 1360 Inactive Selective 4033 1FNA ASP 67 E -6.703 6.932 -10.32 -4.339 3 1121 3455 1778 1453 Inactive Selective 4034 1FNA TYR 68 E -9.251 13.228 -10.721 -4.681 7 1203 3131 1801 1520 Inactive Selective 4035 1FNA THR 69 E -11.291 14.236 -13.628 -4.772 7 1270 2867 1816 1561 Inactive Selective 4036 1FNA ILE 70 E -11.151 17.584 -11.103 -4.376 7 1424 3162 1801 1541 Inactive Selective 4037 1FNA THR 71 E -10.93 17.343 -10.948 -4.251 7 1507 3479 1766 1495 Inactive Selective 4038 1FNA VAL 72 E -10.652 17.599 -10.434 -4.179 7 1606 3918 1724 1401 Inactive Selective 4039 1FNA TYR 73 E -10.002 15.981 -10.542 -4.475 7 1594 4252 1637 1286 Inactive Permissive 4040 1FNA ALA 74 E -8.639 11.236 -11.515 -4.738 5 1565 4488 1559 1149 Inactive Inactive 4041 1FNA VAL 75 E -6.78 7.632 -10.666 -4.616 3 1613 5205 1499 1037 Inactive Inactive 4042 1FNA THR 76 T -5.948 6.025 -10.29 -4.417 2 1614 5881 1427 893 Inactive Inactive 4043 1FNA GLY 77 T -5.645 5.289 -10.262 -4.211 2 1548 6544 1378 751 Inactive Inactive 4044 1FNA ARG 78 T -5.522 4.788 -10.356 -4.05 2 1562 7209 1315 631 Gatekeeper Inactive 4045 1FNA GLY 79 T -4.381 2.121 -9.004 -3.447 2 1630 7958 1267 530 Gatekeeper Inactive 4046 1FNA ASP 80 T -4.314 2.225 -9.061 -3.453 2 1632 8463 1235 442 Selective Inactive 4047 1FNA SER 81 T -4.342 2.063 -9.01 -3.408 1 1586 8823 1212 378 Gatekeeper Inactive 4048 1FNA PRO 82 T -4.368 1.968 -8.957 -3.385 1 1513 9100 1168 332 Gatekeeper Inactive 4049 1FNA ALA 83 T -4.384 1.95 -8.908 -3.386 1 1337 8473 1112 312 Gatekeeper Inactive 4050 1FNA SER 84 T -5.549 3.66 -9.726 -3.633 2 - - - - - - 4051 1FNA SER 85 T -7.707 5.6 -12.222 -3.616 5 - - - - - - 4052 1FNA LYS 86 C -7.864 7.182 -11.404 -3.5 5 - - - - - - 4053 1FNA PRO 87 C -7.822 9.959 -9.665 -3.374 4 - - - - - - 4054 1FNA ILE 88 E -7.864 10.197 -9.436 -3.354 4 - - - - - - 4055 1FNA SER 89 E -7.879 10.226 -9.342 -3.338 4 - - - - - - 4056 1FNA ILE 90 E -8.02 10.611 -8.82 -3.218 4 - - - - - - 4057 1FNA ASN 91 E -8.218 10.813 -8.593 -3.292 4 - - - - - - 4058 1FNA TYR 92 E -10.211 13.301 -10.751 -3.661 7 - - - - - - 4059 1FNA ARG 93 E -7.388 8.569 -7.718 -2.515 4 - - - - - - 4060 1FNA THR 94 E -7.388 8.569 -7.718 -2.515 4 - - - - - - 4061 1FNA GLU 95 C -7.388 8.569 -7.718 -2.515 4 - - - - - - 4062 1FNA ILE 96 C -7.388 8.569 -7.718 -2.515 4 - - - - - - 4063 1FNL GLU 3 C -3.47 0.683 -8.475 -3.212 1 - - - - - - 4064 1FNL ASP 4 C -3.47 0.683 -8.475 -3.212 1 - - - - - - 4065 1FNL LEU 5 C -3.47 0.683 -8.475 -3.212 1 - - - - - - 4066 1FNL PRO 6 C -3.47 0.683 -8.475 -3.212 1 - - - - - - 4067 1FNL LYS 7 C -4.944 2.751 -10.802 -4.406 2 - - - - - - 4068 1FNL ALA 8 C -6.456 4.839 -12.479 -5.054 3 - - - - - - 4069 1FNL VAL 9 E -7.975 7.251 -14.187 -5.538 6 - - - - - - 4070 1FNL VAL 10 E -8.807 12.627 -11.903 -4.723 7 - - - - - - 4071 1FNL PHE 11 E -8.933 13.712 -10.728 -4.174 7 - - - - - - 4072 1FNL LEU 12 E -8.961 14.015 -10.581 -4.197 7 - - - - - - 4073 1FNL GLU 13 E -9.189 14.137 -10.742 -4.315 7 - - - - - - 4074 1FNL PRO 14 T -9.752 14.186 -11.572 -4.432 7 - - - - - - 4075 1FNL GLN 15 T -10.145 13.665 -12.595 -4.832 7 880 1910 1385 6893 Gatekeeper Selective 4076 1FNL TRP 16 T -10.669 15.227 -12.247 -5.068 7 893 1743 1376 7459 Gatekeeper Selective 4077 1FNL TYR 17 T -14.262 18.109 -16.686 -5.49 8 867 1379 1363 7984 Gatekeeper Selective 4078 1FNL SER 18 E -12.207 16.281 -14.02 -5.282 8 717 747 1374 8333 Inactive Selective 4079 1FNL VAL 19 E -11.746 15.653 -14.178 -5.24 8 635 277 1384 8545 Inactive Selective 4080 1FNL LEU 20 E -11.517 15.072 -14.566 -5.303 8 579 237 1404 8579 Inactive Selective 4081 1FNL GLU 21 T -11.204 14.042 -14.781 -5.236 8 472 102 1431 8311 Inactive Selective 4082 1FNL LYS 22 T -10.881 13.568 -14.594 -5.15 8 402 58 1444 7929 Inactive Selective 4083 1FNL ASP 23 b -10.878 13.338 -14.624 -5.08 7 377 67 1458 7387 Inactive Selective 4084 1FNL SER 24 C -10.583 13.916 -13.637 -4.911 7 354 63 1479 6819 Inactive Selective 4085 1FNL VAL 25 E -10.383 14.024 -13.452 -4.968 7 332 82 1476 6227 Inactive Selective 4086 1FNL THR 26 E -10.158 13.314 -13.83 -5.203 7 313 134 1451 5600 Inactive Selective 4087 1FNL LEU 27 E -8.588 10.637 -12.833 -5.552 6 289 256 1429 4963 Inactive Selective 4088 1FNL LYS 28 E -7.575 7.679 -13.208 -5.52 3 148 466 1400 4341 Inactive Selective 4089 1FNL CYS 29 E -7.353 8.374 -12.931 -5.549 6 102 694 1368 3701 Inactive Selective 4090 1FNL GLN 30 E -7.337 8.416 -12.953 -5.546 6 133 819 1342 3152 Inactive Selective 4091 1FNL GLY 31 C -7.22 8.409 -12.87 -5.439 3 279 1129 1334 2729 Gatekeeper Selective 4092 1FNL ALA 32 C -7.198 8.119 -12.871 -5.324 3 526 1332 1334 2338 Gatekeeper Selective 4093 1FNL TYR 33 C -7.454 8.707 -12.744 -5.174 5 712 1491 1332 1994 Gatekeeper Selective 4094 1FNL SER 34 B -6.04 3.187 -12.479 -4.798 3 1128 1687 1322 1821 Selective Selective 4095 1FNL PRO 35 T -5.924 3.359 -12.57 -4.816 3 1549 1836 1314 1699 Selective Selective 4096 1FNL GLU 36 T -5.935 3.261 -12.579 -4.815 3 1936 1848 1285 1600 Selective Selective 4097 1FNL ASP 37 B -5.944 3.195 -12.575 -4.818 3 2167 1871 1239 1491 Selective Selective 4098 1FNL ASN 38 C -5.95 3.157 -12.56 -4.815 3 2326 1859 1215 1377 Selective Permissive 4099 1FNL SER 39 C -6.934 4.275 -13.039 -4.916 3 2451 1806 1204 1288 Selective Inactive 4100 1FNL THR 40 C -9.539 6.757 -15.835 -5.505 6 2592 1674 1188 1222 Selective Inactive 4101 1FNL GLN 41 E -12.478 8.853 -18.973 -5.821 8 2780 1467 1160 1150 Selective Inactive 4102 1FNL TRP 42 E -13.995 15.624 -17.802 -5.835 8 2952 1248 1097 1027 Selective Inactive 4103 1FNL PHE 43 E -10.298 9.71 -14.512 -4.944 6 3000 1124 1020 819 Selective Inactive 4104 1FNL HIS 44 E -7.998 7.661 -12.446 -4.756 5 2919 814 922 620 Permissive Inactive 4105 1FNL ASN 45 T -7.108 7.727 -11.282 -4.503 5 2827 625 820 458 Permissive Inactive 4106 1FNL GLU 46 T -7.05 7.824 -11.333 -4.487 5 2861 468 726 352 Permissive Inactive 4107 1FNL SER 47 E -6.984 7.945 -11.327 -4.448 5 2583 273 632 234 Permissive Inactive 4108 1FNL LEU 48 E -6.961 8.016 -11.349 -4.452 5 2316 126 559 153 Permissive Inactive 4109 1FNL ILE 49 E -7.064 8.099 -11.164 -4.391 5 2093 93 525 119 Permissive Inactive 4110 1FNL SER 50 E -7.819 8.995 -11.764 -4.29 5 2115 75 532 116 Permissive Inactive 4111 1FNL SER 51 C -8.038 8.962 -11.91 -4.286 5 2161 79 565 159 Permissive Inactive 4112 1FNL GLN 52 C -8.604 8.952 -12.977 -4.571 5 2148 103 612 245 Permissive Inactive 4113 1FNL ALA 53 C -9.263 7.417 -14.833 -4.58 6 2114 146 674 355 Permissive Inactive 4114 1FNL SER 54 C -9.589 7.124 -15.458 -4.698 6 2021 217 747 430 Permissive Inactive 4115 1FNL SER 55 E -9.479 9.41 -14.357 -4.853 6 1994 485 833 477 Permissive Inactive 4116 1FNL TYR 56 E -8.615 13.636 -10.428 -4.812 7 2202 864 943 575 Permissive Inactive 4117 1FNL PHE 57 E -7.854 11.878 -10.004 -4.373 4 2208 1033 1032 697 Permissive Inactive 4118 1FNL ILE 58 E -7.474 10.422 -10.266 -4.153 4 2112 1150 1137 912 Selective Inactive 4119 1FNL ASP 59 T -7.105 8.895 -10.579 -4.024 4 2057 1343 1239 1236 Selective Permissive 4120 1FNL ALA 60 T -6.753 7.611 -10.73 -3.904 3 2205 1610 1344 1676 Selective Selective 4121 1FNL ALA 61 b -6.589 7.158 -10.915 -3.947 3 2245 1725 1463 2117 Selective Selective 4122 1FNL THR 62 C -6.576 6.673 -11.201 -3.973 3 2353 1872 1591 2522 Selective Selective 4123 1FNL VAL 63 G -6.62 6.379 -11.384 -4.006 3 2271 1953 1692 2923 Selective Selective 4124 1FNL ASN 64 G -6.756 6.183 -11.498 -4.039 3 2388 2098 1763 3292 Selective Selective 4125 1FNL ASP 65 G -7.114 6.265 -11.975 -4.267 3 2467 2089 1825 3622 Selective Selective 4126 1FNL SER 66 C -7.747 5.649 -13.175 -4.475 5 2450 2060 1882 3918 Selective Selective 4127 1FNL GLY 67 E -8.612 5.161 -14.477 -4.733 5 2399 1988 1941 4356 Selective Selective 4128 1FNL GLU 68 E -11.877 6.923 -18.843 -5.571 8 2435 1722 2015 4905 Selective Selective 4129 1FNL TYR 69 E -14.912 14.363 -20.315 -6.079 8 2328 1449 2058 5289 Selective Selective 4130 1FNL ARG 70 E -14.427 12.238 -20.877 -6.325 8 2299 1421 2106 5487 Selective Selective 4131 1FNL CYS 71 E -11.745 9.702 -17.7 -5.943 8 2228 1364 2111 5511 Selective Selective 4132 1FNL GLN 72 E -11.381 10.224 -17.452 -5.918 8 2054 1176 2111 5339 Selective Selective 4133 1FNL THR 73 T -10.098 9.613 -15.095 -5.279 6 1763 908 2070 4976 Permissive Selective 4134 1FNL ASN 74 T -9.88 9.634 -15.107 -5.235 6 1566 792 1992 4585 Permissive Selective 4135 1FNL LEU 75 T -9.831 9.675 -15.149 -5.215 6 1289 644 1885 4226 Permissive Selective 4136 1FNL SER 76 T -9.825 9.632 -15.152 -5.194 6 1121 555 1762 3851 Permissive Selective 4137 1FNL THR 77 C -9.306 9.155 -14.532 -5.067 6 799 399 1640 3473 Inactive Selective 4138 1FNL LEU 78 C -9.263 9.118 -14.333 -4.933 6 602 396 1513 3101 Inactive Selective 4139 1FNL SER 79 C -9.243 9.023 -14.359 -4.918 6 509 419 1396 2740 Inactive Selective 4140 1FNL ASP 80 C -9.11 9.614 -13.935 -4.85 6 459 462 1263 2274 Inactive Selective 4141 1FNL PRO 81 C -9.101 9.72 -13.878 -4.837 6 319 560 1131 1740 Inactive Gatekeeper 4142 1FNL VAL 82 E -9.415 10.417 -13.676 -4.721 5 154 460 1019 1351 Inactive Inactive 4143 1FNL GLN 83 E -9.686 11.08 -13.478 -4.737 7 131 324 915 1158 Inactive Inactive 4144 1FNL LEU 84 E -9.381 13.275 -11.75 -4.647 7 185 356 829 1031 Inactive Inactive 4145 1FNL GLU 85 E -7.744 10.059 -10.879 -4.725 4 206 406 748 984 Inactive Inactive 4146 1FNL VAL 86 E -7.243 11.442 -9.787 -4.606 4 232 579 702 1005 Inactive Inactive 4147 1FNL HIS 87 E -6.973 12.321 -9.347 -4.666 4 251 749 664 1037 Inactive Inactive 4148 1FNL ILE 88 C -6.711 13.598 -8.519 -4.654 4 334 1302 628 1070 Gatekeeper Inactive 4149 1FNL GLY 89 C -6.714 13.608 -8.507 -4.655 4 365 1569 609 1089 Gatekeeper Inactive 4150 1FNL TRP 90 C -6.823 14.363 -8.03 -4.641 4 497 1830 595 1096 Gatekeeper Inactive 4151 1FNL LEU 91 E -7.018 15.096 -7.661 -4.689 4 554 1897 593 1094 Gatekeeper Inactive 4152 1FNL LEU 92 E -7.317 15.92 -7.05 -4.635 4 606 1901 582 1079 Gatekeeper Inactive 4153 1FNL LEU 93 E -10.192 18.417 -10.073 -5.13 7 646 1956 579 1050 Gatekeeper Inactive 4154 1FNL GLN 94 E -12.639 16.73 -15.065 -5.073 8 638 1982 563 1002 Gatekeeper Inactive 4155 1FNL ALA 95 T -9.13 14.021 -9.332 -3.857 4 657 2085 550 914 Gatekeeper Inactive 4156 1FNL PRO 96 T -9.024 14.209 -9.492 -3.903 4 658 2196 568 800 Gatekeeper Inactive 4157 1FNL ARG 97 T -8.968 14.207 -9.683 -3.951 4 663 2202 591 707 Gatekeeper Inactive 4158 1FNL TRP 98 T -8.966 14.215 -9.7 -3.957 4 706 2241 605 629 Gatekeeper Inactive 4159 1FNL VAL 99 E -8.954 14.199 -9.792 -3.986 4 703 2093 647 584 Gatekeeper Inactive 4160 1FNL PHE 100 E -9.665 14.446 -11.582 -4.514 7 708 1944 684 554 Gatekeeper Inactive 4161 1FNL LYS 101 E -8.19 7.875 -12.749 -4.801 5 714 1434 720 502 Gatekeeper Inactive 4162 1FNL GLU 102 T -8.121 8.066 -12.778 -4.812 5 723 1185 748 475 Gatekeeper Inactive 4163 1FNL GLU 103 T -8.076 8.3 -12.758 -4.809 5 640 953 786 475 Inactive Inactive 4164 1FNL ASP 104 b -8.07 8.366 -12.738 -4.801 5 626 902 815 518 Inactive Inactive 4165 1FNL PRO 105 C -8.076 8.327 -12.724 -4.795 5 629 898 843 591 Inactive Inactive 4166 1FNL ILE 106 E -8.996 11 -12.63 -4.784 5 644 803 864 691 Inactive Inactive 4167 1FNL HIS 107 E -9.509 11.893 -12.422 -4.722 7 629 672 896 841 Inactive Inactive 4168 1FNL LEU 108 E -10.54 14.339 -11.908 -4.508 7 604 562 910 1000 Inactive Inactive 4169 1FNL ARG 109 E -12.703 16.245 -14.185 -4.787 7 608 451 898 1153 Inactive Inactive 4170 1FNL CYS 110 E -14.109 14.478 -19.007 -5.82 8 554 343 878 1301 Inactive Inactive 4171 1FNL HIS 111 E -10.933 11.904 -15.388 -5.888 8 496 246 871 1427 Inactive Gatekeeper 4172 1FNL SER 112 E -7.558 10.87 -10.935 -5.371 4 478 218 838 1497 Inactive Gatekeeper 4173 1FNL TRP 113 T -6.083 10.115 -9.281 -5.096 4 469 195 822 1588 Inactive Gatekeeper 4174 1FNL LYS 114 T -5.339 9.928 -8.468 -4.908 4 395 153 823 1695 Inactive Gatekeeper 4175 1FNL ASN 115 T -5.31 9.93 -8.538 -4.898 4 380 144 862 1818 Inactive Gatekeeper 4176 1FNL THR 116 T -5.31 9.931 -8.539 -4.898 4 401 119 918 1962 Inactive Gatekeeper 4177 1FNL ALA 117 C -5.323 9.91 -8.485 -4.887 4 486 100 972 2107 Inactive Gatekeeper 4178 1FNL LEU 118 E -5.497 9.863 -8.264 -4.823 4 483 78 1050 2277 Inactive Gatekeeper 4179 1FNL HIS 119 E -7.101 10.018 -9.959 -4.698 4 497 85 1141 2460 Inactive Gatekeeper 4180 1FNL LYS 120 E -9.63 12.876 -12.311 -4.741 7 541 89 1218 2585 Inactive Selective 4181 1FNL VAL 121 E -10.316 13.648 -12.239 -4.464 7 766 243 1308 2718 Inactive Selective 4182 1FNL THR 122 E -11.406 16.018 -12.883 -4.893 7 1018 388 1389 2801 Permissive Selective 4183 1FNL TYR 123 E -12.479 17.283 -14.861 -5.504 8 1434 599 1467 2847 Permissive Selective 4184 1FNL LEU 124 E -8.175 7.308 -13.503 -5.311 6 1841 708 1529 2816 Permissive Selective 4185 1FNL GLN 125 E -6 5.17 -12.154 -5.499 3 2434 910 1599 2826 Permissive Selective 4186 1FNL ASN 126 T -5.881 5.292 -12.213 -5.446 3 3039 1046 1664 2830 Permissive Selective 4187 1FNL GLY 127 T -5.82 5.574 -12.155 -5.419 3 3298 1151 1698 2824 Selective Selective 4188 1FNL LYS 128 E -5.818 5.59 -12.158 -5.419 3 3509 1172 1698 2767 Selective Selective 4189 1FNL ASP 129 E -5.829 5.558 -12.133 -5.421 3 3632 1203 1663 2668 Selective Selective 4190 1FNL ARG 130 E -6.606 6.761 -12.169 -5.195 3 3668 1315 1627 2515 Selective Selective 4191 1FNL LYS 131 E -7.174 8.306 -11.672 -5.178 3 3696 1379 1550 2310 Selective Selective 4192 1FNL TYR 132 E -9.068 11.345 -13.053 -5.332 6 3746 1554 1479 2074 Selective Selective 4193 1FNL PHE 133 E -9.821 12.623 -13.341 -5.266 7 3725 1626 1407 1860 Selective Selective 4194 1FNL HIS 134 E -9.311 9.726 -14.343 -5.267 6 3523 1483 1334 1638 Selective Selective 4195 1FNL HIS 135 E -9.312 9.71 -14.348 -5.267 6 3266 1347 1285 1469 Selective Selective 4196 1FNL ASN 136 T -9.541 8.138 -15.15 -5.273 6 2873 1155 1240 1307 Selective Permissive 4197 1FNL SER 137 C -9.545 8.151 -15.12 -5.263 6 2475 1072 1203 1216 Permissive Inactive 4198 1FNL ASP 138 E -9.421 9.434 -14.339 -5.161 6 1905 1027 1150 1111 Permissive Inactive 4199 1FNL PHE 139 E -8.03 13.128 -9.349 -4.535 4 1384 1187 1088 987 Selective Inactive 4200 1FNL HIS 140 E -6.617 10.3 -8.434 -3.973 4 1134 1217 1072 895 Selective Inactive 4201 1FNL ILE 141 E -6.556 10.158 -8.636 -3.962 4 1037 1475 1043 880 Selective Inactive 4202 1FNL PRO 142 T -6.52 10.039 -8.796 -3.962 4 969 1704 1054 940 Selective Inactive 4203 1FNL LYS 143 T -6.389 9.366 -9.266 -3.985 4 979 1633 1078 1037 Selective Inactive 4204 1FNL ALA 144 b -6.406 9.022 -9.395 -3.962 4 974 1580 1126 1123 Selective Inactive 4205 1FNL THR 145 C -6.988 7.227 -11.342 -4.056 3 883 1400 1168 1215 Gatekeeper Inactive 4206 1FNL LEU 146 G -7.117 6.783 -11.615 -4.116 3 874 1338 1226 1258 Gatekeeper Permissive 4207 1FNL LYS 147 G -7.219 6.531 -11.656 -4.143 3 968 1372 1266 1286 Gatekeeper Permissive 4208 1FNL ASP 148 G -8.216 5.756 -13.812 -4.409 5 1042 1418 1282 1288 Selective Permissive 4209 1FNL SER 149 C -8.918 5.058 -15.206 -4.633 5 1086 1448 1306 1337 Selective Permissive 4210 1FNL GLY 150 E -9.787 4.483 -16.668 -4.918 6 1151 1558 1337 1417 Selective Permissive 4211 1FNL SER 151 E -11.834 4.586 -19.575 -5.204 6 1219 1583 1380 1485 Selective Selective 4212 1FNL TYR 152 E -14.315 15.098 -19.116 -5.907 8 1269 1527 1411 1543 Selective Selective 4213 1FNL PHE 153 E -13.114 14.156 -16.946 -5.534 8 1286 1501 1378 1527 Selective Selective 4214 1FNL CYS 154 E -11.621 12.715 -16.803 -6.099 8 1168 1292 1341 1438 Selective Selective 4215 1FNL ARG 155 E -9.723 11.718 -14.305 -5.717 6 1050 1059 1274 1278 Permissive Permissive 4216 1FNL GLY 156 E -7.548 7.176 -11.407 -4.15 5 895 1065 1214 1099 Inactive Permissive 4217 1FNL LEU 157 E -6.241 7.959 -9.338 -4.055 2 825 1072 1166 944 Inactive Inactive 4218 1FNL VAL 158 E -3.873 7.195 -6.516 -4.082 2 788 1086 1121 792 Gatekeeper Inactive 4219 1FNL GLY 159 T -3.823 7.147 -6.685 -4.082 2 750 1077 1061 680 Gatekeeper Inactive 4220 1FNL SER 160 T -3.81 7.172 -6.727 -4.08 2 633 1032 1022 583 Inactive Inactive 4221 1FNL LYS 161 E -3.811 7.174 -6.722 -4.08 2 547 971 985 508 Inactive Inactive 4222 1FNL ASN 162 E -3.819 7.161 -6.69 -4.081 2 474 917 949 424 Inactive Inactive 4223 1FNL VAL 163 E -5.152 7.019 -8.667 -4.068 2 - - - - - - 4224 1FNL SER 164 E -5.989 8.42 -8.943 -4.086 2 - - - - - - 4225 1FNL SER 165 C -7.067 8.98 -11.543 -4.699 5 - - - - - - 4226 1FNL GLU 166 C -6.918 9.489 -10.883 -4.576 5 - - - - - - 4227 1FNL THR 167 C -6.556 10.762 -9.417 -4.412 4 - - - - - - 4228 1FNL VAL 168 E -6.67 11.001 -9.143 -4.357 4 - - - - - - 4229 1FNL ASN 169 E -6.678 11.158 -9.088 -4.391 4 - - - - - - 4230 1FNL ILE 170 E -6.648 11.763 -8.891 -4.482 4 - - - - - - 4231 1FNL THR 171 E -5.714 9.418 -8.517 -4.45 4 - - - - - - 4232 1FNL ILE 172 E -4.821 7.932 -7.325 -3.808 2 - - - - - - 4233 1FNL THR 173 E -4.821 7.932 -7.325 -3.808 2 - - - - - - 4234 1FNL GLN 174 C -4.821 7.932 -7.325 -3.808 2 - - - - - - 4235 1FNL ALA 175 C -4.821 7.932 -7.325 -3.808 2 - - - - - - 4236 1FP5 VAL 336 I -9.524 9.219 -11.109 -2.986 5 - - - - - - 4237 1FP5 SER 337 C -9.524 9.219 -11.109 -2.986 5 - - - - - - 4238 1FP5 ALA 338 E -9.524 9.219 -11.109 -2.986 5 - - - - - - 4239 1FP5 TYR 339 E -9.524 9.219 -11.109 -2.986 5 - - - - - - 4240 1FP5 LEU 340 E -10.925 13.202 -12.447 -4.12 7 - - - - - - 4241 1FP5 SER 341 E -12.062 12.008 -14.927 -4.246 7 - - - - - - 4242 1FP5 ARG 342 E -12.082 11.991 -14.876 -4.229 7 - - - - - - 4243 1FP5 PRO 343 C -11.76 12.474 -14.603 -4.307 7 - - - - - - 4244 1FP5 SER 344 C -11.707 12.727 -14.598 -4.344 7 - - - - - - 4245 1FP5 PRO 345 C -11.947 13.437 -14.576 -4.431 7 - - - - - - 4246 1FP5 PHE 346 H -12.033 14.423 -14.299 -4.611 7 - - - - - - 4247 1FP5 ASP 347 H -11.52 15.55 -13.25 -4.735 7 - - - - - - 4248 1FP5 LEU 348 H -9.146 14.671 -9.204 -4.225 4 1056 3900 631 1241 Selective Gatekeeper 4249 1FP5 PHE 349 H -8.191 11.967 -9.354 -3.963 4 1144 3898 648 1221 Selective Inactive 4250 1FP5 ILE 350 H -7.931 10.69 -9.735 -3.718 4 1134 3679 665 1158 Selective Inactive 4251 1FP5 ARG 351 H -7.896 10.564 -9.893 -3.722 4 1072 3273 691 1087 Selective Inactive 4252 1FP5 LYS 352 C -7.893 10.557 -9.91 -3.721 4 1003 2781 728 989 Selective Inactive 4253 1FP5 SER 353 C -7.957 10.051 -10.043 -3.662 4 1004 2854 787 894 Selective Inactive 4254 1FP5 PRO 354 C -8.361 8.972 -10.815 -3.462 5 1010 2928 834 808 Selective Inactive 4255 1FP5 THR 355 C -8.978 11.159 -11.766 -4.131 5 938 2504 897 801 Selective Inactive 4256 1FP5 ILE 356 E -9.188 12.688 -11.4 -4.313 7 840 2249 966 879 Selective Inactive 4257 1FP5 THR 357 E -9.187 12.764 -11.382 -4.33 7 817 2375 1036 929 Selective Inactive 4258 1FP5 CYS 358 E -9.285 12.832 -11.358 -4.382 7 785 2524 1102 952 Selective Inactive 4259 1FP5 LEU 359 E -9.602 12.807 -11.721 -4.476 7 843 2872 1200 957 Selective Inactive 4260 1FP5 VAL 360 E -10.022 11.539 -12.642 -3.974 7 890 3297 1283 926 Selective Permissive 4261 1FP5 VAL 361 E -8.953 8.703 -11.831 -3.666 5 802 3595 1349 872 Selective Permissive 4262 1FP5 ASP 362 E -8.404 7.586 -12.423 -3.941 5 788 3917 1418 879 Selective Permissive 4263 1FP5 LEU 363 E -5.475 3.866 -8.632 -3.031 1 846 4280 1495 926 Selective Permissive 4264 1FP5 ALA 364 T -3.416 3.949 -6.356 -3.357 1 952 4625 1528 986 Selective Permissive 4265 1FP5 PRO 365 T -2.903 3.898 -6.231 -3.381 1 1003 4746 1531 1020 Selective Permissive 4266 1FP5 SER 366 T -2.886 3.943 -6.288 -3.391 1 969 4395 1518 1029 Selective Permissive 4267 1FP5 LYS 367 C -2.823 3.996 -6.412 -3.419 1 932 4063 1499 1021 Selective Permissive 4268 1FP5 GLY 368 C -2.83 4 -6.387 -3.423 1 979 4037 1463 982 Selective Permissive 4269 1FP5 THR 369 C -3.098 4.004 -6.409 -3.434 1 980 3673 1416 912 Selective Permissive 4270 1FP5 VAL 370 C -4.057 4.642 -7.59 -3.636 1 966 3406 1364 861 Selective Permissive 4271 1FP5 ASN 371 C -4.191 4.446 -7.449 -3.615 1 909 3062 1313 830 Selective Permissive 4272 1FP5 LEU 372 E -7.126 9 -9.624 -4.221 4 778 2607 1255 820 Selective Inactive 4273 1FP5 THR 373 E -9.441 9.79 -12.469 -4.363 5 731 2231 1208 839 Gatekeeper Inactive 4274 1FP5 TRP 374 E -11.459 14.238 -14.556 -5.302 8 769 1938 1173 890 Gatekeeper Inactive 4275 1FP5 SER 375 E -9.36 7.66 -16.08 -6.118 6 723 1649 1133 853 Gatekeeper Inactive 4276 1FP5 ARG 376 E -7.321 7.265 -12.854 -5.502 3 677 1373 1087 780 Gatekeeper Inactive 4277 1FP5 ALA 377 E -4.636 3.254 -9.498 -4.24 2 605 1158 1042 696 Inactive Inactive 4278 1FP5 SER 378 T -4.516 3.443 -9.568 -4.227 2 618 1114 1023 632 Inactive Inactive 4279 1FP5 GLY 379 T -4.258 3.93 -9.277 -4.214 2 701 1192 1015 586 Inactive Inactive 4280 1FP5 LYS 380 T -4.053 4.191 -8.907 -4.066 2 704 1218 1017 559 Inactive Inactive 4281 1FP5 PRO 381 C -3.505 4.998 -7.389 -3.792 1 776 1255 1027 541 Gatekeeper Inactive 4282 1FP5 VAL 382 C -3.476 5.617 -6.961 -3.724 1 903 1211 1032 526 Permissive Inactive 4283 1FP5 ASN 383 C -3.495 5.661 -6.868 -3.71 1 1135 1183 1038 508 Permissive Inactive 4284 1FP5 HIS 384 C -3.556 5.749 -6.664 -3.656 1 1277 1085 1046 504 Permissive Inactive 4285 1FP5 SER 385 C -3.636 5.882 -6.467 -3.648 1 1320 1015 1035 495 Permissive Inactive 4286 1FP5 THR 386 C -4.467 6.957 -6.694 -3.755 2 1379 949 1018 477 Permissive Inactive 4287 1FP5 ARG 387 E -7.279 6.62 -12.429 -4.526 5 1502 889 1023 458 Permissive Inactive 4288 1FP5 LYS 388 E -7.472 6.88 -13.289 -4.964 3 1635 825 1051 530 Permissive Inactive 4289 1FP5 GLU 389 E -5.808 6.544 -10.177 -4.744 3 1703 794 1110 635 Permissive Inactive 4290 1FP5 GLU 390 E -4.151 3.835 -8.092 -3.844 2 1711 732 1188 758 Permissive Inactive 4291 1FP5 LYS 391 E -2.917 2.875 -7.44 -3.996 1 1654 672 1275 896 Permissive Inactive 4292 1FP5 GLN 392 E -2.348 3.055 -6.658 -3.774 1 1601 755 1333 1000 Permissive Permissive 4293 1FP5 ARG 393 E -2.346 3.073 -6.663 -3.774 1 1638 940 1376 1099 Permissive Permissive 4294 1FP5 ASN 394 T -2.347 3.066 -6.655 -3.772 1 1684 1349 1408 1176 Selective Permissive 4295 1FP5 GLY 395 T -2.375 3.032 -6.58 -3.765 1 1735 1746 1441 1244 Selective Selective 4296 1FP5 THR 396 T -2.639 3.159 -6.081 -3.582 1 1538 1853 1447 1290 Selective Selective 4297 1FP5 LEU 397 E -5.591 7.919 -8.209 -4.022 2 1432 2037 1431 1302 Selective Selective 4298 1FP5 THR 398 E -6.891 11.787 -12.377 -7.321 3 1436 2195 1402 1327 Selective Selective 4299 1FP5 VAL 399 E -8.246 13.541 -13.007 -7.354 7 1469 2394 1394 1362 Selective Selective 4300 1FP5 THR 400 E -9.676 14.154 -11.634 -4.68 7 1363 2460 1370 1370 Selective Selective 4301 1FP5 SER 401 E -10.319 13.719 -13.108 -4.809 7 1238 2501 1330 1335 Selective Selective 4302 1FP5 THR 402 E -9.419 13 -11.689 -4.662 7 1200 2516 1267 1270 Selective Gatekeeper 4303 1FP5 LEU 403 E -8.904 12.199 -10.724 -4.106 4 1199 2496 1219 1178 Selective Inactive 4304 1FP5 PRO 404 E -8.867 11.942 -10.905 -4.094 4 1201 2525 1172 1094 Selective Inactive 4305 1FP5 VAL 405 E -8.779 11.34 -11.334 -4.151 4 1143 2364 1167 1086 Selective Inactive 4306 1FP5 GLY 406 C -8.784 11.312 -11.33 -4.151 4 1084 2187 1192 1135 Selective Inactive 4307 1FP5 THR 407 C -8.984 10.677 -11.316 -3.96 4 956 1755 1228 1267 Selective Gatekeeper 4308 1FP5 ARG 408 H -9.649 8.615 -13.922 -4.435 5 766 1362 1257 1366 Gatekeeper Gatekeeper 4309 1FP5 ASP 409 H -8.352 11.623 -10.531 -4.691 4 702 1172 1310 1543 Inactive Selective 4310 1FP5 TRP 410 H -8.062 12.135 -10.378 -4.832 4 651 966 1401 1743 Inactive Selective 4311 1FP5 ILE 411 H -6.217 8.825 -9.643 -4.952 3 593 779 1499 1934 Inactive Selective 4312 1FP5 GLU 412 H -6.216 8.833 -9.649 -4.953 3 533 557 1580 2101 Inactive Selective 4313 1FP5 GLY 413 H -6.216 8.832 -9.648 -4.953 3 500 438 1646 2266 Inactive Selective 4314 1FP5 GLU 414 C -6.231 8.754 -9.633 -4.959 3 549 387 1692 2422 Inactive Selective 4315 1FP5 THR 415 C -6.243 8.68 -9.615 -4.959 3 534 353 1734 2557 Inactive Selective 4316 1FP5 TYR 416 E -10.015 13.468 -13.013 -5.791 7 566 400 1772 2709 Inactive Selective 4317 1FP5 GLN 417 E -12.804 14.58 -17.004 -6.206 8 567 444 1778 2796 Inactive Selective 4318 1FP5 CYS 418 E -13.261 12.318 -17.749 -5.135 8 576 472 1756 2763 Inactive Selective 4319 1FP5 ARG 419 E -12.169 14.311 -15.259 -5.166 8 578 449 1709 2627 Inactive Selective 4320 1FP5 VAL 420 E -9.027 11.93 -11.036 -4.467 5 567 450 1652 2396 Inactive Selective 4321 1FP5 THR 421 E -7.59 11.025 -9.56 -4.307 4 549 441 1605 2206 Inactive Selective 4322 1FP5 HIS 422 E -5.617 8.977 -7.154 -3.729 2 542 440 1545 1967 Inactive Selective 4323 1FP5 PRO 423 T -3.528 6.939 -4.546 -3.03 1 558 442 1462 1729 Inactive Selective 4324 1FP5 HIS 424 T -3.347 6.855 -4.819 -3.07 1 527 428 1384 1475 Inactive Selective 4325 1FP5 LEU 425 T -3.343 6.863 -4.836 -3.069 1 485 422 1284 1238 Inactive Permissive 4326 1FP5 PRO 426 T -3.341 6.865 -4.849 -3.07 1 524 419 1188 1018 Inactive Inactive 4327 1FP5 ARG 427 C -3.353 6.821 -4.802 -3.056 1 636 490 1102 805 Inactive Inactive 4328 1FP5 ALA 428 C -4.115 6.643 -5.652 -3.166 1 705 475 1006 618 Inactive Inactive 4329 1FP5 LEU 429 C -5.993 8.004 -7.806 -3.188 2 741 453 902 416 Inactive Inactive 4330 1FP5 MET 430 E -6.555 8.032 -8.625 -3.541 2 838 540 821 260 Permissive Inactive 4331 1FP5 ARG 431 E -8.755 11.937 -11.708 -4.638 5 1010 1191 744 179 Permissive Inactive 4332 1FP5 SER 432 E -8.304 11.651 -11.675 -5.183 5 1117 1812 699 145 Selective Inactive 4333 1FP5 THR 433 E -7.99 10.843 -11.607 -5.039 5 1266 2490 689 165 Selective Inactive 4334 1FP5 THR 434 E -6.747 7.876 -10.654 -4.752 3 1401 3204 711 223 Selective Inactive 4335 1FP5 LYS 435 E -6.202 6.343 -10.758 -4.548 3 1511 3943 749 258 Selective Inactive 4336 1FP5 THR 436 C -5.643 6.496 -9.738 -4.223 2 1730 4938 782 275 Selective Inactive 4337 1FP5 SER 437 C -5.597 6.397 -9.798 -4.175 2 1942 5930 816 314 Selective Inactive 4338 1FP5 GLY 438 C -5.581 6.386 -9.814 -4.155 2 2120 6801 894 358 Selective Inactive 4339 1FP5 PRO 439 C -5.657 6.24 -9.715 -4.076 2 2193 7765 971 405 Selective Inactive 4340 1FP5 ARG 440 C -5.821 6.509 -9.358 -3.966 2 2050 7910 1058 461 Selective Inactive 4341 1FP5 ALA 441 C -6.856 6.106 -10.633 -3.73 2 1994 8356 1145 518 Selective Inactive 4342 1FP5 ALA 442 B -7.548 7.049 -10.664 -3.741 4 1924 8992 1243 575 Selective Inactive 4343 1FP5 PRO 443 C -9.285 10.567 -11.101 -3.401 4 1869 9753 1333 642 Selective Permissive 4344 1FP5 GLU 444 C -9.973 11.576 -12.026 -3.805 7 1743 9659 1429 699 Selective Permissive 4345 1FP5 VAL 445 E -9.978 11.734 -11.943 -3.811 7 1664 9653 1509 736 Selective Permissive 4346 1FP5 TYR 446 E -10.589 14.197 -13.097 -4.802 7 1522 9551 1535 746 Selective Permissive 4347 1FP5 ALA 447 E -8.701 12.012 -11.904 -5.271 5 1386 9284 1502 711 Selective Permissive 4348 1FP5 PHE 448 E -8.277 11.531 -12.185 -5.373 5 1286 8943 1484 719 Selective Permissive 4349 1FP5 ALA 449 E -5.274 6.894 -7.933 -3.918 2 1040 8221 1479 770 Selective Permissive 4350 1FP5 THR 450 E -3.895 4.436 -7.28 -3.645 1 824 7407 1497 831 Selective Permissive 4351 1FP5 PRO 451 E -1.991 2.878 -6.012 -3.939 1 628 6723 1511 917 Gatekeeper Permissive 4352 1FP5 GLU 452 C -1.819 3.101 -6.239 -4.039 1 468 5822 1524 1028 Gatekeeper Permissive 4353 1FP5 TRP 453 C -1.731 2.908 -6.477 -4.035 1 414 5671 1539 1165 Gatekeeper Permissive 4354 1FP5 PRO 454 C -1.731 2.896 -6.488 -4.037 1 425 5337 1565 1321 Gatekeeper Selective 4355 1FP5 GLY 455 C -1.746 2.856 -6.458 -4.039 1 391 4627 1564 1489 Gatekeeper Selective 4356 1FP5 SER 456 C -2.377 2.77 -6.963 -3.951 1 357 3666 1545 1654 Gatekeeper Selective 4357 1FP5 ARG 457 C -2.938 1.479 -7.519 -3.686 1 303 3085 1520 1835 Gatekeeper Selective 4358 1FP5 ASP 458 C -5.002 2.839 -10.986 -4.589 3 265 2456 1474 2044 Gatekeeper Selective 4359 1FP5 LYS 459 C -6.018 4.633 -13.317 -6.068 3 225 1862 1442 2241 Gatekeeper Selective 4360 1FP5 ARG 460 C -7.961 8.037 -16.742 -8.306 6 215 1412 1409 2448 Gatekeeper Selective 4361 1FP5 THR 461 E -10.188 11.038 -18.912 -8.848 6 201 1013 1351 2650 Inactive Selective 4362 1FP5 LEU 462 E -10.946 14.759 -13.589 -5.168 7 192 730 1277 2845 Inactive Gatekeeper 4363 1FP5 ALA 463 E -10.813 13.705 -12.649 -4.28 7 183 553 1186 3018 Inactive Gatekeeper 4364 1FP5 CYS 464 E -10.53 12.8 -13.21 -4.492 7 172 366 1079 3164 Inactive Gatekeeper 4365 1FP5 LEU 465 E -10.503 12.964 -13.178 -4.497 7 171 292 986 3352 Inactive Gatekeeper 4366 1FP5 ILE 466 E -10.524 12.943 -13.146 -4.495 7 166 181 895 3545 Inactive Gatekeeper 4367 1FP5 GLN 467 E -10.701 12.196 -13.696 -4.632 7 109 50 795 3676 Inactive Gatekeeper 4368 1FP5 ASN 468 E -11.002 12.131 -14.04 -4.841 7 97 50 738 3828 Inactive Gatekeeper 4369 1FP5 PHE 469 E -12.1 16.467 -13.515 -4.826 7 68 54 724 3964 Inactive Gatekeeper 4370 1FP5 MET 470 E -11.048 14.185 -12.708 -4.759 7 79 50 726 4073 Inactive Gatekeeper 4371 1FP5 PRO 471 B -10.633 13.556 -13.052 -4.833 7 88 50 739 4130 Inactive Gatekeeper 4372 1FP5 GLU 472 T -10.288 13.57 -12.892 -4.857 7 96 48 771 4134 Inactive Gatekeeper 4373 1FP5 ASP 473 T -10.271 13.564 -12.953 -4.867 7 98 46 846 4104 Inactive Gatekeeper 4374 1FP5 ILE 474 C -10.27 13.577 -12.953 -4.869 7 114 48 936 4007 Inactive Gatekeeper 4375 1FP5 SER 475 C -10.445 13.414 -13.081 -4.914 7 130 47 1033 3889 Inactive Gatekeeper 4376 1FP5 VAL 476 E -10.724 13.642 -12.881 -4.916 7 154 70 1111 3740 Inactive Gatekeeper 4377 1FP5 GLN 477 E -12.284 14.111 -15.112 -5.26 8 189 82 1189 3554 Inactive Gatekeeper 4378 1FP5 TRP 478 E -12.505 16.264 -14.402 -5.293 8 219 94 1226 3232 Inactive Gatekeeper 4379 1FP5 LEU 479 E -7.399 8.116 -10.4 -4.302 4 222 89 1229 2851 Inactive Gatekeeper 4380 1FP5 HIS 480 E -6.422 6.522 -10.781 -4.625 3 218 81 1230 2507 Inactive Gatekeeper 4381 1FP5 ASN 481 E -6.402 6.572 -10.837 -4.629 3 214 79 1206 2130 Inactive Gatekeeper 4382 1FP5 GLU 482 T -5.963 6.903 -10.06 -4.346 2 208 77 1157 1762 Inactive Gatekeeper 4383 1FP5 VAL 483 T -5.938 6.913 -10.114 -4.34 2 194 102 1095 1414 Inactive Gatekeeper 4384 1FP5 GLN 484 E -5.921 6.823 -10.15 -4.329 2 167 113 1043 1110 Inactive Inactive 4385 1FP5 LEU 485 E -6.152 7.151 -9.833 -4.119 2 155 134 985 877 Inactive Inactive 4386 1FP5 PRO 486 C -6.15 7.124 -9.839 -4.108 2 153 151 922 680 Inactive Inactive 4387 1FP5 ASP 487 C -6.896 6.919 -11.08 -4.157 3 128 146 864 533 Inactive Inactive 4388 1FP5 ALA 488 G -7.034 6.859 -11.006 -4.146 3 114 147 821 391 Inactive Inactive 4389 1FP5 ARG 489 G -7.805 6.51 -11.964 -3.974 5 98 128 809 283 Inactive Inactive 4390 1FP5 HIS 490 G -8.155 7.18 -12.344 -4.224 5 81 213 802 212 Inactive Inactive 4391 1FP5 SER 491 E -6.623 8.274 -8.941 -3.801 2 62 312 831 214 Inactive Inactive 4392 1FP5 THR 492 E -5.627 8.432 -7.367 -3.448 2 125 538 892 272 Inactive Inactive 4393 1FP5 THR 493 E -5.18 8.238 -7.126 -3.364 2 231 811 966 376 Inactive Inactive 4394 1FP5 GLN 494 C -5.109 8.315 -7.165 -3.359 2 501 1446 1041 550 Gatekeeper Inactive 4395 1FP5 PRO 495 C -4.916 8.293 -7.049 -3.324 1 704 2021 1127 808 Gatekeeper Inactive 4396 1FP5 ARG 496 C -3.151 4.476 -6.364 -3.665 1 938 2409 1198 1124 Selective Inactive 4397 1FP5 LYS 497 E -2.797 3.584 -6.945 -3.787 1 1257 2941 1258 1477 Selective Gatekeeper 4398 1FP5 THR 498 E -2.54 3.023 -7.326 -3.915 1 1516 3396 1333 1834 Selective Selective 4399 1FP5 LYS 499 T -2.541 3.015 -7.327 -3.916 1 1713 3806 1409 2209 Selective Selective 4400 1FP5 GLY 500 T -2.544 2.988 -7.329 -3.919 1 1872 4134 1486 2594 Selective Selective 4401 1FP5 SER 501 T -2.797 2.277 -7.787 -4.008 2 1952 4212 1564 2999 Selective Selective 4402 1FP5 GLY 502 T -3.158 2.039 -7.891 -4.071 2 2032 4270 1635 3419 Selective Selective 4403 1FP5 PHE 503 C -7.358 7.236 -11.726 -4.784 3 2301 4251 1697 3901 Selective Selective 4404 1FP5 PHE 504 E -9.309 15.044 -14.215 -7.786 8 2355 4147 1761 4497 Selective Selective 4405 1FP5 VAL 505 E -10.246 15.387 -14.828 -7.841 8 2303 3919 1827 5015 Selective Selective 4406 1FP5 PHE 506 E -12.926 19.136 -14.576 -5.653 8 2219 3645 1875 5510 Selective Selective 4407 1FP5 SER 507 E -12.86 14.908 -15.649 -5.074 8 1962 3005 1928 5932 Selective Selective 4408 1FP5 ARG 508 E -11.444 13.364 -13.815 -4.796 7 1776 2427 1978 6295 Selective Selective 4409 1FP5 LEU 509 E -11.368 13.2 -14.043 -4.804 7 1587 2013 2038 6694 Selective Selective 4410 1FP5 GLU 510 E -10.314 9.649 -14.223 -4.635 6 1289 1467 2113 7107 Selective Selective 4411 1FP5 VAL 511 E -9.724 9.18 -14.015 -4.631 6 1086 991 2165 7638 Permissive Selective 4412 1FP5 THR 512 E -9.72 9.189 -14.038 -4.638 6 912 569 2196 8245 Permissive Selective 4413 1FP5 ARG 513 C -9.738 9.012 -14.105 -4.645 6 830 255 2226 8961 Permissive Selective 4414 1FP5 ALA 514 H -9.743 8.988 -14.095 -4.644 6 785 178 2232 9668 Permissive Selective 4415 1FP5 GLU 515 H -9.969 9.012 -14.019 -4.663 6 768 128 2226 10401 Inactive Selective 4416 1FP5 TRP 516 H -11.761 11.107 -16.608 -5.404 8 528 54 2202 10983 Inactive Selective 4417 1FP5 GLU 517 H -11.739 10.269 -17.271 -5.6 8 522 46 2175 11247 Inactive Selective 4418 1FP5 GLN 518 H -12.218 9.706 -18.378 -5.928 8 541 46 2117 11359 Inactive Selective 4419 1FP5 LYS 519 H -12.212 9.978 -18.19 -5.883 8 561 49 2056 11308 Inactive Selective 4420 1FP5 ASP 520 G -12.122 10.395 -17.892 -5.737 8 590 52 1997 11170 Inactive Selective 4421 1FP5 GLU 521 G -12.158 10.268 -17.824 -5.705 8 633 183 1927 10898 Inactive Selective 4422 1FP5 PHE 522 G -13.05 13.846 -16.312 -5.015 8 679 373 1864 10416 Inactive Selective 4423 1FP5 ILE 523 E -12.856 13.653 -16.005 -4.787 8 676 433 1807 9816 Inactive Selective 4424 1FP5 CYS 524 E -12.911 13.242 -16.14 -4.741 8 649 506 1767 9037 Inactive Selective 4425 1FP5 ARG 525 E -13.324 13.614 -16.219 -4.605 8 640 547 1713 8094 Inactive Selective 4426 1FP5 ALA 526 E -11.278 12.986 -13.213 -4.388 7 574 571 1662 7021 Inactive Selective 4427 1FP5 VAL 527 E -10.253 13.02 -11.951 -4.276 7 556 589 1616 5919 Inactive Selective 4428 1FP5 HIS 528 E -9.26 10.857 -11.619 -4.125 4 499 598 1555 4768 Inactive Selective 4429 1FP5 GLU 529 T -7.56 6.645 -10.58 -3.529 4 473 643 1511 3719 Inactive Selective 4430 1FP5 ALA 530 T -6.273 5.417 -8.931 -2.949 2 451 697 1452 2855 Inactive Selective 4431 1FP5 ALA 531 T -6.241 5.415 -9.086 -2.987 2 - - - - - - 4432 1FP5 SER 532 T -6.181 5.414 -9.332 -3.078 2 - - - - - - 4433 1FP5 PRO 533 T -6.18 5.405 -9.343 -3.079 2 - - - - - - 4434 1FP5 SER 534 T -6.237 5.306 -9.225 -3.037 2 - - - - - - 4435 1FP5 GLN 535 T -7.298 5.538 -11.757 -3.85 3 - - - - - - 4436 1FP5 THR 536 T -7.516 5.599 -11.671 -3.922 3 - - - - - - 4437 1FP5 VAL 537 E -9.141 7.523 -12.681 -3.97 5 - - - - - - 4438 1FP5 GLN 538 E -10.069 10.808 -13.109 -4.517 7 - - - - - - 4439 1FP5 ARG 539 E -8.167 8.434 -9.772 -3.074 4 - - - - - - 4440 1FP5 ALA 540 E -5.186 6.45 -6.029 -2.409 1 - - - - - - 4441 1FP5 VAL 541 E -5.186 6.45 -6.029 -2.409 1 - - - - - - 4442 1FP5 SER 542 C -5.186 6.45 -6.029 -2.409 1 - - - - - - 4443 1FP5 VAL 543 C -5.186 6.45 -6.029 -2.409 1 - - - - - - 4444 1FW1 LYS 5 C -6.706 11.984 -6.522 -3.314 4 - - - - - - 4445 1FW1 PRO 6 C -6.706 11.984 -6.522 -3.314 4 - - - - - - 4446 1FW1 ILE 7 E -6.706 11.984 -6.522 -3.314 4 - - - - - - 4447 1FW1 LEU 8 E -6.706 11.984 -6.522 -3.314 4 - - - - - - 4448 1FW1 TYR 9 E -10.534 18.146 -9.95 -4.66 7 - - - - - - 4449 1FW1 SER 10 E -13.447 20.201 -14.15 -5.835 8 - - - - - - 4450 1FW1 TYR 11 T -15.553 17.17 -19.323 -6.036 8 - - - - - - 4451 1FW1 PHE 12 T -14.728 14.737 -19.381 -5.981 8 - - - - - - 4452 1FW1 ARG 13 T -13.96 12.029 -19.974 -6.073 8 - - - - - - 4453 1FW1 SER 14 T -13.81 12.415 -19.856 -6.076 8 - - - - - - 4454 1FW1 SER 15 H -13.812 12.374 -19.881 -6.084 8 - - - - - - 4455 1FW1 CYS 16 H -13.813 12.387 -19.87 -6.082 8 - - - - - - 4456 1FW1 SER 17 H -13.917 12.08 -19.962 -6.103 8 4136 4004 1412 10404 Selective Selective 4457 1FW1 TRP 18 H -14.585 14.318 -19.471 -6.095 8 3818 3543 1335 9993 Selective Selective 4458 1FW1 ARG 19 H -15.471 16.876 -19.446 -5.954 8 3512 2805 1228 9369 Selective Selective 4459 1FW1 VAL 20 H -12.878 17.072 -13.46 -4.607 7 2979 2248 1118 8519 Selective Selective 4460 1FW1 ARG 21 H -12.639 16.763 -13.775 -4.607 7 2536 1845 1034 7559 Selective Gatekeeper 4461 1FW1 ILE 22 H -10.566 17.384 -9.144 -3.63 7 2077 1467 950 6516 Selective Gatekeeper 4462 1FW1 ALA 23 H -10.491 17.397 -9.444 -3.735 7 1778 1353 874 5421 Selective Gatekeeper 4463 1FW1 LEU 24 H -9.565 15.327 -10.528 -4.573 7 1468 1163 818 4425 Selective Gatekeeper 4464 1FW1 ALA 25 H -8.886 14.125 -10.519 -4.657 7 1232 1059 763 3521 Selective Gatekeeper 4465 1FW1 LEU 26 H -7.57 12.092 -9.904 -4.892 4 925 938 720 2766 Selective Gatekeeper 4466 1FW1 LYS 27 H -7.025 12.794 -9.636 -5.282 4 633 801 701 2199 Selective Gatekeeper 4467 1FW1 GLY 28 C -6.119 12.439 -8.329 -5.099 4 441 720 702 1777 Selective Gatekeeper 4468 1FW1 ILE 29 C -6.063 12.761 -8.283 -5.11 4 299 544 710 1444 Inactive Gatekeeper 4469 1FW1 ASP 30 C -6.016 12.892 -8.271 -5.096 4 237 461 740 1178 Inactive Gatekeeper 4470 1FW1 TYR 31 C -6.041 13.014 -8.173 -5.098 4 289 663 771 971 Inactive Gatekeeper 4471 1FW1 LYS 32 E -6.047 13.02 -7.98 -4.951 4 466 1015 807 811 Selective Gatekeeper 4472 1FW1 THR 33 E -6.746 14.559 -8.031 -4.732 4 689 1480 842 704 Selective Inactive 4473 1FW1 VAL 34 E -6.95 13.971 -8.098 -4.537 4 832 1941 876 607 Selective Inactive 4474 1FW1 PRO 35 E -7.247 13.683 -7.992 -4.295 4 897 2256 898 510 Selective Inactive 4475 1FW1 ILE 36 C -7.322 13.297 -8.069 -4.243 4 941 2239 893 431 Selective Inactive 4476 1FW1 ASN 37 T -6.309 7.336 -9.955 -4.448 3 975 2254 876 362 Selective Inactive 4477 1FW1 LEU 38 T -4.815 6.18 -8.639 -4.33 2 1033 2388 867 310 Selective Inactive 4478 1FW1 ILE 39 T -2.81 3.058 -7.681 -4.344 2 1096 2555 851 268 Selective Inactive 4479 1FW1 LYS 40 T -2.802 3.069 -7.733 -4.355 2 1173 2699 809 222 Selective Inactive 4480 1FW1 ASP 41 T -2.802 3.069 -7.733 -4.355 2 1233 2836 758 186 Selective Inactive 4481 1FW1 GLY 42 T -2.803 3.058 -7.727 -4.354 2 1259 2920 707 154 Selective Inactive 4482 1FW1 GLY 43 T -2.822 2.958 -7.697 -4.353 2 1243 2977 647 125 Selective Inactive 4483 1FW1 GLN 44 G -5.347 3.795 -11.296 -5.06 3 1082 2632 589 107 Selective Inactive 4484 1FW1 GLN 45 G -9.313 6.973 -15.889 -5.645 6 897 2252 530 87 Selective Inactive 4485 1FW1 PHE 46 G -8.828 11.014 -11.71 -4.672 5 672 1810 464 59 Selective Inactive 4486 1FW1 SER 47 C -8.722 10.686 -12.007 -4.645 5 527 1344 411 52 Selective Inactive 4487 1FW1 LYS 48 H -7.965 9.337 -11.641 -4.506 5 469 1046 397 68 Selective Inactive 4488 1FW1 ASP 49 H -7.954 9.395 -11.667 -4.514 5 428 1032 428 95 Selective Inactive 4489 1FW1 PHE 50 H -7.964 9.429 -11.593 -4.503 5 401 1056 471 126 Selective Inactive 4490 1FW1 GLN 51 H -8.099 8.919 -11.71 -4.475 5 342 920 522 176 Gatekeeper Inactive 4491 1FW1 ALA 52 H -8.058 8.797 -11.849 -4.494 5 286 808 577 235 Gatekeeper Inactive 4492 1FW1 LEU 53 H -9.03 9.211 -13.789 -4.89 6 189 664 653 312 Inactive Inactive 4493 1FW1 ASN 54 T -8.967 8.678 -14.286 -5.071 6 139 694 733 378 Inactive Inactive 4494 1FW1 PRO 55 T -8.652 9.153 -13.812 -5.103 6 117 733 813 433 Gatekeeper Inactive 4495 1FW1 MET 56 T -8.636 9.329 -13.75 -5.115 6 116 670 885 477 Inactive Inactive 4496 1FW1 LYS 57 T -8.858 10.017 -13.779 -5.331 6 156 700 947 519 Gatekeeper Inactive 4497 1FW1 GLN 58 C -8.948 9.837 -13.736 -5.285 6 183 720 1014 545 Gatekeeper Inactive 4498 1FW1 VAL 59 C -9.061 10.456 -13.156 -5.146 6 234 767 1084 561 Gatekeeper Permissive 4499 1FW1 PRO 60 C -10.048 13.828 -13.142 -5.183 7 286 811 1173 575 Gatekeeper Permissive 4500 1FW1 THR 61 E -10.519 17.068 -12.852 -5.47 7 284 794 1221 574 Gatekeeper Permissive 4501 1FW1 LEU 62 E -8.743 11.626 -11.702 -5.032 5 285 756 1240 562 Gatekeeper Permissive 4502 1FW1 LYS 63 E -6.244 7.955 -9.826 -4.669 3 281 689 1285 578 Inactive Permissive 4503 1FW1 ILE 64 E -3.421 8.248 -5.878 -4.521 2 328 677 1330 570 Inactive Permissive 4504 1FW1 ASP 65 T -3.338 8.114 -6.095 -4.495 2 346 621 1354 619 Inactive Permissive 4505 1FW1 GLY 66 T -3.323 8.149 -6.135 -4.493 2 396 612 1372 720 Permissive Permissive 4506 1FW1 ILE 67 E -3.323 8.149 -6.135 -4.493 2 473 450 1387 917 Permissive Selective 4507 1FW1 THR 68 E -3.327 8.151 -6.108 -4.491 2 500 326 1385 1119 Permissive Selective 4508 1FW1 ILE 69 E -4.438 7.558 -7.522 -4.309 2 567 282 1407 1390 Permissive Selective 4509 1FW1 HIS 70 E -5.496 9.439 -7.634 -4.352 2 623 210 1454 1719 Permissive Selective 4510 1FW1 GLN 71 C -8.491 11.444 -11.455 -4.666 5 682 163 1499 2109 Permissive Selective 4511 1FW1 SER 72 H -9.164 12.463 -12.387 -5 7 682 79 1546 2622 Permissive Selective 4512 1FW1 LEU 73 H -9.738 12.588 -12.724 -4.691 7 718 59 1585 3139 Permissive Selective 4513 1FW1 ALA 74 H -9.755 12.579 -12.664 -4.677 7 889 312 1656 3537 Permissive Selective 4514 1FW1 ILE 75 H -9.846 12.936 -12.278 -4.608 7 939 425 1710 3837 Permissive Selective 4515 1FW1 ILE 76 H -10.469 14.779 -11.632 -4.507 7 953 502 1718 4012 Permissive Selective 4516 1FW1 GLU 77 H -11.985 14.974 -14.236 -4.912 8 939 596 1729 4210 Permissive Selective 4517 1FW1 TYR 78 H -12.026 14.601 -15.271 -5.504 8 973 989 1731 4252 Selective Selective 4518 1FW1 LEU 79 H -11.827 13.854 -15.64 -5.544 8 927 1097 1723 4137 Selective Selective 4519 1FW1 GLU 80 H -10.739 8.67 -16.117 -5.07 6 848 1252 1681 3891 Selective Selective 4520 1FW1 GLU 81 H -7.462 6.893 -11.293 -4.192 3 844 1899 1652 3654 Selective Selective 4521 1FW1 THR 82 H -7.33 6.855 -11.427 -4.119 3 805 2601 1615 3353 Selective Selective 4522 1FW1 ARG 83 C -7.329 6.853 -11.433 -4.119 3 738 3296 1549 2991 Selective Selective 4523 1FW1 PRO 84 T -7.318 6.898 -11.453 -4.117 3 718 4094 1469 2575 Selective Selective 4524 1FW1 THR 85 T -7.319 6.91 -11.443 -4.115 3 675 4367 1375 2043 Selective Selective 4525 1FW1 PRO 86 T -8.223 6.997 -12.053 -3.852 5 593 4649 1265 1506 Selective Selective 4526 1FW1 ARG 87 T -9.596 9.77 -12.895 -4.077 5 428 4510 1157 1099 Selective Selective 4527 1FW1 LEU 88 C -9.593 10.535 -12.648 -4.195 5 383 4487 1092 825 Selective Selective 4528 1FW1 LEU 89 C -8.987 11.596 -12.328 -5.178 7 377 4463 1070 673 Selective Permissive 4529 1FW1 PRO 90 C -6.562 6.06 -10.728 -4.283 3 376 4458 1026 516 Selective Inactive 4530 1FW1 GLN 91 C -5.038 4.273 -9.695 -4.157 2 328 4067 999 450 Gatekeeper Inactive 4531 1FW1 ASP 92 C -5.036 4.277 -9.704 -4.157 2 342 3959 981 472 Gatekeeper Inactive 4532 1FW1 PRO 93 H -5.036 4.278 -9.707 -4.157 2 337 3799 1000 540 Gatekeeper Inactive 4533 1FW1 LYS 94 H -5.036 4.27 -9.705 -4.156 2 314 3152 1004 608 Gatekeeper Inactive 4534 1FW1 LYS 95 H -5.082 4.132 -9.624 -4.147 2 287 2450 998 681 Gatekeeper Inactive 4535 1FW1 ARG 96 H -8.371 5.893 -13.427 -4.135 5 279 1759 1014 773 Gatekeeper Gatekeeper 4536 1FW1 ALA 97 H -9.15 6.054 -14.153 -4.121 5 278 1019 1035 892 Gatekeeper Selective 4537 1FW1 SER 98 H -10.348 8.261 -15.336 -4.679 6 301 780 1061 1041 Gatekeeper Selective 4538 1FW1 VAL 99 H -11.706 11.998 -16.32 -5.03 8 307 512 1089 1176 Inactive Selective 4539 1FW1 ARG 100 H -11.933 11.953 -15.995 -4.719 8 361 664 1096 1243 Inactive Selective 4540 1FW1 MET 101 H -11.372 12.774 -14.705 -4.721 7 375 809 1064 1262 Selective Selective 4541 1FW1 ILE 102 H -11.163 13.967 -13.722 -4.657 7 373 953 1025 1272 Selective Gatekeeper 4542 1FW1 SER 103 H -11.087 13.753 -13.823 -4.641 7 367 1041 1012 1273 Selective Gatekeeper 4543 1FW1 ASP 104 H -9.358 11.644 -11.711 -4.375 5 379 1195 995 1243 Selective Gatekeeper 4544 1FW1 LEU 105 H -7.846 11.153 -9.93 -4.336 4 401 1411 1004 1252 Selective Gatekeeper 4545 1FW1 ILE 106 H -7.013 11.17 -9.042 -4.289 4 415 1627 1027 1277 Selective Gatekeeper 4546 1FW1 ALA 107 H -6.998 11.134 -9.151 -4.314 4 447 1813 1051 1303 Selective Selective 4547 1FW1 GLY 108 H -6.992 11.114 -9.196 -4.321 4 450 1842 1094 1337 Selective Selective 4548 1FW1 GLY 109 H -7.002 11.106 -9.165 -4.322 4 431 1839 1140 1369 Selective Selective 4549 1FW1 ILE 110 H -7.15 11.104 -8.989 -4.318 4 369 1778 1186 1371 Selective Selective 4550 1FW1 GLN 111 G -8.949 9.661 -13.612 -5.202 6 336 1742 1226 1343 Gatekeeper Selective 4551 1FW1 PRO 112 G -9.667 9.28 -14.422 -5.103 6 326 1707 1275 1310 Gatekeeper Selective 4552 1FW1 LEU 113 G -10.652 10.392 -14.498 -4.86 6 267 1441 1314 1312 Gatekeeper Selective 4553 1FW1 GLN 114 G -12.97 10.4 -19.108 -5.606 8 252 1205 1350 1303 Gatekeeper Selective 4554 1FW1 ASN 115 C -11.067 11.143 -14.556 -4.729 7 243 1008 1354 1246 Gatekeeper Selective 4555 1FW1 LEU 116 H -10.832 11.703 -15.275 -5.294 6 231 821 1331 1186 Gatekeeper Selective 4556 1FW1 SER 117 H -10.513 11.172 -15.211 -5.111 6 214 663 1316 1151 Inactive Selective 4557 1FW1 VAL 118 H -9.767 11.724 -13.45 -4.808 7 219 445 1293 1093 Inactive Selective 4558 1FW1 LEU 119 H -8.709 10.784 -12.178 -4.766 5 213 227 1255 1028 Inactive Selective 4559 1FW1 LYS 120 H -6.296 6.752 -10.327 -4.512 3 199 42 1250 1009 Inactive Selective 4560 1FW1 GLN 121 H -3.723 4.96 -7.412 -4.103 2 220 16 1231 954 Inactive Selective 4561 1FW1 VAL 122 H -3.342 5.212 -7.363 -4.152 2 255 16 1198 875 Inactive Selective 4562 1FW1 GLY 123 C -3.317 5.208 -7.473 -4.175 2 290 20 1169 794 Inactive Selective 4563 1FW1 GLU 124 H -3.315 5.216 -7.482 -4.176 2 322 18 1152 709 Inactive Permissive 4564 1FW1 GLU 125 H -3.319 5.208 -7.464 -4.174 2 333 17 1101 637 Inactive Permissive 4565 1FW1 MET 126 H -3.731 5.46 -7.528 -4.236 2 344 22 1080 579 Inactive Permissive 4566 1FW1 GLN 127 H -5.156 5.304 -10.001 -4.68 2 332 30 1065 543 Inactive Permissive 4567 1FW1 LEU 128 H -6.688 8.082 -10.512 -4.642 3 321 43 1056 525 Inactive Permissive 4568 1FW1 THR 129 H -8.198 8.592 -12.26 -4.779 5 302 50 1053 504 Inactive Permissive 4569 1FW1 TRP 130 H -10.357 12.62 -17.392 -7.508 8 293 61 1059 498 Inactive Permissive 4570 1FW1 ALA 131 H -10.768 13.146 -16.711 -6.837 8 246 65 1044 469 Inactive Permissive 4571 1FW1 GLN 132 H -11.144 11.516 -15.659 -4.876 8 228 76 1008 426 Inactive Inactive 4572 1FW1 ASN 133 H -9.502 9.676 -12.662 -4.221 5 198 77 927 331 Inactive Inactive 4573 1FW1 ALA 134 H -8.754 9.797 -11.879 -4.152 5 163 74 846 264 Inactive Inactive 4574 1FW1 ILE 135 H -8.639 10.502 -11.714 -4.226 5 127 72 763 209 Inactive Inactive 4575 1FW1 THR 136 H -8.54 10.503 -11.907 -4.322 5 92 69 703 167 Inactive Inactive 4576 1FW1 CYS 137 H -8.397 10.415 -12.046 -4.402 5 63 66 658 131 Inactive Inactive 4577 1FW1 GLY 138 H -8.483 10.623 -11.973 -4.446 5 51 63 646 100 Inactive Inactive 4578 1FW1 PHE 139 H -8.842 11.272 -12.293 -4.711 5 38 61 624 77 Inactive Inactive 4579 1FW1 ASN 140 H -8.995 10.42 -12.814 -4.763 5 42 55 624 64 Inactive Inactive 4580 1FW1 ALA 141 H -9.207 10.453 -12.761 -4.715 5 44 51 667 70 Inactive Inactive 4581 1FW1 LEU 142 H -10.278 12.702 -13.723 -4.86 7 48 54 717 96 Inactive Inactive 4582 1FW1 GLU 143 H -10.483 11.637 -14.387 -4.836 7 54 56 722 97 Inactive Inactive 4583 1FW1 GLN 144 H -9.869 10.147 -13.934 -4.525 5 55 58 699 93 Inactive Inactive 4584 1FW1 ILE 145 H -9.354 10.443 -12.988 -4.52 5 62 56 702 94 Inactive Inactive 4585 1FW1 LEU 146 H -8.841 9.823 -12.604 -4.471 5 66 60 727 100 Inactive Inactive 4586 1FW1 GLN 147 H -7.775 6.379 -12.777 -4.484 5 71 64 756 106 Inactive Inactive 4587 1FW1 SER 148 H -6.693 6.794 -10.705 -4.158 3 79 67 796 110 Inactive Inactive 4588 1FW1 THR 149 H -6.688 6.843 -10.709 -4.165 3 83 66 830 123 Inactive Inactive 4589 1FW1 ALA 150 B -6.69 6.839 -10.705 -4.165 3 88 65 849 153 Inactive Inactive 4590 1FW1 GLY 151 T -6.699 6.804 -10.68 -4.162 3 93 65 870 201 Inactive Inactive 4591 1FW1 ILE 152 T -6.783 7.001 -10.351 -4.113 2 102 65 890 253 Inactive Inactive 4592 1FW1 TYR 153 T -8.971 12.499 -12.231 -4.893 7 111 69 904 324 Inactive Inactive 4593 1FW1 CYS 154 T -8.624 9.598 -13.328 -5.124 6 107 61 870 399 Inactive Inactive 4594 1FW1 VAL 155 T -7.65 9.985 -11.001 -4.717 5 106 52 833 466 Inactive Inactive 4595 1FW1 GLY 156 B -7.536 9.743 -11.289 -4.755 5 112 46 834 588 Inactive Inactive 4596 1FW1 ASP 157 C -7.541 9.706 -11.292 -4.757 5 110 41 874 746 Inactive Gatekeeper 4597 1FW1 GLU 158 C -7.545 9.682 -11.282 -4.755 5 101 32 900 953 Inactive Gatekeeper 4598 1FW1 VAL 159 C -7.617 9.864 -10.976 -4.695 5 101 29 922 1210 Inactive Gatekeeper 4599 1FW1 THR 160 C -8.528 8.92 -12.703 -4.951 5 94 27 950 1543 Inactive Gatekeeper 4600 1FW1 MET 161 H -10.478 13.375 -14.066 -5.406 8 87 36 969 1934 Inactive Gatekeeper 4601 1FW1 ALA 162 H -11.119 14.278 -14.367 -5.229 8 83 43 988 2243 Inactive Gatekeeper 4602 1FW1 ASP 163 H -11.24 14.663 -14.2 -5.179 8 78 57 1016 2531 Inactive Gatekeeper 4603 1FW1 LEU 164 H -11.214 15.994 -12.729 -4.624 7 95 124 1032 2775 Inactive Gatekeeper 4604 1FW1 CYS 165 H -11.266 16.045 -12.58 -4.545 7 93 158 1041 2973 Inactive Selective 4605 1FW1 LEU 166 H -11.224 16.167 -12.496 -4.506 7 129 188 1054 3120 Inactive Selective 4606 1FW1 VAL 167 H -11.079 15.731 -12.617 -4.461 7 159 196 1077 3217 Inactive Selective 4607 1FW1 PRO 168 H -11.123 15.678 -12.609 -4.453 7 184 207 1100 3264 Inactive Selective 4608 1FW1 GLN 169 H -11.596 14.617 -13.931 -4.602 7 186 200 1128 3247 Inactive Selective 4609 1FW1 VAL 170 H -10.96 11.786 -14.371 -4.569 7 221 208 1134 3185 Inactive Selective 4610 1FW1 ALA 171 H -10.992 11.401 -14.532 -4.579 7 236 211 1145 3048 Inactive Selective 4611 1FW1 ASN 172 H -11.135 10.636 -14.855 -4.634 6 260 239 1157 2823 Inactive Selective 4612 1FW1 ALA 173 H -11.104 10.655 -14.894 -4.627 6 290 278 1158 2516 Inactive Selective 4613 1FW1 GLU 174 H -11.033 10.921 -14.923 -4.665 6 358 400 1182 2156 Inactive Selective 4614 1FW1 ARG 175 H -11.761 12.11 -16.058 -4.963 8 402 544 1197 1889 Permissive Selective 4615 1FW1 PHE 176 H -10.087 14.637 -11.358 -4.634 7 442 683 1218 1604 Permissive Selective 4616 1FW1 LYS 177 C -6.172 9.058 -8.121 -3.917 2 439 726 1222 1348 Selective Selective 4617 1FW1 VAL 178 C -5.346 9.368 -7.113 -3.753 2 446 842 1230 1169 Selective Selective 4618 1FW1 ASP 179 C -5.338 9.397 -7.148 -3.762 2 414 901 1235 1015 Selective Selective 4619 1FW1 LEU 180 T -5.337 9.4 -7.153 -3.763 2 423 1016 1233 884 Selective Selective 4620 1FW1 THR 181 T -5.337 9.399 -7.156 -3.763 2 427 1068 1230 786 Selective Selective 4621 1FW1 PRO 182 T -5.503 9.512 -6.846 -3.714 2 447 1161 1214 705 Selective Permissive 4622 1FW1 TYR 183 T -7.796 11.509 -10 -4.412 4 447 1177 1205 630 Selective Permissive 4623 1FW1 PRO 184 H -8.899 11.46 -11.938 -4.499 5 575 1289 1195 570 Selective Permissive 4624 1FW1 THR 185 H -9.243 11.008 -12.571 -4.608 5 580 1259 1196 547 Selective Permissive 4625 1FW1 ILE 186 H -9.997 11.893 -13.207 -4.673 7 584 1222 1184 533 Selective Permissive 4626 1FW1 SER 187 H -10.072 11.389 -13.403 -4.671 7 630 1100 1168 516 Selective Permissive 4627 1FW1 SER 188 H -10.068 11.325 -13.44 -4.665 7 633 955 1140 486 Selective Permissive 4628 1FW1 ILE 189 H -11.073 12.817 -14.434 -4.777 7 642 808 1091 464 Selective Permissive 4629 1FW1 ASN 190 H -11.408 11.525 -15.725 -4.747 8 700 704 1035 427 Selective Permissive 4630 1FW1 LYS 191 H -9.971 10.166 -13.04 -4.161 5 727 551 953 353 Permissive Inactive 4631 1FW1 ARG 192 H -9.906 10.384 -12.967 -4.129 5 784 495 873 281 Permissive Inactive 4632 1FW1 LEU 193 H -9.394 10.025 -12.595 -4.028 5 808 403 805 228 Permissive Inactive 4633 1FW1 LEU 194 H -8.628 8.457 -12.214 -3.867 5 786 354 743 185 Permissive Inactive 4634 1FW1 VAL 195 H -8.573 8.755 -12.153 -3.874 5 759 280 709 158 Permissive Inactive 4635 1FW1 LEU 196 C -8.626 8.639 -12.097 -3.853 5 726 278 694 148 Permissive Inactive 4636 1FW1 GLU 197 G -8.634 8.601 -12.087 -3.852 5 584 189 702 152 Permissive Inactive 4637 1FW1 ALA 198 G -8.739 8.375 -12.033 -3.831 5 551 240 706 169 Permissive Inactive 4638 1FW1 PHE 199 G -9.973 11.92 -11.758 -3.995 7 536 614 735 199 Permissive Inactive 4639 1FW1 GLN 200 T -11.815 13.01 -15.13 -4.757 8 - - - - - - 4640 1FW1 VAL 201 T -8.784 9.55 -11.786 -4.338 5 - - - - - - 4641 1FW1 SER 202 T -8.632 9.656 -11.971 -4.371 5 - - - - - - 4642 1FW1 HIS 203 T -8.481 10.265 -12.302 -4.709 5 - - - - - - 4643 1FW1 PRO 204 T -8.343 10.861 -12.685 -5.146 5 - - - - - - 4644 1FW1 CYS 205 T -7.679 11.112 -13.015 -6.395 6 - - - - - - 4645 1FW1 ARG 206 T -7.638 11.302 -13.245 -6.668 6 - - - - - - 4646 1FW1 GLN 207 T -5.931 9.042 -10.005 -5.463 3 - - - - - - 4647 1FW1 PRO 208 T -3.425 6.791 -5.647 -3.769 1 - - - - - - 4648 1FW1 ASP 209 T -2.843 5.838 -5.424 -3.382 1 - - - - - - 4649 1FW1 THR 210 T -2.843 5.838 -5.424 -3.382 1 - - - - - - 4650 1FW1 PRO 211 C -2.843 5.838 -5.424 -3.382 1 - - - - - - 4651 1FW1 THR 212 C -2.843 5.838 -5.424 -3.382 1 - - - - - - 4652 1G1T TRP 1 C -14.433 16.311 -17.156 -5.214 8 - - - - - - 4653 1G1T SER 2 E -14.433 16.311 -17.156 -5.214 8 - - - - - - 4654 1G1T TYR 3 E -14.433 16.311 -17.156 -5.214 8 - - - - - - 4655 1G1T ASN 4 E -14.433 16.311 -17.156 -5.214 8 - - - - - - 4656 1G1T THR 5 E -4.311 9.094 -6.69 -4.615 2 - - - - - - 4657 1G1T SER 6 E -4.287 9.073 -6.808 -4.622 2 - - - - - - 4658 1G1T THR 7 E -4.254 9.087 -6.931 -4.638 2 - - - - - - 4659 1G1T GLU 8 E -4.254 9.087 -6.931 -4.638 2 - - - - - - 4660 1G1T ALA 9 E -4.254 9.087 -6.931 -4.638 2 - - - - - - 4661 1G1T MET 10 E -5.676 9.01 -9.326 -4.862 3 - - - - - - 4662 1G1T THR 11 C -5.992 9.333 -9.102 -4.905 3 - - - - - - 4663 1G1T TYR 12 H -10.925 12.395 -15.545 -5.63 8 - - - - - - 4664 1G1T ASP 13 H -9.645 7.114 -15.114 -4.773 6 1251 143 1620 3137 Permissive Selective 4665 1G1T GLU 14 H -9.647 7.073 -15.113 -4.766 6 1612 173 1635 3108 Permissive Selective 4666 1G1T ALA 15 H -9.65 7.049 -15.104 -4.759 6 2013 226 1659 3180 Permissive Selective 4667 1G1T SER 16 H -9.7 6.616 -15.102 -4.691 6 2437 276 1699 3355 Permissive Selective 4668 1G1T ALA 17 H -9.703 6.583 -15.099 -4.687 6 2914 375 1730 3574 Permissive Selective 4669 1G1T TYR 18 H -11.995 9.892 -18.244 -5.5 8 3414 466 1744 3843 Permissive Selective 4670 1G1T CYS 19 H -11.227 9.924 -17.02 -5.598 8 3804 593 1740 4038 Permissive Selective 4671 1G1T GLN 20 H -10.058 10.763 -14.691 -5.474 6 4058 626 1716 4155 Permissive Selective 4672 1G1T GLN 21 H -10.023 10.887 -14.725 -5.476 6 4259 652 1677 4300 Permissive Selective 4673 1G1T ARG 22 H -10.023 10.931 -14.704 -5.476 6 4445 677 1633 4517 Permissive Selective 4674 1G1T TYR 23 C -10.027 11.063 -14.617 -5.473 6 4402 674 1585 4762 Permissive Selective 4675 1G1T THR 24 C -9.903 12.643 -13.447 -5.218 7 4167 628 1531 5099 Permissive Selective 4676 1G1T HIS 25 E -10.208 17.027 -10.854 -4.583 7 4034 611 1486 5532 Permissive Selective 4677 1G1T LEU 26 E -10.195 17.329 -10.612 -4.513 7 3717 623 1442 6080 Permissive Selective 4678 1G1T VAL 27 C -10.151 17.148 -10.83 -4.559 7 3372 599 1427 6479 Permissive Selective 4679 1G1T ALA 28 C -10.16 17.119 -10.804 -4.549 7 3009 550 1417 6789 Permissive Selective 4680 1G1T ILE 29 C -10.444 17.107 -11.121 -4.601 7 2600 500 1410 6991 Permissive Selective 4681 1G1T GLN 30 C -11.073 14.95 -13.785 -5.071 7 2188 407 1420 7113 Permissive Selective 4682 1G1T ASN 31 C -11.263 12.715 -15.755 -5.484 8 1716 316 1432 7140 Permissive Selective 4683 1G1T LYS 32 H -11.249 9.739 -17.467 -5.618 8 1334 190 1442 7047 Permissive Selective 4684 1G1T GLU 33 H -11.213 9.966 -17.402 -5.626 8 1077 158 1446 6842 Permissive Selective 4685 1G1T GLU 34 H -11.33 10.003 -17.31 -5.578 8 866 135 1432 6505 Inactive Selective 4686 1G1T ILE 35 H -11.286 10.689 -16.912 -5.523 8 650 111 1387 6005 Inactive Selective 4687 1G1T GLU 36 H -11.309 11.47 -16.343 -5.387 8 573 97 1353 5420 Inactive Selective 4688 1G1T TYR 37 H -11.421 13.672 -14.877 -4.966 8 517 146 1303 4734 Inactive Gatekeeper 4689 1G1T LEU 38 H -10.562 12.899 -13.201 -4.536 7 478 199 1247 3937 Inactive Gatekeeper 4690 1G1T ASN 39 H -9.514 8.97 -13.303 -4.155 5 434 305 1194 3117 Inactive Gatekeeper 4691 1G1T SER 40 H -8.868 10.246 -11.854 -4.051 5 415 411 1143 2451 Inactive Gatekeeper 4692 1G1T ILE 41 H -8.738 10.787 -11.728 -4.115 5 418 655 1104 1944 Inactive Inactive 4693 1G1T LEU 42 C -8.575 10.906 -11.738 -4.183 5 420 758 1084 1542 Inactive Inactive 4694 1G1T SER 43 C -7.977 9.548 -11.502 -4.21 5 364 805 1069 1265 Inactive Inactive 4695 1G1T TYR 44 C -7.985 9.798 -11.423 -4.258 5 348 893 1072 1089 Inactive Inactive 4696 1G1T SER 45 T -8.081 9.605 -11.476 -4.303 5 393 999 1098 1076 Inactive Inactive 4697 1G1T PRO 46 T -8.121 9.366 -11.491 -4.298 5 451 1257 1139 1178 Gatekeeper Inactive 4698 1G1T SER 47 T -8.193 9.116 -11.45 -4.284 5 556 1368 1201 1382 Gatekeeper Inactive 4699 1G1T TYR 48 T -9.758 12.866 -12.249 -5.005 7 709 1601 1274 1637 Gatekeeper Inactive 4700 1G1T TYR 49 E -12.572 18.461 -13.854 -5.335 8 753 1732 1344 1853 Gatekeeper Inactive 4701 1G1T TRP 50 E -13.049 22.073 -12.332 -5.214 7 782 1846 1418 1987 Gatekeeper Permissive 4702 1G1T ILE 51 E -12.743 19.96 -13.505 -5.323 8 790 1871 1461 2092 Gatekeeper Selective 4703 1G1T GLY 52 T -12.297 16.094 -15.132 -5.325 8 732 1793 1495 2134 Gatekeeper Selective 4704 1G1T ILE 53 E -11.447 12.926 -15.227 -5.179 8 734 1735 1487 2127 Gatekeeper Selective 4705 1G1T ARG 54 E -9.886 8.002 -15.639 -5.362 6 721 1536 1452 2038 Gatekeeper Permissive 4706 1G1T LYS 55 E -4.553 5.375 -8.898 -4.564 2 770 1485 1397 1921 Gatekeeper Permissive 4707 1G1T VAL 56 E -4.263 7.232 -8.028 -4.542 2 841 1704 1343 1757 Gatekeeper Inactive 4708 1G1T ASN 57 T -4.26 7.259 -8.033 -4.541 2 908 1878 1291 1586 Gatekeeper Inactive 4709 1G1T ASN 58 T -4.26 7.259 -8.033 -4.541 2 941 2058 1221 1382 Gatekeeper Inactive 4710 1G1T VAL 59 E -4.26 7.259 -8.032 -4.541 2 1012 2112 1140 1166 Selective Inactive 4711 1G1T TRP 60 E -4.818 10.196 -6.673 -4.502 2 999 2206 1055 921 Selective Inactive 4712 1G1T VAL 61 E -7.299 11.801 -8.891 -4.418 4 867 2042 981 656 Gatekeeper Inactive 4713 1G1T TRP 62 E -8.34 13.098 -10.129 -4.782 4 836 1958 877 432 Gatekeeper Inactive 4714 1G1T VAL 63 T -5.123 8.102 -8.073 -4.455 2 812 1850 771 286 Gatekeeper Inactive 4715 1G1T GLY 64 T -4.538 7.175 -8.158 -4.345 2 773 1794 709 176 Gatekeeper Inactive 4716 1G1T THR 65 T -4.503 7.337 -8.154 -4.336 2 755 1736 648 125 Gatekeeper Inactive 4717 1G1T GLN 66 T -4.5 7.346 -8.164 -4.335 2 732 1751 610 97 Gatekeeper Inactive 4718 1G1T LYS 67 E -4.5 7.341 -8.169 -4.335 2 709 1967 576 83 Gatekeeper Inactive 4719 1G1T PRO 68 E -4.741 6.978 -8.266 -4.274 2 646 2165 546 66 Gatekeeper Inactive 4720 1G1T LEU 69 C -6.009 9.676 -8.759 -4.246 4 581 2294 513 52 Gatekeeper Inactive 4721 1G1T THR 70 T -6.661 8.594 -10.744 -4.461 5 545 2546 467 37 Gatekeeper Inactive 4722 1G1T GLU 71 T -6.779 8.446 -10.888 -4.545 5 531 3004 431 29 Gatekeeper Inactive 4723 1G1T GLU 72 T -6.842 8.413 -10.808 -4.555 5 449 3394 413 25 Gatekeeper Inactive 4724 1G1T ALA 73 T -7.617 8.015 -12.17 -4.746 5 431 4057 399 27 Gatekeeper Inactive 4725 1G1T LYS 74 T -7.72 7.861 -12.138 -4.781 5 496 4855 396 39 Gatekeeper Inactive 4726 1G1T ASN 75 C -8.712 11.503 -12.477 -5.243 5 580 5777 405 63 Gatekeeper Inactive 4727 1G1T TRP 76 B -8.032 11.898 -10.935 -4.985 4 720 6755 421 102 Gatekeeper Inactive 4728 1G1T ALA 77 T -5.947 7.657 -9.278 -4.313 2 1164 7740 437 138 Selective Inactive 4729 1G1T PRO 78 T -5.398 6.498 -9.881 -4.512 2 1749 8857 472 187 Selective Inactive 4730 1G1T GLY 79 T -5.396 6.499 -9.897 -4.515 2 2038 9414 521 283 Selective Inactive 4731 1G1T GLU 80 T -5.397 6.485 -9.892 -4.514 2 2190 9532 609 467 Selective Inactive 4732 1G1T PRO 81 T -5.402 6.436 -9.887 -4.51 2 2305 9593 716 779 Selective Inactive 4733 1G1T ASN 82 T -5.692 5.741 -10.316 -4.648 3 2687 9415 837 1249 Selective Inactive 4734 1G1T ASN 83 C -8.038 4.751 -15.285 -5.199 6 3066 9045 967 1660 Selective Inactive 4735 1G1T ARG 84 C -6.434 4.516 -12.203 -4.771 3 3289 8330 1119 2090 Selective Gatekeeper 4736 1G1T GLN 85 T -6.412 4.554 -12.297 -4.794 3 3491 7663 1243 2449 Selective Gatekeeper 4737 1G1T LYS 86 T -6.412 4.555 -12.294 -4.795 3 3626 6800 1353 2760 Selective Selective 4738 1G1T ASP 87 T -6.416 4.562 -12.265 -4.792 3 3702 5925 1451 3008 Selective Selective 4739 1G1T GLU 88 T -6.439 4.589 -12.148 -4.782 3 3759 4957 1544 3221 Selective Selective 4740 1G1T ASP 89 C -8.358 5.59 -14.835 -5.404 6 3635 3926 1645 3387 Selective Selective 4741 1G1T CYS 90 E -10.824 7.151 -18.06 -5.978 6 3230 2911 1720 3529 Selective Selective 4742 1G1T VAL 91 E -12.462 13.91 -17.079 -5.63 8 2687 1785 1776 3619 Selective Selective 4743 1G1T GLU 92 E -12.695 15.996 -15.973 -5.457 8 2423 1161 1819 3646 Selective Selective 4744 1G1T ILE 93 E -12.725 16.341 -15.699 -5.415 8 2296 785 1809 3595 Permissive Selective 4745 1G1T TYR 94 E -12.815 17.967 -15.091 -5.49 8 2199 475 1778 3401 Permissive Selective 4746 1G1T ILE 95 T -8.606 10.722 -11.713 -4.88 5 1811 253 1720 3007 Permissive Selective 4747 1G1T LYS 96 T -7.456 8.463 -11.939 -5.043 3 1421 113 1679 2713 Permissive Selective 4748 1G1T ARG 97 T -5.536 7.275 -9.228 -4.511 2 1219 109 1624 2393 Permissive Selective 4749 1G1T GLU 98 T -4.957 6.523 -9.49 -4.659 2 1095 112 1589 2161 Permissive Selective 4750 1G1T LYS 99 T -4.955 6.527 -9.502 -4.66 2 994 135 1561 1986 Permissive Permissive 4751 1G1T ASP 100 T -4.957 6.518 -9.497 -4.66 2 945 158 1547 1900 Inactive Permissive 4752 1G1T VAL 101 T -4.964 6.498 -9.466 -4.654 2 922 195 1540 1864 Inactive Permissive 4753 1G1T GLY 102 T -5.234 6.076 -9.665 -4.749 2 1005 217 1550 1985 Permissive Permissive 4754 1G1T MET 103 E -8.359 7.654 -13.192 -5.004 5 1209 237 1600 2294 Permissive Selective 4755 1G1T TRP 104 E -11.415 13.445 -14.4 -5.203 8 1366 285 1669 2837 Permissive Selective 4756 1G1T ASN 105 E -13.597 13.088 -18.196 -5.596 8 1532 316 1726 3406 Permissive Selective 4757 1G1T ASP 106 E -13.688 9.213 -20.853 -5.947 8 1672 343 1796 3961 Permissive Selective 4758 1G1T GLU 107 E -11.122 7.655 -17.484 -5.554 6 1734 349 1858 4336 Permissive Selective 4759 1G1T ARG 108 T -9.582 7.25 -15.573 -5.326 6 1750 350 1933 4767 Permissive Selective 4760 1G1T CYS 109 T -9.483 7.579 -15.741 -5.46 6 1744 356 1981 5115 Permissive Selective 4761 1G1T SER 110 T -9.464 7.72 -15.751 -5.474 6 1664 331 2005 5431 Permissive Selective 4762 1G1T LYS 111 T -9.458 7.782 -15.749 -5.477 6 1547 293 2026 5683 Permissive Selective 4763 1G1T LYS 112 C -9.491 7.839 -15.636 -5.472 6 1446 265 2043 5882 Permissive Selective 4764 1G1T LYS 113 E -10.421 10.305 -16.459 -6.094 6 1338 245 2048 5995 Permissive Selective 4765 1G1T LEU 114 E -11.235 13.039 -15.857 -5.79 8 1228 214 2045 6046 Permissive Selective 4766 1G1T ALA 115 E -11.775 14.535 -15.509 -5.543 8 1137 225 2001 5901 Permissive Selective 4767 1G1T LEU 116 E -12.19 15.764 -15.182 -5.339 8 938 245 1935 5531 Inactive Selective 4768 1G1T CYS 117 E -12.049 13.708 -15.759 -5.168 8 806 345 1834 4935 Inactive Selective 4769 1G1T TYR 118 E -11.432 13.002 -15.19 -5.215 8 645 384 1727 4283 Inactive Selective 4770 1G1T THR 119 E -8.326 6.611 -13.427 -4.791 5 532 540 1609 3608 Inactive Selective 4771 1G1T ALA 120 C -5.928 5.54 -10.707 -4.608 3 561 736 1502 3137 Inactive Selective 4772 1G1T ALA 121 C -4.734 4.479 -9.587 -4.315 2 715 1141 1392 2657 Inactive Selective 4773 1G1T CYS 122 C -4.343 4.051 -9.801 -4.401 2 839 1436 1282 2225 Gatekeeper Gatekeeper 4774 1G1T THR 123 T -4.264 4.044 -9.925 -4.416 2 917 1612 1193 1843 Gatekeeper Inactive 4775 1G1T ASN 124 T -4.264 4.042 -9.926 -4.417 2 1006 1745 1122 1509 Selective Inactive 4776 1G1T THR 125 T -4.3 3.949 -9.881 -4.405 2 1065 1773 1043 1221 Selective Inactive 4777 1G1T SER 126 T -4.619 3.685 -10.21 -4.499 2 1097 1815 984 1009 Selective Inactive 4778 1G1T CYS 127 G -5.483 4.038 -10.883 -4.542 3 1127 1900 939 865 Selective Inactive 4779 1G1T SER 128 G -7.302 6.086 -13.923 -5.233 3 1124 1882 913 792 Selective Inactive 4780 1G1T GLY 129 G -6.792 6.47 -12.946 -5.311 3 1059 1834 893 790 Selective Inactive 4781 1G1T HIS 130 C -6.757 6.509 -12.941 -5.292 3 993 1696 909 809 Gatekeeper Inactive 4782 1G1T GLY 131 E -6.736 6.496 -13.01 -5.303 3 982 1639 928 869 Gatekeeper Inactive 4783 1G1T GLU 132 E -6.82 6.552 -12.873 -5.294 3 946 1499 958 934 Gatekeeper Inactive 4784 1G1T CYS 133 E -6.941 6.555 -12.797 -5.324 3 856 1366 980 985 Gatekeeper Inactive 4785 1G1T VAL 134 E -7.965 6.649 -14.299 -5.293 6 683 1040 988 1023 Inactive Inactive 4786 1G1T GLU 135 E -8.441 7.197 -15.121 -5.607 6 622 983 1001 1041 Inactive Inactive 4787 1G1T THR 136 E -8.583 10.315 -13.477 -5.372 6 540 1032 988 1050 Inactive Inactive 4788 1G1T ILE 137 T -8.518 10.562 -13.326 -5.36 6 449 1128 955 1035 Inactive Inactive 4789 1G1T ASN 138 T -8.562 10.602 -13.286 -5.367 6 431 1596 925 1001 Gatekeeper Inactive 4790 1G1T ASN 139 E -8.579 10.531 -13.311 -5.367 6 413 1852 889 947 Gatekeeper Inactive 4791 1G1T TYR 140 E -8.626 10.575 -13.299 -5.363 6 388 2000 856 866 Gatekeeper Inactive 4792 1G1T THR 141 E -8.405 6.532 -14.647 -5.114 6 379 2280 836 782 Gatekeeper Inactive 4793 1G1T CYS 142 E -6.791 3.735 -12.905 -4.62 3 423 2673 792 680 Gatekeeper Inactive 4794 1G1T LYS 143 E -5.138 3.349 -10.594 -4.324 2 465 2947 732 584 Gatekeeper Inactive 4795 1G1T CYS 144 E -5.075 3.766 -10.572 -4.359 2 463 3111 690 498 Gatekeeper Inactive 4796 1G1T ASP 145 T -5.071 3.797 -10.579 -4.36 2 - - - - - - 4797 1G1T PRO 146 T -5.071 3.808 -10.574 -4.36 2 - - - - - - 4798 1G1T GLY 147 T -5.102 3.821 -10.454 -4.347 2 - - - - - - 4799 1G1T PHE 148 E -6.376 7.595 -10.542 -4.665 3 - - - - - - 4800 1G1T SER 149 E -7.686 8.026 -12.699 -4.777 5 - - - - - - 4801 1G1T GLY 150 T -8.135 7.37 -14.317 -5.242 6 - - - - - - 4802 1G1T LEU 151 T -8.496 5.938 -16.52 -5.901 6 - - - - - - 4803 1G1T LYS 152 T -8.445 6.054 -16.551 -6.004 6 - - - - - - 4804 1G1T CYS 153 T -6.451 6.122 -11.389 -4.794 3 - - - - - - 4805 1G1T GLU 154 C -4.497 5.247 -7.715 -3.556 2 - - - - - - 4806 1G1T GLN 155 E -4.497 5.247 -7.715 -3.556 2 - - - - - - 4807 1G1T ILE 156 E -4.497 5.247 -7.715 -3.556 2 - - - - - - 4808 1G1T VAL 157 C -4.497 5.247 -7.715 -3.556 2 - - - - - - 4809 1G96 VAL 10 C -0.246 1.136 -4.065 -3.3 1 - - - - - - 4810 1G96 GLY 11 C -0.246 1.136 -4.065 -3.3 1 - - - - - - 4811 1G96 GLY 12 C -0.246 1.136 -4.065 -3.3 1 - - - - - - 4812 1G96 PRO 13 C -0.246 1.136 -4.065 -3.3 1 - - - - - - 4813 1G96 MET 14 E -1.632 1.921 -5.553 -3.457 1 - - - - - - 4814 1G96 ASP 15 E -2.403 2.228 -6.058 -3.69 1 - - - - - - 4815 1G96 ALA 16 C -3.911 4.115 -7.7 -4.32 2 - - - - - - 4816 1G96 SER 17 T -6.055 5.077 -11.325 -4.896 3 - - - - - - 4817 1G96 VAL 18 T -6.537 5.475 -10.821 -3.802 2 - - - - - - 4818 1G96 GLU 19 T -6.422 5.562 -10.874 -3.939 2 - - - - - - 4819 1G96 GLU 20 T -6.535 5.439 -10.853 -3.949 2 - - - - - - 4820 1G96 GLU 21 H -6.564 5.409 -10.858 -3.968 2 - - - - - - 4821 1G96 GLY 22 H -6.63 5.426 -10.875 -4.054 2 520 941 539 167 Selective Inactive 4822 1G96 VAL 23 H -7.074 6.191 -11.487 -4.513 3 366 556 496 138 Selective Inactive 4823 1G96 ARG 24 H -8.479 6.419 -10.171 -2.287 2 257 237 439 99 Inactive Inactive 4824 1G96 ARG 25 H -8.487 6.423 -10.101 -2.256 2 245 160 407 64 Inactive Inactive 4825 1G96 ALA 26 H -9.555 7.062 -11.923 -2.431 5 237 155 384 35 Inactive Inactive 4826 1G96 LEU 27 H -10.024 7.715 -13.092 -2.839 5 229 189 376 24 Inactive Inactive 4827 1G96 ASP 28 H -9.545 6.21 -12.816 -2.791 5 217 224 385 21 Inactive Inactive 4828 1G96 PHE 29 H -8.664 5.9 -12.766 -3.626 5 241 276 402 28 Inactive Inactive 4829 1G96 ALA 30 H -8.396 6.481 -12.357 -3.616 5 279 316 427 48 Inactive Inactive 4830 1G96 VAL 31 H -8.381 6.525 -12.501 -3.718 5 360 334 471 75 Permissive Inactive 4831 1G96 GLY 32 H -8.122 6.382 -13.206 -4.305 5 434 338 548 122 Permissive Inactive 4832 1G96 GLU 33 H -7.77 6.325 -12.913 -4.421 5 655 312 648 192 Permissive Inactive 4833 1G96 TYR 34 H -7.602 6.387 -13.738 -5.217 3 787 298 768 283 Permissive Inactive 4834 1G96 ASN 35 H -7.081 4.631 -13.116 -4.634 3 1034 299 889 374 Permissive Inactive 4835 1G96 LYS 36 H -5.746 2.786 -9.527 -3.071 1 1167 280 1038 445 Permissive Inactive 4836 1G96 ALA 37 H -4.67 2.781 -7.595 -2.709 1 1262 265 1189 516 Permissive Inactive 4837 1G96 SER 38 C -4.127 3.093 -7.034 -2.755 1 1420 265 1333 587 Permissive Gatekeeper 4838 1G96 ASN 39 C -2.725 3.676 -6.758 -4.126 1 1515 257 1469 657 Permissive Selective 4839 1G96 ASP 40 C -2.721 3.683 -6.769 -4.121 1 1577 223 1595 727 Permissive Selective 4840 1G96 MET 41 C -2.722 3.705 -6.763 -4.128 1 1687 184 1706 782 Permissive Selective 4841 1G96 TYR 42 C -2.741 3.736 -6.745 -4.174 1 1701 132 1794 819 Permissive Selective 4842 1G96 HIS 43 C -2.768 3.785 -6.736 -4.226 1 1670 90 1878 850 Permissive Selective 4843 1G96 SER 44 C -4.337 5.648 -7.194 -3.189 1 1589 70 1947 874 Permissive Selective 4844 1G96 ARG 45 C -3.692 6.765 -4.223 -2.278 1 1479 53 1991 881 Permissive Selective 4845 1G96 ALA 46 T -2.947 5.323 -3.42 -1.966 1 1255 44 2014 866 Permissive Selective 4846 1G96 LEU 47 T -2.372 4.91 -2.821 -1.871 1 1115 45 2028 828 Permissive Selective 4847 1G96 GLN 48 T -2.351 4.993 -2.828 -1.875 1 875 32 2041 793 Permissive Selective 4848 1G96 VAL 49 T -2.348 5.09 -2.803 -1.893 1 752 61 2016 779 Permissive Selective 4849 1G96 VAL 50 C -2.394 4.907 -2.782 -1.888 1 646 70 2004 759 Permissive Selective 4850 1G96 ARG 51 C -2.597 4.924 -2.615 -1.885 1 506 135 1998 734 Permissive Selective 4851 1G96 ALA 52 C -3.954 7.758 -4.367 -2.712 1 452 203 1981 704 Permissive Selective 4852 1G96 ARG 53 E -4.505 9.155 -5.686 -3.865 2 406 255 1953 670 Permissive Selective 4853 1G96 LYS 54 E -4.321 3.387 -9.313 -4.648 2 318 293 1919 655 Inactive Selective 4854 1G96 GLN 55 C -2.163 3.557 -4.911 -3.343 1 289 319 1911 654 Inactive Selective 4855 1G96 ILE 56 C -2.087 3.515 -4.851 -3.169 1 326 380 1893 638 Gatekeeper Selective 4856 1G96 VAL 57 C -2.085 3.524 -4.856 -3.166 1 360 441 1863 619 Selective Selective 4857 1G96 ALA 58 C -2.084 3.526 -4.856 -3.166 1 354 470 1815 586 Gatekeeper Permissive 4858 1G96 GLY 59 C -2.098 3.53 -4.743 -3.127 1 355 474 1747 556 Gatekeeper Permissive 4859 1G96 VAL 60 E -3.349 3.164 -4.256 -1.766 1 359 468 1667 523 Gatekeeper Permissive 4860 1G96 ASN 61 E -5.3 6.687 -6.53 -2.722 1 378 476 1561 480 Selective Permissive 4861 1G96 TYR 62 E -6.207 9.689 -7.551 -3.528 4 417 454 1476 437 Selective Permissive 4862 1G96 PHE 63 E -6.496 10.379 -8.322 -4.025 4 419 442 1367 399 Selective Inactive 4863 1G96 LEU 64 E -7.062 10.017 -8.441 -3.271 4 395 371 1255 369 Selective Inactive 4864 1G96 ASP 65 E -6.501 8.484 -8.228 -3.277 2 348 303 1159 340 Inactive Inactive 4865 1G96 VAL 66 E -6.541 8.231 -8.241 -3.245 2 324 256 1095 326 Inactive Inactive 4866 1G96 GLU 67 E -6.561 8.117 -8.28 -3.264 2 292 229 1046 307 Inactive Inactive 4867 1G96 LEU 68 E -6.667 7.902 -8.416 -3.344 2 268 213 992 289 Inactive Inactive 4868 1G96 GLY 69 E -6.709 7.865 -8.348 -3.346 2 208 169 960 279 Inactive Inactive 4869 1G96 ARG 70 E -8.404 8.998 -12.269 -4.412 5 165 119 956 280 Inactive Inactive 4870 1G96 THR 71 B -6.995 6.117 -11.911 -4.828 3 190 170 967 312 Inactive Inactive 4871 1G96 THR 72 C -4.597 3.17 -8.729 -3.808 2 186 329 986 336 Inactive Inactive 4872 1G96 CYS 73 C -3.919 3.119 -8.874 -4.213 2 183 521 1014 357 Gatekeeper Inactive 4873 1G96 THR 74 T -3.098 3.098 -7.642 -3.907 1 158 605 1064 381 Gatekeeper Inactive 4874 1G96 LYS 75 T -3.045 3.087 -7.661 -3.851 1 106 655 1098 409 Gatekeeper Inactive 4875 1G96 THR 76 T -3.045 3.088 -7.663 -3.851 1 107 744 1154 438 Gatekeeper Inactive 4876 1G96 GLN 77 T -3.076 3.116 -7.67 -3.899 1 112 862 1208 459 Gatekeeper Inactive 4877 1G96 PRO 78 C -2.944 2.927 -7.246 -3.616 1 118 964 1260 490 Gatekeeper Inactive 4878 1G96 ASN 79 T -3.258 2.965 -7.905 -3.818 1 117 971 1290 515 Gatekeeper Inactive 4879 1G96 LEU 80 T -3.328 2.968 -7.948 -3.9 2 117 960 1319 533 Gatekeeper Inactive 4880 1G96 ASP 81 T -3.326 2.967 -7.949 -3.895 2 117 961 1351 553 Gatekeeper Inactive 4881 1G96 ASN 82 T -3.347 2.911 -7.818 -3.824 1 116 949 1377 564 Gatekeeper Inactive 4882 1G96 CYS 83 T -3.968 3.62 -9.558 -4.915 3 108 938 1373 561 Gatekeeper Inactive 4883 1G96 PRO 84 C -5.714 3.551 -10.484 -3.795 2 71 861 1374 560 Gatekeeper Inactive 4884 1G96 PHE 85 B -6.193 4.635 -9.537 -3.327 2 68 710 1387 599 Gatekeeper Gatekeeper 4885 1G96 HIS 86 C -5.412 6.034 -7.228 -3.16 1 63 524 1408 710 Gatekeeper Gatekeeper 4886 1G96 ASP 87 C -4.194 3.114 -6.574 -2.612 1 64 453 1424 883 Gatekeeper Gatekeeper 4887 1G96 GLN 88 T -4.126 3.227 -6.643 -2.607 1 70 414 1452 1122 Gatekeeper Gatekeeper 4888 1G96 PRO 89 T -4.117 3.263 -6.689 -2.625 1 76 346 1479 1448 Gatekeeper Selective 4889 1G96 HIS 90 T -4.119 3.245 -6.683 -2.622 1 118 252 1491 1813 Inactive Selective 4890 1G96 LEU 91 T -4.187 2.925 -6.628 -2.56 1 142 165 1491 2141 Inactive Selective 4891 1G96 LYS 92 T -5.36 4.413 -7.554 -2.742 1 197 176 1493 2465 Inactive Selective 4892 1G96 ARG 93 E -6.566 6.09 -9.869 -3.867 2 286 445 1500 2790 Gatekeeper Selective 4893 1G96 LYS 94 E -9.206 8.071 -11.937 -3.644 5 364 752 1496 3152 Selective Selective 4894 1G96 ALA 95 E -10.906 10.185 -14.053 -4.27 5 415 1040 1495 3591 Selective Selective 4895 1G96 PHE 96 E -12.268 12.376 -15.812 -5.082 8 481 1605 1507 4100 Selective Selective 4896 1G96 CYS 97 E -13.412 11.626 -16.39 -3.935 8 533 1931 1505 4471 Selective Selective 4897 1G96 SER 98 E -13.917 12.15 -17.663 -4.443 8 544 2051 1504 4715 Selective Selective 4898 1G96 PHE 99 E -14.24 13.537 -16.845 -4.207 8 590 2229 1506 4834 Selective Selective 4899 1G96 GLN 100 E -14.023 14.978 -16.885 -4.876 8 596 2246 1513 4802 Selective Selective 4900 1G96 ILE 101 E -10.676 14.31 -13.538 -6.257 8 599 2282 1505 4637 Selective Selective 4901 1G96 TYR 102 E -8.614 12.667 -11.942 -6.438 7 591 2271 1523 4335 Selective Selective 4902 1G96 ALA 103 E -6.099 11.508 -8.426 -5.602 4 548 2252 1542 3976 Selective Selective 4903 1G96 VAL 104 E -3.964 5.819 -6.721 -3.851 2 521 2241 1565 3649 Selective Selective 4904 1G96 PRO 105 G -3.52 5.2 -6.2 -3.375 1 464 2225 1593 3329 Selective Selective 4905 1G96 TRP 106 G -3.291 5.255 -5.977 -3.29 1 398 1964 1616 3007 Selective Selective 4906 1G96 GLN 107 G -3.219 5.321 -5.972 -3.272 1 356 1665 1648 2636 Gatekeeper Selective 4907 1G96 GLY 108 C -3.088 5.663 -5.646 -3.199 1 - - - - - - 4908 1G96 THR 109 E -3.227 5.731 -5.388 -3.051 1 - - - - - - 4909 1G96 MET 110 E -3.436 6.3 -5.261 -3.102 1 - - - - - - 4910 1G96 THR 111 E -3.739 6.94 -5.133 -3.1 1 - - - - - - 4911 1G96 LEU 112 E -3.922 7.344 -4.878 -3.088 1 - - - - - - 4912 1G96 SER 113 E -4.965 8.322 -7.167 -3.718 2 - - - - - - 4913 1G96 LYS 114 E -5.226 7.498 -6.749 -3.167 1 - - - - - - 4914 1G96 SER 115 E -6.009 6.328 -8.213 -3.01 2 - - - - - - 4915 1G96 THR 116 E -6.231 5.453 -9.061 -3.065 2 - - - - - - 4916 1G96 CYS 117 E -5.677 4.553 -7.726 -2.488 1 - - - - - - 4917 1G96 GLN 118 E -5.677 4.553 -7.726 -2.488 1 - - - - - - 4918 1G96 ASP 119 E -5.677 4.553 -7.726 -2.488 1 - - - - - - 4919 1G96 ALA 120 C -5.677 4.553 -7.726 -2.488 1 - - - - - - 4920 1GEN LEU 461 C 1.904 0.076 -2.207 -3.178 1 - - - - - - 4921 1GEN GLY 462 C 1.904 0.076 -2.207 -3.178 1 - - - - - - 4922 1GEN PRO 463 C 1.904 0.076 -2.207 -3.178 1 - - - - - - 4923 1GEN VAL 464 C 1.904 0.076 -2.207 -3.178 1 - - - - - - 4924 1GEN THR 465 C 0.455 1.698 0.025 -1.186 1 - - - - - - 4925 1GEN PRO 466 C -1.765 4.112 -1.237 -1.168 1 - - - - - - 4926 1GEN GLU 467 T -3.404 5.448 -4.157 -2.368 1 - - - - - - 4927 1GEN ILE 468 T -4.707 9.18 -4.874 -3.251 1 - - - - - - 4928 1GEN CYS 469 T -6.62 10.936 -9.84 -5.283 4 - - - - - - 4929 1GEN LYS 470 T -6.763 10.933 -10.128 -5.485 4 - - - - - - 4930 1GEN GLN 471 T -7.394 11.372 -11.539 -6.099 3 - - - - - - 4931 1GEN ASP 472 C -8.084 11.623 -12.703 -6.272 5 - - - - - - 4932 1GEN ILE 473 C -8.368 11.127 -12.415 -5.723 5 592 1794 1090 1080 Inactive Permissive 4933 1GEN VAL 474 C -8.747 8.012 -11.983 -4.032 5 511 1246 1008 1243 Inactive Permissive 4934 1GEN PHE 475 C -10.287 14.565 -11.745 -5.053 7 391 748 932 1491 Inactive Inactive 4935 1GEN ASP 476 C -11.82 16.437 -11.865 -3.883 7 475 753 848 1736 Inactive Inactive 4936 1GEN GLY 477 E -12.303 16.384 -12.37 -3.559 7 603 968 770 1972 Inactive Gatekeeper 4937 1GEN ILE 478 E -12.45 16.647 -12.741 -3.949 7 727 1063 693 2185 Inactive Gatekeeper 4938 1GEN ALA 479 E -12.409 16.203 -12.855 -3.831 7 884 1211 632 2394 Inactive Gatekeeper 4939 1GEN GLN 480 E -11.787 12.032 -15.048 -4.616 7 1043 1819 558 2598 Inactive Gatekeeper 4940 1GEN ILE 481 E -9.955 13.437 -12.107 -5.226 7 1233 2418 505 2801 Inactive Gatekeeper 4941 1GEN ARG 482 T -9.961 13.399 -12.113 -5.241 7 1674 3419 453 2984 Selective Gatekeeper 4942 1GEN GLY 483 T -9.961 13.399 -12.113 -5.241 7 2169 4567 435 3152 Selective Gatekeeper 4943 1GEN GLU 484 E -9.962 13.402 -12.11 -5.245 7 2902 5437 424 3239 Selective Gatekeeper 4944 1GEN ILE 485 E -9.981 13.509 -11.98 -5.254 7 3636 6489 441 3270 Selective Gatekeeper 4945 1GEN PHE 486 E -13.819 17.295 -14.533 -4.45 7 4279 7343 456 3215 Selective Gatekeeper 4946 1GEN PHE 487 E -14.984 21.192 -12.972 -3.531 7 4642 8109 470 3088 Selective Gatekeeper 4947 1GEN PHE 488 E -14.961 21.456 -13.429 -3.917 7 4730 8269 499 2860 Selective Gatekeeper 4948 1GEN LYS 489 E -13.719 18.158 -10.891 -2.31 7 4630 7954 535 2624 Selective Gatekeeper 4949 1GEN ASP 490 T -13.71 18.177 -10.885 -2.288 7 4634 7867 576 2389 Selective Gatekeeper 4950 1GEN ARG 491 T -13.713 18.133 -10.863 -2.264 7 4832 8409 610 2136 Selective Gatekeeper 4951 1GEN PHE 492 E -13.725 18.041 -10.792 -2.216 7 4890 8648 660 1876 Selective Inactive 4952 1GEN ILE 493 E -13.776 17.821 -10.613 -2.106 7 4822 8377 688 1611 Selective Inactive 4953 1GEN TRP 494 E -15.279 17.877 -13.71 -2.523 7 4781 8605 710 1337 Selective Inactive 4954 1GEN ARG 495 E -12.534 9.953 -15.6 -3.947 6 4372 8197 722 1064 Selective Inactive 4955 1GEN THR 496 E -9.674 9.255 -12.349 -4.087 5 4004 7817 717 793 Selective Inactive 4956 1GEN VAL 497 T -9.24 9.083 -11.763 -3.456 5 3466 7857 702 589 Selective Inactive 4957 1GEN THR 498 T -9.076 8.994 -11.203 -2.954 5 2909 7769 685 454 Selective Inactive 4958 1GEN PRO 499 T -9.065 9.033 -11.171 -2.919 5 2409 7855 670 373 Selective Inactive 4959 1GEN ARG 500 T -8.972 8.86 -11.453 -3.025 5 2206 7755 666 332 Selective Inactive 4960 1GEN ASP 501 T -7.19 8.89 -10.384 -4.809 3 2494 8635 665 344 Selective Inactive 4961 1GEN LYS 502 C -6.865 10.546 -9.272 -4.523 4 2578 10004 639 362 Selective Inactive 4962 1GEN PRO 503 C -6.848 10.562 -9.212 -4.445 4 2596 11169 611 374 Selective Inactive 4963 1GEN MET 504 E -6.821 10.548 -9.109 -4.309 4 2352 11158 589 414 Selective Inactive 4964 1GEN GLY 505 E -6.764 10.656 -8.979 -4.19 4 2356 12220 553 489 Selective Inactive 4965 1GEN PRO 506 E -7.124 12.256 -7.781 -3.57 4 2405 12782 534 570 Selective Inactive 4966 1GEN LEU 507 E -7.734 11.434 -7.744 -2.514 4 2401 12330 528 678 Selective Inactive 4967 1GEN LEU 508 E -7.824 11.579 -7.774 -2.635 4 2421 11993 529 805 Selective Inactive 4968 1GEN VAL 509 G -7.989 12.009 -8.047 -3.031 4 2306 11414 526 960 Selective Inactive 4969 1GEN ALA 510 G -8.81 13.359 -8.622 -3.029 4 2118 10666 534 1124 Selective Inactive 4970 1GEN THR 511 G -9.173 13.131 -8.459 -2.549 4 1953 9909 526 1301 Selective Inactive 4971 1GEN PHE 512 T -10.068 12.83 -8.82 -1.975 4 1847 9237 510 1490 Selective Inactive 4972 1GEN TRP 513 T -10.763 13.382 -11.421 -3.645 7 1679 8642 504 1674 Selective Inactive 4973 1GEN PRO 514 T -10.253 12.226 -9.823 -2.338 4 1261 7572 495 1834 Gatekeeper Inactive 4974 1GEN GLU 515 T -10.389 11.603 -9.947 -2.135 4 1012 6116 527 2001 Gatekeeper Gatekeeper 4975 1GEN LEU 516 T -9.778 13.368 -10.543 -3.812 7 830 4805 570 2182 Gatekeeper Gatekeeper 4976 1GEN PRO 517 T -9.773 13.37 -10.575 -3.815 7 735 4172 621 2346 Gatekeeper Gatekeeper 4977 1GEN GLU 518 T -9.774 13.356 -10.58 -3.82 7 513 2695 673 2471 Inactive Gatekeeper 4978 1GEN LYS 519 T -9.955 14.018 -11.271 -4.692 7 365 1785 752 2653 Inactive Gatekeeper 4979 1GEN ILE 520 T -10.019 14.351 -10.975 -4.734 7 219 1407 856 2838 Inactive Gatekeeper 4980 1GEN ASP 521 C -12.501 13.602 -14.08 -3.913 7 154 1127 958 3001 Inactive Gatekeeper 4981 1GEN ALA 522 E -13.684 14.606 -13.83 -2.581 7 172 975 1071 3119 Inactive Selective 4982 1GEN VAL 523 E -13.853 16.042 -13.319 -2.616 7 313 952 1173 3185 Inactive Selective 4983 1GEN TYR 524 E -13.835 16.785 -13.357 -2.98 7 426 852 1268 3253 Inactive Selective 4984 1GEN GLU 525 E -11.071 10.171 -14.584 -4.702 6 484 663 1350 3266 Inactive Selective 4985 1GEN ALA 526 E -9.035 9.808 -13.084 -5.463 6 612 711 1403 3293 Inactive Selective 4986 1GEN PRO 527 T -9.029 9.832 -13.108 -5.46 6 742 746 1453 3306 Inactive Selective 4987 1GEN GLN 528 T -9.029 9.832 -13.109 -5.46 6 823 764 1469 3399 Inactive Selective 4988 1GEN GLU 529 T -9.029 9.832 -13.109 -5.46 6 911 824 1468 3543 Inactive Selective 4989 1GEN GLU 530 T -9.048 9.823 -13.061 -5.484 6 992 908 1459 3782 Inactive Selective 4990 1GEN LYS 531 E -11.667 12.162 -15.251 -5.16 8 1182 1274 1434 3981 Inactive Selective 4991 1GEN ALA 532 E -13.451 14.921 -14.779 -3.645 7 1346 1661 1379 3995 Permissive Selective 4992 1GEN VAL 533 E -13.501 18.703 -12.08 -3.016 7 1479 2001 1297 3926 Permissive Selective 4993 1GEN PHE 534 E -13.444 19.375 -11.378 -2.818 7 1576 2277 1230 3803 Permissive Selective 4994 1GEN PHE 535 E -10.879 12.378 -12.622 -4.264 7 1637 2313 1158 3647 Permissive Selective 4995 1GEN ALA 536 E -10.628 12.646 -13.146 -4.702 7 1731 2253 1082 3494 Permissive Selective 4996 1GEN GLY 537 T -10.628 12.636 -13.149 -4.703 7 1845 2161 1035 3287 Permissive Selective 4997 1GEN ASN 538 T -10.63 12.616 -13.16 -4.712 7 1966 2077 1021 3100 Permissive Selective 4998 1GEN GLU 539 E -10.631 12.605 -13.165 -4.719 7 2042 1965 998 2882 Permissive Selective 4999 1GEN TYR 540 E -11.254 13.192 -14.136 -5.528 8 2029 1907 972 2671 Permissive Selective 5000 1GEN TRP 541 E -15.097 18.79 -16.349 -5.026 8 1960 1878 945 2362 Permissive Gatekeeper 5001 1GEN ILE 542 E -14.875 16.015 -16.619 -4.332 8 1869 1794 897 1984 Permissive Gatekeeper 5002 1GEN TYR 543 E -13.109 9.506 -14.026 -1.923 5 1788 1744 843 1516 Permissive Inactive 5003 1GEN SER 544 E -10.55 7.879 -10.292 -1.135 5 1594 1444 808 1110 Permissive Inactive 5004 1GEN ALA 545 T -10.349 7.958 -11.513 -1.919 5 1427 1110 783 837 Permissive Inactive 5005 1GEN SER 546 T -9.51 8.908 -12.503 -3.847 5 1289 828 745 632 Inactive Inactive 5006 1GEN THR 547 E -8.514 9.196 -11.208 -3.778 5 1189 604 705 500 Inactive Inactive 5007 1GEN LEU 548 E -8.493 9.3 -11.165 -3.74 5 1095 785 678 423 Inactive Inactive 5008 1GEN GLU 549 T -8.472 9.453 -11.071 -3.713 5 848 971 678 394 Inactive Inactive 5009 1GEN ARG 550 T -7.968 9.735 -10.542 -3.882 4 613 1787 673 401 Inactive Inactive 5010 1GEN GLY 551 T -7.904 10.149 -10.557 -4.064 4 590 3506 667 408 Gatekeeper Inactive 5011 1GEN TYR 552 T -8.107 10.513 -10.412 -4.187 4 530 4997 691 422 Gatekeeper Inactive 5012 1GEN PRO 553 T -8.116 10.489 -10.418 -4.209 4 868 6606 723 445 Gatekeeper Inactive 5013 1GEN LYS 554 E -8.133 10.474 -10.453 -4.264 4 943 7580 766 485 Gatekeeper Inactive 5014 1GEN PRO 555 E -8.891 12.329 -11.13 -4.839 7 1082 8574 841 529 Gatekeeper Inactive 5015 1GEN LEU 556 G -8.809 13.611 -9.887 -4.513 7 1142 9114 929 583 Gatekeeper Inactive 5016 1GEN THR 557 G -8.679 14.099 -9.672 -4.394 4 1178 9560 1013 624 Gatekeeper Permissive 5017 1GEN SER 558 G -8.666 14.121 -9.626 -4.341 4 1225 10032 1083 674 Gatekeeper Permissive 5018 1GEN LEU 559 G -8.648 14.148 -9.518 -4.247 4 1307 10573 1168 735 Selective Permissive 5019 1GEN GLY 560 C -6.697 7.811 -8.616 -3.414 2 1434 11316 1247 787 Selective Permissive 5020 1GEN LEU 561 C -6.272 9.122 -8.051 -3.657 2 1463 11352 1289 881 Selective Permissive 5021 1GEN PRO 562 T -6.216 9.059 -8.131 -3.595 2 1528 11600 1295 979 Selective Permissive 5022 1GEN PRO 563 T -6.214 9.052 -8.136 -3.588 2 1538 10768 1304 1139 Selective Permissive 5023 1GEN ASP 564 T -6.214 9.049 -8.136 -3.59 2 1347 9037 1280 1290 Selective Permissive 5024 1GEN VAL 565 T -6.545 10.142 -7.799 -3.746 4 1218 7521 1241 1462 Gatekeeper Permissive 5025 1GEN GLN 566 C -7.598 8.648 -8.952 -2.947 4 799 5872 1219 1637 Gatekeeper Permissive 5026 1GEN ARG 567 C -9.601 7.666 -9.502 -1.24 4 759 4883 1218 1841 Gatekeeper Permissive 5027 1GEN VAL 568 C -11.886 10.74 -12.051 -1.725 7 688 3895 1217 2079 Gatekeeper Selective 5028 1GEN ASP 569 C -12.576 11.913 -14.853 -3.422 7 661 3299 1213 2309 Gatekeeper Selective 5029 1GEN ALA 570 E -12.732 12.694 -14.51 -3.459 7 677 2795 1231 2567 Inactive Selective 5030 1GEN ALA 571 E -13.092 14.721 -12.872 -2.802 7 742 2343 1250 2814 Inactive Selective 5031 1GEN PHE 572 E -14.346 17.207 -14.19 -3.357 7 793 1830 1265 3032 Inactive Selective 5032 1GEN ASN 573 E -14.493 16.649 -15.795 -4.263 8 728 1045 1268 3248 Inactive Selective 5033 1GEN TRP 574 E -13.034 11.252 -14.267 -2.933 7 779 776 1283 3311 Inactive Selective 5034 1GEN SER 575 T -10.667 6.942 -16.294 -5.099 6 921 284 1311 3344 Inactive Selective 5035 1GEN LYS 576 T -10.188 8.724 -16.022 -5.766 6 956 285 1323 3310 Inactive Selective 5036 1GEN ASN 577 T -10.188 8.725 -16.022 -5.766 6 988 343 1351 3365 Inactive Selective 5037 1GEN LYS 578 T -10.188 8.725 -16.022 -5.766 6 1017 400 1381 3472 Inactive Selective 5038 1GEN LYS 579 E -10.192 8.71 -16.036 -5.789 6 1153 682 1393 3647 Inactive Selective 5039 1GEN THR 580 E -10.537 10.169 -15.802 -6.3 6 1254 983 1381 3805 Inactive Selective 5040 1GEN TYR 581 E -13.143 20.066 -12.64 -5.024 7 1374 1392 1353 3964 Permissive Selective 5041 1GEN ILE 582 E -12.186 17.963 -11.617 -4.05 7 1467 1527 1325 4052 Permissive Selective 5042 1GEN PHE 583 E -11.564 15.688 -10.594 -2.91 7 1531 1582 1278 4027 Permissive Selective 5043 1GEN ALA 584 E -11.319 14.956 -10.431 -2.581 7 1737 1558 1247 3922 Permissive Selective 5044 1GEN GLY 585 T -11.317 14.952 -10.452 -2.589 7 1968 1498 1215 3790 Permissive Selective 5045 1GEN ASP 586 T -11.342 14.728 -10.371 -2.483 7 2294 1490 1194 3597 Permissive Selective 5046 1GEN LYS 587 E -11.471 14.075 -10.115 -2.158 7 2738 1489 1186 3484 Permissive Selective 5047 1GEN PHE 588 E -11.951 13.585 -10.201 -1.985 7 3050 1615 1176 3375 Permissive Selective 5048 1GEN TRP 589 E -14.339 16.979 -15.072 -4.592 8 3373 1755 1167 3242 Permissive Selective 5049 1GEN ARG 590 E -16.762 19.91 -18.535 -5.862 8 3369 1742 1141 3021 Permissive Selective 5050 1GEN TYR 591 E -13.957 13.124 -19.2 -6.724 8 3332 1908 1112 2712 Permissive Selective 5051 1GEN ASN 592 E -11.893 9.646 -17.041 -5.346 6 3159 1817 1048 2318 Permissive Selective 5052 1GEN GLU 593 T -11.752 9.12 -16.819 -4.865 6 3013 1647 990 1908 Permissive Selective 5053 1GEN VAL 594 T -10.856 8.005 -13.442 -2.907 5 2844 1558 937 1471 Permissive Inactive 5054 1GEN LYS 595 T -10.828 8.017 -13.655 -3.007 5 2748 1866 881 1108 Permissive Inactive 5055 1GEN LYS 596 T -10.786 7.997 -13.963 -3.174 5 2642 2177 820 841 Permissive Inactive 5056 1GEN LYS 597 E -10.579 8.116 -14.226 -3.497 5 2340 2633 755 662 Permissive Inactive 5057 1GEN MET 598 E -10.381 8.981 -13.376 -3.276 5 1993 3221 699 525 Selective Inactive 5058 1GEN ASP 599 T -9.383 9.561 -9.392 -2.019 4 1623 3976 649 464 Selective Inactive 5059 1GEN PRO 600 T -7.726 9.357 -9.496 -3.659 4 1113 4709 597 429 Gatekeeper Inactive 5060 1GEN GLY 601 T -7.653 9.799 -9.603 -3.812 4 601 4699 554 404 Gatekeeper Inactive 5061 1GEN PHE 602 T -7.655 9.802 -9.587 -3.81 4 248 5032 519 406 Gatekeeper Inactive 5062 1GEN PRO 603 C -7.657 9.8 -9.581 -3.813 4 223 5368 503 425 Gatekeeper Inactive 5063 1GEN LYS 604 E -7.682 9.811 -9.623 -3.901 4 220 5278 495 465 Gatekeeper Inactive 5064 1GEN LEU 605 E -7.274 7.877 -8.879 -3.027 4 215 5234 512 522 Gatekeeper Inactive 5065 1GEN ILE 606 G -7.232 8.386 -8.729 -3.081 4 209 5203 520 589 Gatekeeper Inactive 5066 1GEN ALA 607 G -7.224 8.431 -8.714 -3.059 4 196 4987 537 667 Gatekeeper Inactive 5067 1GEN ASP 608 G -7.217 8.48 -8.703 -3.042 4 164 4652 557 752 Gatekeeper Inactive 5068 1GEN ALA 609 C -7.21 8.568 -8.657 -3.022 4 169 4501 573 836 Gatekeeper Inactive 5069 1GEN TRP 610 T -8.177 14.239 -8.009 -3.602 4 162 4173 594 909 Gatekeeper Inactive 5070 1GEN ASN 611 T -7.7 12.632 -8.44 -4.039 4 152 3764 615 973 Gatekeeper Inactive 5071 1GEN ALA 612 T -7.69 12.701 -8.513 -4.091 4 149 3136 623 1007 Gatekeeper Inactive 5072 1GEN ILE 613 T -7.706 12.717 -8.532 -4.155 4 140 2521 665 1064 Inactive Inactive 5073 1GEN PRO 614 T -7.724 12.636 -8.629 -4.247 4 196 2658 719 1107 Inactive Inactive 5074 1GEN ASP 615 T -7.776 12.402 -8.704 -4.323 4 355 2422 785 1183 Inactive Inactive 5075 1GEN ASN 616 T -9.471 13.662 -9.547 -3.499 4 399 2152 849 1219 Inactive Inactive 5076 1GEN LEU 617 T -11.058 14.741 -10.885 -3.239 7 485 2133 916 1270 Inactive Inactive 5077 1GEN ASP 618 C -11.422 13.961 -12.76 -4.264 7 559 2095 998 1351 Inactive Permissive 5078 1GEN ALA 619 E -11.446 14.03 -12.765 -4.335 7 803 2386 1089 1475 Inactive Permissive 5079 1GEN VAL 620 E -11.496 14.267 -12.555 -4.357 7 1283 3113 1177 1595 Gatekeeper Permissive 5080 1GEN VAL 621 E -10.534 10.027 -14.717 -5.371 6 1669 3608 1241 1684 Selective Permissive 5081 1GEN ASP 622 E -9.783 9.07 -14.362 -4.933 6 1888 3727 1319 1790 Selective Permissive 5082 1GEN LEU 623 T -7.748 5.563 -10.194 -2.74 2 2091 3807 1382 1890 Selective Permissive 5083 1GEN GLN 624 T -7.648 5.302 -10.451 -2.715 2 2299 4160 1444 2071 Selective Selective 5084 1GEN GLY 625 T -7.323 4.71 -11.838 -3.576 3 2527 4853 1495 2315 Selective Selective 5085 1GEN GLY 626 T -7.325 4.691 -11.828 -3.569 3 2647 5146 1493 2525 Selective Selective 5086 1GEN GLY 627 C -7.332 4.645 -11.801 -3.556 3 2631 4995 1478 2809 Selective Selective 5087 1GEN HIS 628 E -7.719 3.908 -13.408 -4.374 5 2558 4951 1452 3027 Selective Selective 5088 1GEN SER 629 E -7.833 3.913 -13.738 -4.754 3 2552 5011 1441 3353 Selective Selective 5089 1GEN TYR 630 E -11.576 11.084 -16.254 -5.988 8 2564 5205 1420 3650 Selective Selective 5090 1GEN PHE 631 E -12.456 18.075 -12.96 -5.4 8 2539 5234 1386 3792 Selective Selective 5091 1GEN PHE 632 E -12.061 17.536 -12.75 -4.874 7 2310 4876 1331 3782 Selective Selective 5092 1GEN LYS 633 E -12.034 17.411 -12.768 -4.781 7 1877 4057 1283 3737 Selective Selective 5093 1GEN GLY 634 T -12.031 17.398 -12.771 -4.765 7 1531 3464 1245 3685 Selective Selective 5094 1GEN ALA 635 T -12.03 17.391 -12.777 -4.763 7 1400 3137 1213 3586 Selective Selective 5095 1GEN TYR 636 E -12.424 16.761 -12.619 -4.163 7 1343 2888 1186 3472 Selective Selective 5096 1GEN TYR 637 E -13.776 14.943 -13.393 -2.776 7 1141 2320 1150 3263 Inactive Selective 5097 1GEN LEU 638 E -14.793 16.139 -14.609 -2.962 7 908 1489 1111 2975 Inactive Selective 5098 1GEN LYS 639 E -14.649 13.574 -16.301 -3.462 8 785 1055 1090 2678 Inactive Selective 5099 1GEN LEU 640 E -11.937 8.359 -16.551 -4.627 6 741 922 1055 2305 Inactive Selective 5100 1GEN GLU 641 E -10.799 8.207 -16.359 -5.409 6 637 719 1031 1967 Inactive Selective 5101 1GEN ASN 642 T -10.305 9.017 -14.942 -4.721 6 584 548 988 1560 Inactive Permissive 5102 1GEN GLN 643 T -9.49 8.115 -11.383 -2.563 5 476 239 963 1166 Inactive Permissive 5103 1GEN SER 644 T -9.321 8.722 -10.731 -2.296 5 423 100 957 929 Inactive Inactive 5104 1GEN LEU 645 T -8.103 8.971 -10.004 -3.365 4 405 65 983 815 Inactive Permissive 5105 1GEN LYS 646 T -6.06 8.801 -8.342 -4.339 2 354 47 997 727 Inactive Permissive 5106 1GEN SER 647 T -6.044 8.821 -8.379 -4.314 2 312 34 1007 681 Inactive Permissive 5107 1GEN VAL 648 E -6.019 8.792 -8.334 -4.204 2 - - - - - - 5108 1GEN LYS 649 E -6.019 8.791 -8.335 -4.201 2 - - - - - - 5109 1GEN PHE 650 E -6.034 8.785 -8.295 -4.219 2 - - - - - - 5110 1GEN GLY 651 E -7.583 8.664 -8.362 -2.287 4 - - - - - - 5111 1GEN SER 652 E -7.862 8.138 -7.525 -1.589 4 - - - - - - 5112 1GEN ILE 653 H -9.658 9.082 -9.548 -1.744 4 - - - - - - 5113 1GEN LYS 654 H -10.973 9.03 -14.505 -4.126 6 - - - - - - 5114 1GEN SER 655 H -12.357 9.208 -16.925 -4.935 6 - - - - - - 5115 1GEN ASP 656 H -12.772 16.469 -14.5 -5.584 8 - - - - - - 5116 1GEN TRP 657 H -10.714 16.6 -9.394 -3.434 7 - - - - - - 5117 1GEN LEU 658 H -10.714 16.6 -9.394 -3.434 7 - - - - - - 5118 1GEN GLY 659 C -10.714 16.6 -9.394 -3.434 7 - - - - - - 5119 1GEN CYS 660 C -10.714 16.6 -9.394 -3.434 7 - - - - - - 5120 1GGZ LEU 4 C -4.778 5.253 -8.577 -3.779 2 - - - - - - 5121 1GGZ THR 5 C -4.778 5.253 -8.577 -3.779 2 - - - - - - 5122 1GGZ GLU 6 H -4.778 5.253 -8.577 -3.779 2 - - - - - - 5123 1GGZ GLU 7 H -4.778 5.253 -8.577 -3.779 2 - - - - - - 5124 1GGZ GLN 8 H -6.005 7.288 -11.062 -5.058 3 - - - - - - 5125 1GGZ VAL 9 H -6.67 8.662 -12.08 -5.778 3 - - - - - - 5126 1GGZ THR 10 H -7.077 9.255 -12.514 -6.222 3 - - - - - - 5127 1GGZ GLU 11 H -8.338 10.313 -14.583 -6.906 6 - - - - - - 5128 1GGZ PHE 12 H -9.526 11.928 -14.041 -5.518 6 - - - - - - 5129 1GGZ LYS 13 H -9.568 11.588 -13.715 -5.15 6 - - - - - - 5130 1GGZ GLU 14 H -9.581 11.184 -13.653 -4.976 6 - - - - - - 5131 1GGZ ALA 15 H -10.131 11.671 -13.77 -4.735 7 - - - - - - 5132 1GGZ PHE 16 H -10.713 11.229 -14.134 -4.281 7 1531 1236 1736 2394 Selective Selective 5133 1GGZ SER 17 H -10.589 11.323 -14.251 -4.383 7 1741 1291 1760 2408 Selective Selective 5134 1GGZ LEU 18 H -10.689 11.201 -14.523 -4.469 7 2021 1356 1746 2361 Selective Selective 5135 1GGZ PHE 19 H -9.926 11.084 -14.384 -5.486 6 2231 1393 1704 2279 Selective Selective 5136 1GGZ ASP 20 T -7.959 4.75 -14.936 -5.527 6 2472 1420 1645 2160 Selective Selective 5137 1GGZ LYS 21 T -5.614 3.162 -12.574 -5.424 3 2586 1436 1559 2022 Selective Selective 5138 1GGZ ASP 22 T -4.839 2.479 -12.077 -5.232 3 2662 1447 1492 1901 Selective Selective 5139 1GGZ GLY 23 T -4.804 2.691 -12.042 -5.216 3 2689 1455 1432 1819 Selective Permissive 5140 1GGZ ASP 24 C -4.802 2.705 -12.044 -5.216 3 2626 1378 1403 1726 Selective Permissive 5141 1GGZ GLY 25 C -4.804 2.704 -12.03 -5.214 3 2512 1266 1353 1612 Selective Permissive 5142 1GGZ CYS 26 E -4.974 2.567 -11.863 -5.144 3 2185 1120 1304 1461 Selective Inactive 5143 1GGZ ILE 27 E -6.447 6.357 -11.559 -4.963 3 1822 828 1266 1282 Selective Inactive 5144 1GGZ THR 28 C -7.961 8.952 -12.754 -4.977 5 1564 559 1229 1078 Permissive Inactive 5145 1GGZ THR 29 H -8.504 10.609 -12.567 -4.879 5 1247 244 1195 964 Inactive Inactive 5146 1GGZ ARG 30 H -8.83 10.461 -12.71 -4.648 5 1041 190 1179 943 Inactive Inactive 5147 1GGZ GLU 31 H -9.298 10.683 -13.521 -4.824 6 766 147 1195 965 Inactive Inactive 5148 1GGZ LEU 32 H -9.411 11.84 -13.458 -5.049 7 566 163 1233 995 Inactive Inactive 5149 1GGZ GLY 33 H -9.316 11.992 -14.928 -6.332 6 341 165 1238 995 Inactive Inactive 5150 1GGZ THR 34 H -9.241 12.235 -15.58 -6.988 8 237 171 1249 998 Inactive Inactive 5151 1GGZ VAL 35 H -9.262 12.362 -15.707 -7.12 8 168 190 1227 932 Inactive Inactive 5152 1GGZ MET 36 H -9.016 10.419 -15.635 -6.438 6 144 225 1156 801 Inactive Inactive 5153 1GGZ ARG 37 H -7.323 4.605 -12.951 -4.474 5 165 267 1073 670 Inactive Inactive 5154 1GGZ SER 38 H -4.103 4.006 -8.776 -4.373 2 173 298 1021 592 Inactive Inactive 5155 1GGZ LEU 39 H -3.6 5.761 -7.791 -4.423 2 204 332 988 543 Inactive Inactive 5156 1GGZ GLY 40 C -3.544 5.862 -7.883 -4.45 2 285 420 967 522 Inactive Inactive 5157 1GGZ GLN 41 C -3.525 5.946 -7.909 -4.458 2 308 445 951 527 Inactive Inactive 5158 1GGZ ASN 42 C -3.411 6.094 -7.845 -4.42 2 377 456 939 538 Inactive Inactive 5159 1GGZ PRO 43 C -3.626 7.025 -7.444 -4.43 2 403 459 933 547 Inactive Inactive 5160 1GGZ THR 44 C -4.157 6.961 -8.059 -4.387 2 403 437 931 566 Inactive Inactive 5161 1GGZ GLU 45 H -4.331 6.994 -7.813 -4.28 2 400 384 926 609 Inactive Inactive 5162 1GGZ ALA 46 H -4.407 6.783 -7.693 -4.224 2 385 341 944 697 Inactive Inactive 5163 1GGZ GLU 47 H -6.087 7.339 -10.068 -4.311 2 404 314 967 812 Inactive Inactive 5164 1GGZ LEU 48 H -6.678 7.815 -10.269 -4.44 3 472 302 1012 980 Inactive Inactive 5165 1GGZ ARG 49 H -9.663 9.787 -15.537 -5.662 6 751 408 1089 1187 Inactive Inactive 5166 1GGZ ASP 50 H -10.236 9.733 -16.452 -5.908 6 995 491 1149 1379 Inactive Inactive 5167 1GGZ MET 51 H -10.984 11.717 -17.842 -6.91 8 1165 581 1182 1561 Inactive Inactive 5168 1GGZ MET 52 H -11.272 10.428 -16.753 -5.338 6 1258 644 1190 1642 Selective Inactive 5169 1GGZ SER 53 H -10.85 9.703 -16.669 -5.276 6 1272 715 1197 1733 Selective Inactive 5170 1GGZ GLU 54 H -10.54 9.236 -16.519 -5.193 6 1307 1076 1223 1851 Selective Inactive 5171 1GGZ ILE 55 C -9.379 7.689 -14.779 -4.944 6 1286 1389 1251 1978 Selective Gatekeeper 5172 1GGZ ASP 56 T -8.143 3.384 -15.445 -5.018 6 1355 2014 1306 2146 Selective Gatekeeper 5173 1GGZ ARG 57 T -5.947 1.581 -13.325 -5.014 3 1475 2626 1362 2315 Selective Selective 5174 1GGZ ASP 58 T -4.338 2.676 -11.052 -5.23 3 1556 3308 1413 2497 Selective Selective 5175 1GGZ GLY 59 T -4.285 2.961 -11.015 -5.209 3 1571 3694 1479 2716 Selective Selective 5176 1GGZ ASN 60 C -4.283 2.974 -11.019 -5.209 3 1542 3761 1536 3005 Selective Selective 5177 1GGZ GLY 61 C -4.284 2.974 -11.013 -5.209 3 1449 3758 1571 3261 Selective Selective 5178 1GGZ THR 62 C -4.32 3.065 -10.871 -5.221 3 1141 3609 1596 3469 Gatekeeper Selective 5179 1GGZ VAL 63 E -5.718 6.042 -10.674 -4.982 3 871 3486 1615 3656 Gatekeeper Selective 5180 1GGZ ASP 64 E -7.732 7.884 -12.476 -5.088 3 691 3367 1655 3822 Gatekeeper Selective 5181 1GGZ PHE 65 H -9.562 13.317 -12.15 -4.711 7 565 3270 1690 4066 Gatekeeper Selective 5182 1GGZ PRO 66 H -9.7 13.199 -12.06 -4.595 7 472 3114 1715 4285 Gatekeeper Selective 5183 1GGZ GLU 67 H -10.348 13.108 -12.887 -4.67 7 420 2728 1734 4467 Gatekeeper Selective 5184 1GGZ PHE 68 H -11.17 15.884 -13.511 -5.152 7 411 2404 1762 4616 Gatekeeper Selective 5185 1GGZ LEU 69 H -10.767 14.256 -13.808 -5.211 7 354 1776 1763 4721 Gatekeeper Selective 5186 1GGZ GLY 70 H -10.728 13.803 -14.102 -5.221 7 382 1165 1736 4778 Gatekeeper Selective 5187 1GGZ MET 71 H -10.843 13.282 -14.458 -5.255 8 714 483 1721 4788 Inactive Selective 5188 1GGZ MET 72 H -10.84 13.233 -14.489 -5.251 8 1165 97 1670 4648 Inactive Selective 5189 1GGZ ALA 73 H -10.918 12.517 -14.735 -5.212 6 1415 31 1596 4361 Permissive Selective 5190 1GGZ ARG 74 H -11.759 10.015 -17.261 -5.128 6 1826 17 1558 4119 Permissive Selective 5191 1GGZ LYS 75 H -11.058 6.331 -17.7 -4.982 6 2173 13 1524 3894 Permissive Selective 5192 1GGZ MET 76 H -10.369 5.409 -17.319 -4.943 6 2404 12 1516 3719 Permissive Selective 5193 1GGZ LYS 77 H -9.235 4.648 -16.038 -4.857 6 2696 21 1495 3558 Permissive Selective 5194 1GGZ ASP 78 H -8.664 4.961 -15.441 -4.887 6 2946 45 1498 3419 Permissive Selective 5195 1GGZ THR 79 H -8.649 4.975 -15.503 -4.898 6 3073 57 1486 3305 Permissive Selective 5196 1GGZ ASP 80 H -8.654 4.972 -15.492 -4.901 6 3388 170 1472 3197 Permissive Selective 5197 1GGZ ASN 81 H -8.675 4.975 -15.435 -4.902 6 3466 213 1447 3107 Permissive Selective 5198 1GGZ GLU 82 H -8.913 5.202 -15.246 -4.931 6 3484 216 1430 3042 Permissive Selective 5199 1GGZ GLU 83 H -10.588 5.985 -18.001 -5.344 6 3387 219 1433 3018 Permissive Selective 5200 1GGZ GLU 84 H -11.278 7.268 -18.428 -5.451 6 3065 262 1454 3024 Permissive Selective 5201 1GGZ ILE 85 H -11.731 8.581 -17.785 -5.239 6 2762 476 1486 3113 Permissive Selective 5202 1GGZ ARG 86 H -12.756 10.074 -18.63 -5.063 8 2937 991 1553 3251 Selective Selective 5203 1GGZ GLU 87 H -11.709 10.82 -15.478 -4.449 6 2679 1293 1584 3286 Selective Selective 5204 1GGZ ALA 88 H -11.717 11.163 -15.207 -4.391 7 2498 1682 1610 3332 Selective Selective 5205 1GGZ PHE 89 H -11.749 11.245 -15.03 -4.355 7 2420 2081 1632 3325 Selective Selective 5206 1GGZ ARG 90 H -11.608 11.469 -15.162 -4.433 7 2196 2205 1646 3293 Selective Selective 5207 1GGZ VAL 91 H -11.146 11.648 -14.97 -4.673 7 2036 2390 1627 3205 Selective Selective 5208 1GGZ PHE 92 H -10.109 10.527 -14.536 -5.27 6 1970 2485 1610 3081 Selective Selective 5209 1GGZ ASP 93 T -7.582 3.59 -14.723 -5.312 6 1763 2565 1583 2959 Selective Selective 5210 1GGZ LYS 94 T -5.027 2.496 -11.878 -5.204 3 1717 2627 1561 2886 Selective Selective 5211 1GGZ ASP 95 T -4.952 2.723 -11.945 -5.215 3 1713 2706 1553 2813 Selective Selective 5212 1GGZ GLY 96 T -4.944 2.789 -11.946 -5.211 3 1677 2757 1528 2749 Selective Selective 5213 1GGZ ASN 97 C -4.944 2.788 -11.945 -5.211 3 1587 2719 1475 2638 Selective Selective 5214 1GGZ GLY 98 C -4.951 2.78 -11.913 -5.21 3 1410 2505 1436 2511 Selective Selective 5215 1GGZ PHE 99 C -6.147 4.73 -12.391 -5.252 3 1005 1989 1379 2354 Gatekeeper Selective 5216 1GGZ VAL 100 B -7.472 7.519 -12.03 -4.934 3 862 1687 1339 2241 Gatekeeper Selective 5217 1GGZ SER 101 C -9.846 9.275 -14.71 -4.573 6 706 1301 1317 2098 Gatekeeper Gatekeeper 5218 1GGZ ALA 102 H -9.964 9.341 -14.509 -4.462 6 557 904 1296 1992 Gatekeeper Gatekeeper 5219 1GGZ ALA 103 H -9.991 9.296 -14.486 -4.463 6 495 769 1292 1903 Gatekeeper Gatekeeper 5220 1GGZ GLU 104 H -10.071 9.151 -14.498 -4.495 6 406 559 1327 1835 Inactive Inactive 5221 1GGZ LEU 105 H -10.512 10.597 -14.524 -4.849 6 343 449 1375 1789 Inactive Permissive 5222 1GGZ ARG 106 H -9.868 14.825 -15.458 -8.091 8 232 256 1406 1734 Inactive Permissive 5223 1GGZ HIS 107 H -8.007 14.342 -13.052 -7.687 7 160 150 1413 1597 Inactive Permissive 5224 1GGZ VAL 108 H -7.809 13.647 -12.34 -6.758 7 103 67 1372 1412 Inactive Permissive 5225 1GGZ MET 109 H -6.467 9.698 -9.75 -4.835 4 81 12 1323 1191 Inactive Inactive 5226 1GGZ THR 110 H -4.561 7.019 -7.851 -4.344 2 74 7 1280 1004 Inactive Inactive 5227 1GGZ ARG 111 H -3.432 6.341 -6.657 -4.104 2 78 7 1225 834 Inactive Inactive 5228 1GGZ LEU 112 H -3.252 6.633 -6.76 -4.207 2 61 7 1177 696 Inactive Inactive 5229 1GGZ GLY 113 C -3.246 6.633 -6.795 -4.212 2 82 6 1131 571 Inactive Inactive 5230 1GGZ GLU 114 C -3.248 6.622 -6.787 -4.211 2 86 3 1054 470 Inactive Inactive 5231 1GGZ LYS 115 C -3.314 6.583 -6.668 -4.195 2 92 0 970 373 Inactive Inactive 5232 1GGZ LEU 116 C -4.025 7.396 -7.159 -4.488 2 109 0 892 295 Inactive Inactive 5233 1GGZ SER 117 C -5.914 6.597 -10.551 -4.749 3 155 1 800 235 Inactive Inactive 5234 1GGZ ASP 118 H -7.246 6.937 -12.825 -4.862 3 179 2 705 174 Inactive Inactive 5235 1GGZ GLU 119 H -7.556 6.625 -13.123 -4.828 3 197 2 625 121 Inactive Inactive 5236 1GGZ GLU 120 H -8.213 7.295 -13.674 -4.92 5 248 6 561 94 Inactive Inactive 5237 1GGZ VAL 121 H -8.273 7.302 -13.435 -4.852 5 334 11 528 89 Inactive Inactive 5238 1GGZ ASP 122 H -9.34 7.856 -15.147 -5.271 6 667 110 533 108 Inactive Inactive 5239 1GGZ GLU 123 H -9.971 8.806 -15.019 -4.653 6 984 237 542 121 Inactive Inactive 5240 1GGZ MET 124 H -9.998 9.869 -13.718 -4.056 5 1214 384 544 134 Inactive Inactive 5241 1GGZ ILE 125 H -9.818 9.774 -13.403 -3.874 5 1431 676 564 157 Selective Inactive 5242 1GGZ ARG 126 H -9.583 9.013 -13.761 -3.97 5 1618 893 599 243 Selective Inactive 5243 1GGZ ALA 127 H -9.498 8.715 -14.048 -4.068 5 1861 1230 659 446 Selective Inactive 5244 1GGZ ALA 128 H -8.908 6.816 -14.729 -4.763 6 2150 1412 752 781 Selective Inactive 5245 1GGZ ASP 129 T -8.213 4.575 -15.525 -5.247 6 2527 1754 833 1181 Selective Inactive 5246 1GGZ THR 130 T -6.266 2.889 -13.55 -5.373 3 2770 1996 930 1534 Selective Inactive 5247 1GGZ ASP 131 T -6.006 3.355 -13.516 -5.452 3 3023 2308 1025 1847 Selective Inactive 5248 1GGZ GLY 132 T -5.927 3.86 -13.308 -5.411 3 3172 2526 1140 2137 Selective Gatekeeper 5249 1GGZ ASP 133 C -5.929 3.851 -13.301 -5.412 3 3235 2590 1249 2406 Selective Gatekeeper 5250 1GGZ GLY 134 C -5.938 3.852 -13.263 -5.412 3 3260 2661 1339 2676 Selective Selective 5251 1GGZ GLN 135 C -6.416 5.121 -13.002 -5.456 3 - - - - - - 5252 1GGZ VAL 136 B -7.154 7.383 -11.875 -5.119 3 - - - - - - 5253 1GGZ ASN 137 C -10.787 9.505 -16.209 -5.564 6 - - - - - - 5254 1GGZ TYR 138 H -12.418 13.661 -16.802 -5.745 8 - - - - - - 5255 1GGZ GLU 139 H -12.762 14.398 -18.519 -6.736 8 - - - - - - 5256 1GGZ GLU 140 H -11.794 14.711 -16.197 -6.476 8 - - - - - - 5257 1GGZ PHE 141 H -8.758 12.452 -11.043 -4.926 7 - - - - - - 5258 1GGZ VAL 142 H -6.448 6.852 -9.801 -3.949 2 - - - - - - 5259 1GGZ ARG 143 H -5.715 5.728 -9.301 -3.518 2 - - - - - - 5260 1GGZ VAL 144 H -3.341 4.242 -5.215 -2.415 1 - - - - - - 5261 1GGZ LEU 145 H -3.341 4.242 -5.215 -2.415 1 - - - - - - 5262 1GGZ VAL 146 C -3.341 4.242 -5.215 -2.415 1 - - - - - - 5263 1GGZ SER 147 C -3.341 4.242 -5.215 -2.415 1 - - - - - - 5264 1GH2 VAL 2 C -3.76 4.507 -8.029 -3.826 2 - - - - - - 5265 1GH2 GLY 3 C -3.76 4.507 -8.029 -3.826 2 - - - - - - 5266 1GH2 VAL 4 C -3.76 4.507 -8.029 -3.826 2 - - - - - - 5267 1GH2 LYS 5 E -3.76 4.507 -8.029 -3.826 2 - - - - - - 5268 1GH2 PRO 6 E -4.2 4.761 -8.481 -4.168 2 - - - - - - 5269 1GH2 VAL 7 E -5.827 7.748 -10.85 -5.339 3 - - - - - - 5270 1GH2 GLY 8 C -6.029 6.886 -11.707 -5.511 3 - - - - - - 5271 1GH2 SER 9 C -6.807 4.16 -12.472 -4.476 3 - - - - - - 5272 1GH2 ASP 10 G -6.817 4.076 -12.408 -4.429 3 - - - - - - 5273 1GH2 PRO 11 G -6.814 4.115 -12.405 -4.429 3 - - - - - - 5274 1GH2 ASP 12 G -6.821 4.088 -12.381 -4.429 3 - - - - - - 5275 1GH2 PHE 13 H -9.477 10.272 -13.371 -4.585 5 - - - - - - 5276 1GH2 GLN 14 H -9.525 10.291 -13.287 -4.584 5 418 7004 402 65 Gatekeeper Inactive 5277 1GH2 PRO 15 H -9.383 10.157 -13.302 -4.597 5 379 6394 398 54 Gatekeeper Inactive 5278 1GH2 GLU 16 H -9.742 10.67 -13.879 -4.835 6 353 5222 432 57 Gatekeeper Inactive 5279 1GH2 LEU 17 H -8.851 8.18 -13.538 -4.601 5 425 4567 451 59 Gatekeeper Inactive 5280 1GH2 SER 18 H -7.879 4.567 -13.867 -4.394 5 554 3985 491 67 Gatekeeper Inactive 5281 1GH2 GLY 19 H -7.757 4.575 -13.894 -4.328 5 658 3330 557 94 Gatekeeper Inactive 5282 1GH2 ALA 20 T -7.764 4.498 -13.898 -4.316 5 742 3022 640 132 Gatekeeper Inactive 5283 1GH2 GLY 21 T -7.769 4.438 -13.899 -4.309 5 767 2648 735 182 Gatekeeper Inactive 5284 1GH2 SER 22 T -7.849 3.996 -13.962 -4.275 5 820 2262 854 246 Permissive Inactive 5285 1GH2 ARG 23 T -8.713 4.96 -14.013 -4.041 5 931 1893 972 329 Permissive Inactive 5286 1GH2 LEU 24 E -10.332 10.405 -13.726 -4.059 7 1139 1815 1089 415 Permissive Inactive 5287 1GH2 ALA 25 E -11.082 13.65 -13.304 -4.063 7 1266 1969 1198 479 Permissive Permissive 5288 1GH2 VAL 26 E -11.395 17.309 -12.011 -4.169 7 1304 1924 1296 536 Permissive Permissive 5289 1GH2 VAL 27 E -11.554 18.74 -11.832 -4.5 7 1290 1801 1351 578 Permissive Permissive 5290 1GH2 LYS 28 E -11.558 18.762 -12.115 -4.727 7 1204 1553 1394 610 Permissive Permissive 5291 1GH2 PHE 29 E -8.617 11.855 -11.281 -4.98 5 1212 1755 1388 626 Permissive Permissive 5292 1GH2 THR 30 E -6.598 5.692 -11.961 -4.935 3 1144 1961 1410 648 Permissive Permissive 5293 1GH2 MET 31 T -4.881 3.638 -10.683 -4.773 3 1043 2431 1396 661 Permissive Permissive 5294 1GH2 ARG 32 T -4.575 3.677 -10.44 -4.558 2 974 3236 1375 670 Selective Permissive 5295 1GH2 GLY 33 T -4.571 3.683 -10.459 -4.561 2 946 4130 1356 692 Selective Permissive 5296 1GH2 CYS 34 T -4.571 3.677 -10.463 -4.561 2 929 4509 1341 710 Selective Selective 5297 1GH2 GLY 35 H -4.586 3.633 -10.422 -4.543 2 900 4768 1341 738 Selective Selective 5298 1GH2 PRO 36 H -5.092 3.788 -10.165 -4.242 2 804 4796 1351 778 Selective Selective 5299 1GH2 CYS 37 H -7.063 5.433 -12.669 -4.344 3 660 4636 1361 823 Gatekeeper Selective 5300 1GH2 LEU 38 H -7.206 6.307 -11.633 -3.78 3 630 4534 1351 871 Gatekeeper Selective 5301 1GH2 ARG 39 H -7.225 6.819 -11.162 -3.627 3 639 4487 1336 927 Gatekeeper Selective 5302 1GH2 ILE 40 H -7.835 9.229 -10.433 -3.346 4 655 4586 1352 1003 Gatekeeper Selective 5303 1GH2 ALA 41 H -7.847 9.22 -10.394 -3.339 4 645 4535 1392 1103 Gatekeeper Selective 5304 1GH2 PRO 42 H -7.909 9.186 -10.221 -3.275 4 614 4357 1453 1246 Gatekeeper Selective 5305 1GH2 ALA 43 H -8.494 10.487 -10.18 -3.41 4 603 3966 1495 1408 Gatekeeper Selective 5306 1GH2 PHE 44 H -9.694 13.538 -10.957 -3.925 7 588 3383 1545 1598 Gatekeeper Selective 5307 1GH2 SER 45 H -10.448 11.541 -13.04 -3.959 7 651 2591 1559 1762 Gatekeeper Selective 5308 1GH2 SER 46 H -10.874 10.06 -15.551 -4.699 6 623 1715 1552 1886 Inactive Selective 5309 1GH2 MET 47 H -11.148 9.31 -16.763 -5.245 6 627 1354 1526 2004 Inactive Selective 5310 1GH2 SER 48 H -10.828 9.097 -16.717 -5.251 6 604 1098 1484 2108 Inactive Selective 5311 1GH2 ASN 49 H -10.566 8.714 -16.754 -5.226 6 585 1013 1443 2181 Inactive Selective 5312 1GH2 LYS 50 H -9.902 10.253 -14.49 -4.979 6 517 885 1421 2261 Inactive Selective 5313 1GH2 TYR 51 T -9.791 11.047 -13.848 -4.833 6 415 746 1403 2370 Inactive Selective 5314 1GH2 PRO 52 T -9.608 11.801 -13.221 -4.671 7 377 739 1387 2489 Inactive Selective 5315 1GH2 GLN 53 T -9.637 12.01 -13.021 -4.637 7 443 580 1369 2544 Inactive Selective 5316 1GH2 ALA 54 T -9.676 12.401 -12.707 -4.594 7 552 594 1341 2576 Inactive Selective 5317 1GH2 VAL 55 E -10.053 13.806 -11.964 -4.353 7 667 605 1325 2577 Inactive Selective 5318 1GH2 PHE 56 E -10.34 14.259 -11.596 -4.27 7 698 682 1306 2526 Inactive Selective 5319 1GH2 LEU 57 E -11.671 18.122 -12.665 -4.736 7 673 678 1281 2446 Inactive Selective 5320 1GH2 GLU 58 E -10.952 14.281 -13.657 -5.028 7 586 656 1278 2372 Inactive Selective 5321 1GH2 VAL 59 E -10.106 11.344 -13.66 -4.769 7 587 733 1239 2265 Inactive Selective 5322 1GH2 ASP 60 E -9.639 9.997 -14.215 -4.93 6 633 906 1204 2129 Inactive Selective 5323 1GH2 VAL 61 T -9.254 8.96 -14.339 -4.842 6 684 1054 1156 1976 Inactive Selective 5324 1GH2 HIS 62 T -8.839 7.253 -14.963 -4.994 6 759 1282 1109 1801 Inactive Gatekeeper 5325 1GH2 GLN 63 T -8.839 7.132 -15.04 -5.003 6 810 1563 1049 1616 Permissive Gatekeeper 5326 1GH2 CYS 64 T -8.836 6.842 -15.236 -5.031 6 827 1732 999 1416 Permissive Gatekeeper 5327 1GH2 GLN 65 H -8.191 6.494 -13.72 -4.575 5 851 2066 955 1204 Permissive Gatekeeper 5328 1GH2 GLY 66 H -6.965 5.723 -11.711 -4.207 3 897 2507 913 1049 Permissive Gatekeeper 5329 1GH2 THR 67 H -6.965 5.76 -11.674 -4.192 3 799 2680 880 904 Gatekeeper Gatekeeper 5330 1GH2 ALA 68 H -6.872 5.573 -11.94 -4.213 3 699 2852 851 768 Gatekeeper Gatekeeper 5331 1GH2 ALA 69 H -6.726 5.654 -12.031 -4.262 3 708 3042 830 696 Gatekeeper Inactive 5332 1GH2 THR 70 H -6.705 5.648 -12.071 -4.283 3 903 3589 845 628 Selective Inactive 5333 1GH2 ASN 71 C -7.126 5.76 -12.963 -4.48 5 1141 4207 828 590 Selective Inactive 5334 1GH2 ASN 72 C -5.668 7.42 -9.231 -4.305 2 1292 4581 874 600 Selective Inactive 5335 1GH2 ILE 73 C -5.656 7.597 -9.157 -4.294 2 1441 4739 938 618 Selective Inactive 5336 1GH2 SER 74 C -5.676 7.668 -9.044 -4.29 2 1551 4907 980 625 Selective Inactive 5337 1GH2 ALA 75 T -5.686 7.694 -8.978 -4.285 2 1653 4978 1025 650 Selective Inactive 5338 1GH2 THR 76 T -5.692 7.709 -8.927 -4.28 2 1713 4911 1047 656 Selective Inactive 5339 1GH2 PRO 77 T -7.538 10.596 -9.601 -4.097 4 1767 4899 1089 673 Selective Inactive 5340 1GH2 THR 78 E -9.079 10.819 -11.991 -4.609 5 1816 4651 1127 700 Selective Gatekeeper 5341 1GH2 PHE 79 E -11.48 15.945 -12.648 -4.819 7 1901 4568 1174 755 Selective Selective 5342 1GH2 GLN 80 E -13.979 17.799 -16.304 -5.705 8 2059 4374 1206 790 Selective Selective 5343 1GH2 PHE 81 E -14.395 19.122 -16.19 -5.602 8 2097 4249 1188 769 Selective Selective 5344 1GH2 PHE 82 E -11.118 12.299 -14.362 -5.052 7 2052 3988 1144 701 Selective Gatekeeper 5345 1GH2 ARG 83 E -9.974 9.629 -14.637 -5.088 6 1862 3391 1057 634 Selective Inactive 5346 1GH2 ASN 84 T -8.161 8.722 -12.153 -4.726 5 1616 2723 993 546 Selective Inactive 5347 1GH2 LYS 85 T -8.131 8.743 -12.251 -4.731 5 1439 2263 908 461 Permissive Inactive 5348 1GH2 VAL 86 E -8.123 8.733 -12.301 -4.734 5 1251 2011 809 402 Permissive Inactive 5349 1GH2 ARG 87 E -8.127 8.711 -12.288 -4.732 5 1115 1781 748 360 Permissive Inactive 5350 1GH2 ILE 88 E -8.149 8.696 -12.197 -4.719 5 948 1530 679 323 Permissive Inactive 5351 1GH2 ASP 89 E -9.766 8.974 -14.62 -4.891 6 864 1409 643 301 Permissive Inactive 5352 1GH2 GLN 90 E -10.512 8.954 -16.04 -5.167 6 832 1316 610 293 Permissive Inactive 5353 1GH2 TYR 91 E -10.24 10.725 -14.86 -5.364 6 732 1184 584 289 Inactive Inactive 5354 1GH2 GLN 92 E -8.302 7.923 -12.791 -4.763 5 503 795 568 259 Inactive Inactive 5355 1GH2 GLY 93 C -6.339 5.884 -10.334 -4.003 2 326 734 553 239 Inactive Inactive 5356 1GH2 ALA 94 C -5.456 5.794 -9.614 -4.048 2 267 610 567 247 Inactive Inactive 5357 1GH2 ASP 95 C -5.44 5.853 -9.652 -4.055 2 256 595 608 267 Inactive Inactive 5358 1GH2 ALA 96 H -5.44 5.857 -9.655 -4.055 2 - - - - - - 5359 1GH2 VAL 97 H -5.444 5.844 -9.634 -4.051 2 - - - - - - 5360 1GH2 GLY 98 H -5.586 5.853 -9.469 -4.071 2 - - - - - - 5361 1GH2 LEU 99 H -7.56 8.156 -11.245 -4.354 5 - - - - - - 5362 1GH2 GLU 100 H -9.216 9.714 -13.783 -5.059 6 - - - - - - 5363 1GH2 GLU 101 H -9.819 8.908 -14.746 -5.24 6 - - - - - - 5364 1GH2 LYS 102 H -12.532 13.168 -18.253 -6.466 8 - - - - - - 5365 1GH2 ILE 103 H -11.396 14.733 -15.489 -6.532 8 - - - - - - 5366 1GH2 LYS 104 H -9.994 10.906 -14.827 -5.79 6 - - - - - - 5367 1GH2 GLN 105 H -8.287 9.17 -11.897 -4.569 5 - - - - - - 5368 1GH2 HIS 106 H -8.287 9.17 -11.897 -4.569 5 - - - - - - 5369 1GH2 LEU 107 H -8.287 9.17 -11.897 -4.569 5 - - - - - - 5370 1GH2 GLU 108 C -8.287 9.17 -11.897 -4.569 5 - - - - - - 5371 1GLO LEU 1 C -5.092 3.897 -8.25 -2.797 1 - - - - - - 5372 1GLO PRO 2 T -5.092 3.897 -8.25 -2.797 1 - - - - - - 5373 1GLO ASP 3 T -5.092 3.897 -8.25 -2.797 1 - - - - - - 5374 1GLO SER 4 T -5.092 3.897 -8.25 -2.797 1 - - - - - - 5375 1GLO VAL 5 E -6.825 5.768 -10.132 -3.364 2 - - - - - - 5376 1GLO ASP 6 E -9.176 7.908 -13.974 -4.701 5 - - - - - - 5377 1GLO TRP 7 G -10.121 11.146 -14.456 -5.136 6 - - - - - - 5378 1GLO ARG 8 G -8.413 7.816 -13.78 -5.333 6 - - - - - - 5379 1GLO GLU 9 G -7.56 8.669 -12.065 -5.005 5 - - - - - - 5380 1GLO LYS 10 G -7.532 8.766 -12.11 -5.017 5 - - - - - - 5381 1GLO GLY 11 C -7.18 8.866 -11.842 -5.007 3 - - - - - - 5382 1GLO CYS 12 C -6.824 9.873 -10.737 -4.809 3 - - - - - - 5383 1GLO VAL 13 C -6.817 10.139 -10.577 -4.79 4 632 214 936 420 Inactive Inactive 5384 1GLO THR 14 C -6.916 10.576 -10.384 -4.789 4 604 193 1002 471 Inactive Inactive 5385 1GLO GLU 15 C -6.925 10.573 -10.344 -4.782 4 545 191 1095 540 Inactive Inactive 5386 1GLO VAL 16 C -7.131 11.224 -9.854 -4.694 4 550 403 1184 635 Inactive Inactive 5387 1GLO LYS 17 C -7.976 11.629 -11.265 -5.086 4 559 551 1288 770 Inactive Inactive 5388 1GLO TYR 18 B -8.155 10.132 -12.358 -5.152 5 582 713 1392 930 Inactive Permissive 5389 1GLO GLN 19 T -7.919 5.107 -14.7 -5.226 6 620 963 1479 1168 Inactive Permissive 5390 1GLO GLY 20 T -6.869 4.542 -12.763 -4.58 3 588 1221 1555 1442 Gatekeeper Permissive 5391 1GLO SER 21 T -6.861 4.558 -12.792 -4.58 3 632 1400 1589 1698 Gatekeeper Selective 5392 1GLO CYS 22 T -6.861 4.556 -12.79 -4.579 3 643 1528 1607 1948 Gatekeeper Selective 5393 1GLO GLY 23 T -6.885 4.444 -12.735 -4.555 3 643 1564 1601 2236 Gatekeeper Selective 5394 1GLO ALA 24 H -6.968 4.462 -12.413 -4.451 3 615 1567 1559 2538 Gatekeeper Selective 5395 1GLO SER 25 H -9.373 5.976 -14.862 -4.571 6 614 1567 1544 2894 Gatekeeper Selective 5396 1GLO TRP 26 H -11.811 12.723 -14.903 -4.674 7 628 1605 1515 3288 Gatekeeper Selective 5397 1GLO ALA 27 H -11.578 14.086 -13.968 -4.534 7 616 1589 1474 3685 Gatekeeper Selective 5398 1GLO PHE 28 H -11.288 15.477 -12.956 -4.715 7 612 1566 1418 4007 Gatekeeper Selective 5399 1GLO SER 29 H -10.91 13.473 -13.497 -4.502 7 539 1354 1364 4278 Gatekeeper Selective 5400 1GLO ALA 30 H -10.25 13.706 -11.957 -4.086 7 502 1206 1324 4482 Gatekeeper Selective 5401 1GLO VAL 31 H -10.24 13.708 -12.003 -4.096 7 452 1045 1300 4608 Inactive Gatekeeper 5402 1GLO GLY 32 H -10.245 13.583 -12.072 -4.104 7 361 795 1282 4635 Inactive Gatekeeper 5403 1GLO ALA 33 H -10.327 13.359 -11.935 -3.999 7 254 536 1275 4560 Inactive Gatekeeper 5404 1GLO LEU 34 H -10.445 13.79 -11.461 -3.938 7 189 355 1309 4460 Inactive Selective 5405 1GLO GLU 35 H -12.057 13.34 -15.073 -4.707 8 144 225 1332 4326 Inactive Selective 5406 1GLO ALA 36 H -12.308 12.947 -15.302 -4.77 8 115 163 1357 4097 Inactive Selective 5407 1GLO GLN 37 H -13.587 15.882 -19.03 -6.875 8 97 109 1383 3789 Inactive Selective 5408 1GLO LEU 38 H -10.121 11.764 -13.436 -5.045 7 87 82 1434 3425 Inactive Selective 5409 1GLO LYS 39 H -6.743 8.025 -11.057 -5.126 3 57 19 1486 3053 Inactive Selective 5410 1GLO LEU 40 H -5.314 6.963 -9.408 -4.674 2 77 20 1520 2695 Inactive Selective 5411 1GLO LYS 41 H -4.795 7.683 -8.698 -4.639 2 101 11 1541 2448 Inactive Selective 5412 1GLO THR 42 H -4.316 8.023 -7.885 -4.479 2 130 13 1565 2304 Inactive Selective 5413 1GLO GLY 43 C -4.272 8.1 -7.944 -4.492 2 139 14 1575 2203 Inactive Selective 5414 1GLO LYS 44 C -4.28 8.111 -7.898 -4.482 2 146 15 1581 2233 Inactive Selective 5415 1GLO LEU 45 C -4.383 8.346 -7.641 -4.454 2 171 20 1594 2346 Inactive Selective 5416 1GLO VAL 46 C -4.587 8.405 -7.413 -4.387 2 184 22 1629 2571 Inactive Selective 5417 1GLO SER 47 C -5.824 9.209 -8.726 -4.663 4 212 24 1635 2906 Inactive Selective 5418 1GLO LEU 48 B -8.028 13.286 -9.335 -4.553 4 237 26 1673 3351 Inactive Selective 5419 1GLO SER 49 C -9.874 14.21 -11.744 -4.84 7 267 29 1727 3861 Inactive Selective 5420 1GLO ALA 50 H -11.197 13.694 -13.499 -4.692 7 269 31 1791 4378 Inactive Selective 5421 1GLO GLN 51 H -12.845 13.622 -17.476 -5.475 8 274 38 1822 4838 Inactive Selective 5422 1GLO ASN 52 H -12.975 13.397 -17.877 -5.528 8 285 40 1857 5156 Inactive Selective 5423 1GLO LEU 53 H -12.594 13.295 -16.974 -5.336 8 364 107 1870 5306 Inactive Selective 5424 1GLO VAL 54 H -11.916 10.44 -17.062 -5.125 8 488 277 1870 5321 Inactive Selective 5425 1GLO ASP 55 H -10.226 6.947 -16.431 -5.234 6 828 666 1850 5184 Permissive Selective 5426 1GLO CYS 56 H -6.913 6.309 -11.854 -4.872 3 1238 1251 1825 5018 Selective Selective 5427 1GLO SER 57 C -6.869 6.467 -11.912 -4.873 3 1731 2067 1791 4774 Selective Selective 5428 1GLO THR 58 C -5.582 7.326 -9.741 -4.757 3 1934 2733 1751 4473 Selective Selective 5429 1GLO GLU 59 G -5.563 7.349 -9.828 -4.778 3 2195 3390 1685 4120 Selective Selective 5430 1GLO LYS 60 G -5.562 7.351 -9.831 -4.779 3 2394 3975 1619 3673 Selective Selective 5431 1GLO TYR 61 G -5.626 7.47 -9.605 -4.769 3 2600 4519 1527 3126 Selective Selective 5432 1GLO GLY 62 C -5.627 7.448 -9.612 -4.771 3 2909 5288 1454 2565 Selective Selective 5433 1GLO ASN 63 C -7.41 7.353 -13.277 -5.394 3 3154 5827 1377 2063 Selective Selective 5434 1GLO LYS 64 C -6.371 3.67 -12.692 -4.853 3 3270 6088 1336 1677 Selective Selective 5435 1GLO GLY 65 G -5.47 4.08 -11.8 -5.037 3 3407 6610 1334 1513 Selective Selective 5436 1GLO CYS 66 G -5.366 4.301 -11.809 -5.032 3 3409 6812 1366 1487 Selective Permissive 5437 1GLO ASN 67 G -5.343 4.473 -11.79 -5.042 3 3375 6857 1409 1529 Selective Selective 5438 1GLO GLY 68 C -5.336 4.546 -11.78 -5.047 3 3044 6509 1465 1659 Selective Selective 5439 1GLO GLY 69 C -5.44 4.773 -11.627 -5.091 3 2643 5949 1537 1781 Selective Selective 5440 1GLO PHE 70 C -6.25 6.448 -11.838 -5.098 3 2232 5169 1590 1898 Selective Selective 5441 1GLO MET 71 H -6.986 8.887 -11.795 -5.333 3 2141 4551 1625 2001 Selective Selective 5442 1GLO THR 72 H -7.673 9.929 -12.087 -5.413 5 1973 3942 1670 2109 Selective Selective 5443 1GLO THR 73 H -8.481 10.682 -12.272 -5.31 5 1864 3428 1715 2306 Selective Selective 5444 1GLO ALA 74 H -10.331 12.627 -13.571 -5.056 7 1794 3041 1777 2608 Selective Selective 5445 1GLO PHE 75 H -11.383 16.156 -13.395 -5.289 7 1716 2499 1807 2870 Selective Selective 5446 1GLO GLN 76 H -12.168 15.246 -14.767 -5.218 8 1580 2038 1839 3091 Selective Selective 5447 1GLO TYR 77 H -13.167 15.756 -16.265 -5.302 8 1585 1908 1832 3175 Selective Selective 5448 1GLO ILE 78 H -9.979 8.949 -14.272 -4.748 6 1533 1426 1774 3108 Selective Selective 5449 1GLO ILE 79 H -8.873 6.722 -14.654 -5.01 6 1445 1269 1706 2988 Selective Selective 5450 1GLO ASP 80 H -8.513 7.277 -14.345 -5.066 6 1362 1211 1625 2847 Selective Selective 5451 1GLO ASN 81 H -8.506 7.303 -14.366 -5.069 6 1332 1212 1541 2663 Selective Selective 5452 1GLO LYS 82 C -8.5 7.325 -14.383 -5.069 6 1315 1192 1425 2487 Selective Selective 5453 1GLO GLY 83 C -8.548 7.195 -14.402 -5.099 6 1223 1162 1338 2312 Permissive Selective 5454 1GLO ILE 84 E -8.941 8.046 -14.109 -5.136 6 1076 1109 1255 2148 Permissive Gatekeeper 5455 1GLO ASP 85 E -10.407 9.23 -16.296 -5.163 6 971 1060 1167 1981 Permissive Gatekeeper 5456 1GLO SER 86 B -10.347 10.083 -15.759 -5.178 6 852 987 1077 1736 Permissive Gatekeeper 5457 1GLO ASP 87 G -9.487 10.072 -14.124 -5.214 6 690 831 988 1415 Permissive Inactive 5458 1GLO ALA 88 G -9.49 10.111 -14.096 -5.214 6 426 606 924 1119 Inactive Inactive 5459 1GLO SER 89 G -9.494 10.16 -14.067 -5.223 6 319 543 854 831 Inactive Inactive 5460 1GLO TYR 90 C -9.513 10.416 -13.906 -5.233 6 196 418 779 620 Inactive Inactive 5461 1GLO PRO 91 C -8.549 11.154 -11.729 -4.828 5 102 383 726 460 Inactive Inactive 5462 1GLO TYR 92 C -8.54 11.333 -11.647 -4.835 5 139 266 680 351 Inactive Inactive 5463 1GLO LYS 93 C -7.531 8.716 -11.691 -4.783 5 165 110 642 272 Inactive Inactive 5464 1GLO ALA 94 C -7.183 7.803 -11.878 -4.649 5 317 70 605 226 Inactive Inactive 5465 1GLO MET 95 C -6.295 6.187 -11.364 -4.626 3 413 69 596 194 Inactive Inactive 5466 1GLO ASP 96 C -5.899 5.938 -11.15 -4.59 3 508 69 567 163 Inactive Inactive 5467 1GLO LEU 97 C -5.897 5.946 -11.155 -4.591 3 589 75 544 134 Inactive Inactive 5468 1GLO LYS 98 C -5.928 5.83 -11.131 -4.582 3 692 105 497 103 Permissive Inactive 5469 1GLO CYS 99 C -5.96 5.783 -11.077 -4.587 3 818 166 464 83 Permissive Inactive 5470 1GLO GLN 100 C -6.304 5.836 -10.972 -4.563 3 892 170 427 63 Permissive Inactive 5471 1GLO TYR 101 C -8.583 9.491 -13.625 -5.16 6 919 174 380 42 Permissive Inactive 5472 1GLO ASP 102 C -7.752 8.701 -12.105 -4.912 5 932 158 336 26 Permissive Inactive 5473 1GLO SER 103 G -7.604 8.963 -11.938 -4.84 5 939 146 317 20 Permissive Inactive 5474 1GLO LYS 104 G -7.558 9.143 -11.912 -4.826 5 934 140 312 21 Permissive Inactive 5475 1GLO TYR 105 G -7.562 9.176 -11.874 -4.819 5 895 151 297 22 Permissive Inactive 5476 1GLO ARG 106 E -7.582 9.177 -11.797 -4.787 5 836 152 289 26 Permissive Inactive 5477 1GLO ALA 107 E -7.902 10.398 -11.456 -4.56 5 680 157 284 34 Permissive Inactive 5478 1GLO ALA 108 E -7.839 10.343 -11.389 -4.573 5 580 155 259 45 Inactive Inactive 5479 1GLO THR 109 C -7.877 10.395 -11.396 -4.61 5 485 155 254 74 Inactive Inactive 5480 1GLO CYS 110 C -7.853 10.421 -11.468 -4.644 5 409 182 263 105 Inactive Inactive 5481 1GLO SER 111 C -7.301 10.994 -10.808 -4.97 4 305 153 301 144 Inactive Inactive 5482 1GLO LYS 112 E -7.102 12.689 -9.9 -5.117 4 179 95 350 192 Inactive Inactive 5483 1GLO TYR 113 E -7.077 13.479 -9.492 -5.129 4 105 91 409 249 Inactive Inactive 5484 1GLO THR 114 E -6.998 13.459 -9.451 -5.059 4 77 81 475 293 Inactive Inactive 5485 1GLO GLU 115 E -6.795 13.225 -9.32 -4.963 4 55 81 536 318 Inactive Inactive 5486 1GLO LEU 116 C -6.967 13.86 -8.962 -4.879 4 37 87 588 341 Inactive Inactive 5487 1GLO PRO 117 T -7.187 13.244 -9.163 -4.736 4 29 101 615 352 Inactive Inactive 5488 1GLO TYR 118 T -7.323 12.767 -9.275 -4.709 4 18 94 640 363 Inactive Inactive 5489 1GLO GLY 119 T -7.476 12.5 -9.314 -4.726 4 22 102 662 360 Inactive Inactive 5490 1GLO ARG 120 T -9.154 10.521 -12.601 -4.414 5 33 107 685 358 Inactive Inactive 5491 1GLO GLU 121 H -9.73 7.944 -14.948 -4.756 6 75 346 714 349 Inactive Inactive 5492 1GLO ASP 122 H -9.742 7.916 -14.947 -4.761 6 130 690 732 325 Inactive Inactive 5493 1GLO VAL 123 H -9.729 8.144 -14.823 -4.739 6 204 1069 741 301 Inactive Inactive 5494 1GLO LEU 124 H -10.708 11.959 -14.508 -4.679 7 264 1498 746 281 Gatekeeper Inactive 5495 1GLO LYS 125 H -10.989 12.549 -14.626 -4.741 7 404 2111 726 253 Gatekeeper Inactive 5496 1GLO GLU 126 H -8.845 10.143 -11.225 -3.943 5 582 2854 689 213 Gatekeeper Inactive 5497 1GLO ALA 127 H -8.701 10.259 -11.397 -3.994 5 790 3635 646 187 Selective Inactive 5498 1GLO VAL 128 H -8.196 10.121 -11.522 -4.355 5 969 4414 617 178 Selective Inactive 5499 1GLO ALA 129 H -7.918 10.45 -11.374 -4.47 5 1108 5074 598 174 Selective Inactive 5500 1GLO ASN 130 H -7.814 10.711 -11.31 -4.489 4 1275 5607 591 174 Selective Inactive 5501 1GLO LYS 131 H -7.913 10.891 -11.363 -4.607 5 1363 6261 583 164 Selective Inactive 5502 1GLO GLY 132 C -7.918 11.02 -11.278 -4.597 4 1462 6896 568 161 Selective Inactive 5503 1GLO PRO 133 C -8.169 11.629 -11.08 -4.566 5 1477 7272 579 156 Selective Inactive 5504 1GLO VAL 134 E -8.598 12.484 -11.015 -4.376 4 1489 7184 593 172 Selective Inactive 5505 1GLO SER 135 E -9.137 13.072 -11.156 -4.06 7 1529 7028 603 177 Selective Inactive 5506 1GLO VAL 136 E -9.196 12.968 -11.089 -3.954 7 1691 7107 605 172 Selective Inactive 5507 1GLO GLY 137 E -9.361 12.089 -11.952 -4.056 7 1905 7209 591 153 Selective Inactive 5508 1GLO VAL 138 E -9.372 11.619 -12.349 -4.164 5 2000 6758 586 133 Selective Inactive 5509 1GLO ASP 139 C -9.09 9.013 -13.405 -4.378 5 2042 6214 590 119 Selective Inactive 5510 1GLO ALA 140 C -8.432 8.369 -12.649 -4.267 5 2003 5618 604 110 Selective Inactive 5511 1GLO ARG 141 C -8.439 8.33 -12.657 -4.273 5 1894 5039 610 107 Selective Inactive 5512 1GLO HIS 142 C -8.469 8.25 -12.622 -4.272 5 1859 4863 612 121 Selective Inactive 5513 1GLO PRO 143 H -8.445 8.433 -12.545 -4.261 5 1801 4840 650 155 Selective Inactive 5514 1GLO SER 144 H -8.591 8.546 -12.296 -4.226 5 1805 4711 712 226 Selective Inactive 5515 1GLO PHE 145 H -9.885 12.148 -12.214 -4.303 7 1843 4652 775 330 Selective Inactive 5516 1GLO PHE 146 H -9.864 11.945 -12.239 -4.226 7 1844 4520 836 417 Selective Inactive 5517 1GLO LEU 147 H -9.609 10.821 -12.787 -4.209 5 1796 4419 907 490 Selective Inactive 5518 1GLO TYR 148 C -9.851 9.935 -13.632 -4.23 5 1707 4288 997 599 Selective Inactive 5519 1GLO ARG 149 C -9.753 10.158 -13.649 -4.271 5 1498 3863 1094 752 Selective Inactive 5520 1GLO SER 150 C -8.813 14.152 -10.734 -4.873 7 1241 3367 1197 956 Selective Inactive 5521 1GLO GLY 151 C -8.78 14.465 -10.757 -4.979 7 1023 3271 1284 1155 Selective Inactive 5522 1GLO VAL 152 C -8.737 15.122 -10.607 -5.122 7 849 3156 1348 1296 Selective Permissive 5523 1GLO TYR 153 B -8.705 15.088 -10.737 -5.189 7 728 3159 1385 1379 Selective Permissive 5524 1GLO TYR 154 C -6.643 9.296 -10.371 -5.13 3 661 3032 1414 1443 Selective Permissive 5525 1GLO GLU 155 T -6.558 8.719 -10.784 -5.112 3 561 2627 1424 1480 Gatekeeper Permissive 5526 1GLO PRO 156 T -6.556 8.686 -10.808 -5.109 3 466 2257 1393 1497 Gatekeeper Selective 5527 1GLO SER 157 T -6.556 8.647 -10.824 -5.107 3 465 1846 1350 1469 Gatekeeper Permissive 5528 1GLO CYS 158 T -6.545 8.609 -10.879 -5.101 3 359 1414 1306 1408 Gatekeeper Permissive 5529 1GLO THR 159 C -7.545 6.331 -13.321 -4.986 3 335 1196 1237 1363 Gatekeeper Inactive 5530 1GLO GLN 160 C -8.505 7.003 -14.541 -4.953 6 336 1237 1161 1313 Gatekeeper Inactive 5531 1GLO ASN 161 C -8.288 8.105 -13.972 -5.16 6 341 1251 1071 1240 Gatekeeper Inactive 5532 1GLO VAL 162 C -8.293 8.472 -13.786 -5.17 6 313 1195 998 1116 Gatekeeper Inactive 5533 1GLO ASN 163 C -8.596 9.221 -13.836 -5.374 6 303 1206 928 939 Gatekeeper Inactive 5534 1GLO HIS 164 E -8.72 9.773 -13.52 -5.405 6 304 1293 884 768 Gatekeeper Inactive 5535 1GLO GLY 165 E -8.573 11.03 -12.31 -4.958 5 313 1541 872 644 Gatekeeper Inactive 5536 1GLO VAL 166 E -8.883 14.53 -9.612 -3.855 4 390 1567 875 582 Gatekeeper Inactive 5537 1GLO LEU 167 E -8.959 14.944 -9.061 -3.656 4 433 1605 882 536 Gatekeeper Inactive 5538 1GLO VAL 168 E -8.897 14.925 -9.234 -3.727 4 583 1697 915 522 Gatekeeper Inactive 5539 1GLO VAL 169 E -8.887 14.818 -9.358 -3.769 4 722 1710 973 544 Selective Inactive 5540 1GLO GLY 170 E -9.193 14.726 -9.835 -3.907 4 820 1781 1026 630 Selective Inactive 5541 1GLO TYR 171 E -8.938 11.286 -12.644 -5.073 7 900 1671 1096 813 Selective Inactive 5542 1GLO GLY 172 E -4.02 4.394 -8.963 -4.745 2 1176 1702 1147 1049 Selective Inactive 5543 1GLO ASP 173 E -3.42 5.005 -8.361 -4.734 2 1353 1622 1228 1319 Selective Inactive 5544 1GLO LEU 174 E -3.408 5.02 -8.411 -4.74 2 1395 1557 1297 1654 Selective Gatekeeper 5545 1GLO ASN 175 T -3.408 5.021 -8.412 -4.741 2 1534 1611 1345 1994 Selective Selective 5546 1GLO GLY 176 T -3.408 5.021 -8.412 -4.741 2 1599 1572 1395 2307 Selective Selective 5547 1GLO LYS 177 E -3.669 5.358 -8.088 -4.728 2 1659 1437 1442 2588 Selective Selective 5548 1GLO GLU 178 E -5.732 5.817 -10.876 -5.058 3 1655 1156 1474 2845 Permissive Selective 5549 1GLO TYR 179 E -8.159 9.42 -12.737 -5.593 6 1546 1021 1495 3043 Permissive Selective 5550 1GLO TRP 180 E -12.391 15.704 -15.676 -6.015 8 1502 931 1518 3224 Permissive Selective 5551 1GLO LEU 181 E -13.694 18.501 -16.931 -6.092 8 1349 756 1522 3306 Permissive Selective 5552 1GLO VAL 182 E -13.675 17.632 -16.839 -5.743 8 1203 602 1497 3309 Permissive Selective 5553 1GLO LYS 183 E -13.444 15.641 -17.866 -6.034 8 1017 426 1455 3225 Permissive Selective 5554 1GLO ASN 184 C -12.337 12.463 -17.093 -5.7 8 904 395 1412 3042 Permissive Selective 5555 1GLO SER 185 C -9.514 10.332 -13.455 -5.142 6 622 330 1384 2797 Inactive Selective 5556 1GLO TRP 186 B -8.744 12.209 -11.675 -4.974 7 447 333 1347 2549 Inactive Selective 5557 1GLO GLY 187 T -7.548 8.935 -11.524 -4.789 5 401 325 1305 2220 Inactive Selective 5558 1GLO HIS 188 T -7.546 8.936 -11.539 -4.791 5 269 273 1279 1931 Inactive Gatekeeper 5559 1GLO ASN 189 T -7.545 8.935 -11.548 -4.792 5 219 269 1291 1719 Inactive Gatekeeper 5560 1GLO PHE 190 T -7.563 8.887 -11.499 -4.781 5 158 255 1303 1578 Inactive Gatekeeper 5561 1GLO GLY 191 T -7.622 8.45 -11.577 -4.771 5 265 241 1329 1535 Inactive Selective 5562 1GLO GLU 192 B -9.888 10.078 -15.476 -5.332 6 395 202 1358 1618 Inactive Selective 5563 1GLO GLU 193 T -10.006 10.324 -15.382 -5.355 6 453 199 1394 1701 Inactive Selective 5564 1GLO GLY 194 T -10.087 10.532 -15.19 -5.349 6 549 311 1433 1860 Inactive Selective 5565 1GLO TYR 195 E -10.355 11.124 -15.037 -5.426 6 908 651 1482 2071 Permissive Selective 5566 1GLO ILE 196 E -10.825 13.11 -13.977 -5.291 7 1024 737 1547 2332 Permissive Selective 5567 1GLO ARG 197 E -12.715 16.041 -14.956 -5.358 8 1153 860 1615 2588 Permissive Selective 5568 1GLO MET 198 E -14.18 15.817 -18.944 -6.352 8 1232 973 1668 2789 Permissive Selective 5569 1GLO ALA 199 E -11.171 9.321 -17.592 -6.234 6 1305 1184 1673 2890 Permissive Selective 5570 1GLO ARG 200 T -11.13 9.25 -17.813 -6.279 6 1368 1585 1700 3011 Selective Selective 5571 1GLO ASN 201 T -10.912 8.593 -18.319 -6.323 6 1404 1908 1730 3106 Selective Selective 5572 1GLO LYS 202 T -10.774 8.443 -18.458 -6.311 6 1395 2141 1700 3169 Selective Selective 5573 1GLO GLY 203 T -10.523 7.811 -18.486 -6.193 6 1386 2574 1652 3189 Selective Selective 5574 1GLO ASN 204 T -10.703 7.441 -18.753 -6.117 6 0 0 0 0 Inactive Inactive 5575 1GLO HIS 205 G -10.398 9.299 -16.721 -5.573 6 - - - - - - 5576 1GLO CYS 206 G -9.938 9.991 -14.864 -5.028 6 - - - - - - 5577 1GLO GLY 207 G -9.801 10.719 -14.207 -4.855 6 - - - - - - 5578 1GLO ILE 208 T -9.802 11.537 -13.523 -4.658 7 - - - - - - 5579 1GLO ALA 209 T -9.778 11.6 -13.47 -4.622 7 - - - - - - 5580 1GLO SER 210 T -9.874 11.551 -13.371 -4.579 7 - - - - - - 5581 1GLO PHE 211 T -10.331 13.08 -12.762 -4.382 7 - - - - - - 5582 1GLO PRO 212 E -10.877 13.815 -12.599 -4.169 7 - - - - - - 5583 1GLO SER 213 E -11.388 13.112 -13.864 -4.55 7 - - - - - - 5584 1GLO TYR 214 E -9.78 17.249 -9.841 -4.907 7 - - - - - - 5585 1GLO PRO 215 E -9.78 17.249 -9.841 -4.907 7 - - - - - - 5586 1GLO GLU 216 E -9.78 17.249 -9.841 -4.907 7 - - - - - - 5587 1GLO ILE 217 C -9.78 17.249 -9.841 -4.907 7 - - - - - - 5588 1GNU MET 1 C -9.245 11 -11.647 -4.299 5 - - - - - - 5589 1GNU LYS 2 C -9.245 11 -11.647 -4.299 5 - - - - - - 5590 1GNU PHE 3 C -9.245 11 -11.647 -4.299 5 - - - - - - 5591 1GNU VAL 4 H -9.245 11 -11.647 -4.299 5 - - - - - - 5592 1GNU TYR 5 H -10.08 13.727 -13.845 -6.277 8 - - - - - - 5593 1GNU LYS 6 H -7.344 8.74 -11.874 -5.422 3 - - - - - - 5594 1GNU GLU 7 H -7.087 9.292 -11.582 -5.306 3 - - - - - - 5595 1GNU GLU 8 H -7.038 9.297 -11.675 -5.297 3 - - - - - - 5596 1GNU HIS 9 C -6.989 9.186 -11.795 -5.271 3 - - - - - - 5597 1GNU PRO 10 C -6.989 9.164 -11.8 -5.266 3 - - - - - - 5598 1GNU PHE 11 H -7.453 9.729 -11.736 -5.091 3 - - - - - - 5599 1GNU GLU 12 H -8.08 8.639 -13.041 -5.09 5 - - - - - - 5600 1GNU LYS 13 H -8.443 8.03 -13.284 -5.005 5 589 87 989 810 Inactive Inactive 5601 1GNU ARG 14 H -10.033 9.703 -14.729 -5.313 6 612 86 1015 943 Inactive Gatekeeper 5602 1GNU ARG 15 H -11.828 9.801 -17.619 -5.296 6 614 83 1026 1074 Inactive Selective 5603 1GNU SER 16 H -10.084 7.536 -16.082 -5.377 6 590 68 1018 1119 Inactive Selective 5604 1GNU GLU 17 H -9.498 9.297 -14.801 -5.378 6 581 67 1007 1140 Inactive Gatekeeper 5605 1GNU GLY 18 H -9.487 9.367 -14.837 -5.393 6 559 81 990 1109 Inactive Gatekeeper 5606 1GNU GLU 19 H -9.473 9.417 -14.869 -5.394 6 512 82 989 1118 Inactive Gatekeeper 5607 1GNU LYS 20 H -9.447 9.516 -14.844 -5.375 6 463 105 984 1115 Inactive Gatekeeper 5608 1GNU ILE 21 H -9.656 10.653 -14.284 -5.371 6 423 217 987 1102 Inactive Gatekeeper 5609 1GNU ARG 22 H -10.151 10.954 -14.981 -5.221 6 395 242 1000 1098 Inactive Gatekeeper 5610 1GNU LYS 23 H -7.197 7.563 -11.685 -4.946 3 365 251 1004 1086 Inactive Gatekeeper 5611 1GNU LYS 24 H -7.077 7.979 -11.639 -4.924 3 264 314 1008 1064 Inactive Gatekeeper 5612 1GNU TYR 25 T -7.068 8.039 -11.636 -4.917 3 255 1043 1025 1034 Inactive Selective 5613 1GNU PRO 26 T -7.058 8.114 -11.615 -4.897 3 358 1793 1029 962 Inactive Selective 5614 1GNU ASP 27 T -7.058 8.129 -11.601 -4.893 3 497 2332 1013 835 Inactive Inactive 5615 1GNU ARG 28 E -7.966 10.323 -11.357 -4.697 5 613 2836 991 699 Inactive Inactive 5616 1GNU VAL 29 E -8.874 13.746 -10.22 -3.893 4 861 3494 986 618 Gatekeeper Inactive 5617 1GNU PRO 30 E -9.094 14.532 -9.583 -3.637 4 983 4078 994 550 Gatekeeper Inactive 5618 1GNU VAL 31 E -9.561 17.067 -8.461 -3.414 4 1033 4289 985 487 Gatekeeper Inactive 5619 1GNU ILE 32 E -9.691 17.625 -8.046 -3.36 4 1048 4385 975 446 Gatekeeper Inactive 5620 1GNU VAL 33 E -9.689 17.095 -8.59 -3.55 4 1046 4461 967 416 Gatekeeper Inactive 5621 1GNU GLU 34 E -9.467 9.874 -14.159 -5.143 6 1016 4400 940 391 Gatekeeper Inactive 5622 1GNU LYS 35 E -6.915 7.651 -10.404 -4.238 4 1005 4482 913 357 Gatekeeper Inactive 5623 1GNU ALA 36 T -5.504 5.395 -8.796 -3.35 2 1007 4579 883 330 Gatekeeper Inactive 5624 1GNU PRO 37 T -5.035 6.643 -7.899 -3.328 2 1009 4536 871 337 Gatekeeper Inactive 5625 1GNU LYS 38 T -4.645 7.194 -7.579 -3.521 2 952 3807 866 345 Gatekeeper Inactive 5626 1GNU ALA 39 T -4.608 7.3 -7.654 -3.565 2 795 3057 860 376 Gatekeeper Inactive 5627 1GNU ARG 40 C -4.581 7.498 -7.626 -3.6 2 658 2531 851 421 Inactive Inactive 5628 1GNU ILE 41 C -4.696 8.09 -7.435 -3.703 2 560 2038 853 478 Inactive Inactive 5629 1GNU GLY 42 C -4.91 8.268 -7.601 -3.89 2 363 1399 863 532 Inactive Inactive 5630 1GNU ASP 43 C -5.739 9.754 -8.743 -4.394 4 249 818 855 593 Inactive Inactive 5631 1GNU LEU 44 T -6.053 10.327 -8.69 -4.5 4 205 596 846 639 Inactive Inactive 5632 1GNU ASP 45 T -6.897 9.717 -10.774 -5.057 3 228 504 825 662 Inactive Inactive 5633 1GNU LYS 46 T -7.714 7.796 -13.004 -5.359 6 257 452 794 669 Inactive Inactive 5634 1GNU LYS 47 T -9.111 9.915 -14.278 -5.702 6 268 434 777 667 Inactive Inactive 5635 1GNU LYS 48 E -10.128 12.021 -14.887 -5.812 6 293 391 756 663 Inactive Inactive 5636 1GNU TYR 49 E -10.831 15.493 -13.937 -5.446 8 387 575 744 673 Inactive Inactive 5637 1GNU LEU 50 E -9.154 11.553 -11.415 -4.27 4 651 1165 739 646 Inactive Inactive 5638 1GNU VAL 51 E -8.231 10.888 -10.631 -4.156 4 974 1831 748 640 Inactive Inactive 5639 1GNU PRO 52 E -7.958 10.66 -10.966 -4.332 4 1359 2543 760 629 Inactive Inactive 5640 1GNU SER 53 T -7.934 10.695 -11.019 -4.342 4 1644 2836 784 639 Inactive Inactive 5641 1GNU ASP 54 T -7.822 10.753 -11.129 -4.407 4 1871 3025 789 636 Inactive Inactive 5642 1GNU LEU 55 T -7.839 10.666 -11.198 -4.426 4 2135 3271 783 634 Gatekeeper Inactive 5643 1GNU THR 56 B -8.132 10.728 -11.725 -4.63 5 2398 3581 775 616 Gatekeeper Inactive 5644 1GNU VAL 57 H -8.538 11.156 -11.902 -4.625 5 2658 3808 774 645 Selective Inactive 5645 1GNU GLY 58 H -8.608 11.087 -11.846 -4.629 5 2994 4138 797 693 Selective Inactive 5646 1GNU GLN 59 H -9.236 11.157 -12.198 -4.461 5 3782 4510 838 780 Selective Inactive 5647 1GNU PHE 60 H -10.135 14.164 -11.939 -4.751 7 4602 4851 889 892 Selective Inactive 5648 1GNU TYR 61 H -11.779 17.792 -13.697 -5.38 8 4837 4838 940 968 Selective Gatekeeper 5649 1GNU PHE 62 H -11.126 13.329 -14.068 -4.711 7 4836 4546 985 984 Selective Gatekeeper 5650 1GNU LEU 63 H -11.207 12.738 -14.108 -4.54 7 4596 3939 1032 995 Selective Selective 5651 1GNU ILE 64 H -11.225 12.582 -14.122 -4.518 7 4285 3273 1060 984 Selective Selective 5652 1GNU ARG 65 H -11.055 11.788 -14.733 -4.643 7 3942 2557 1090 971 Permissive Selective 5653 1GNU LYS 66 H -8.188 11.844 -9.934 -4.334 4 3804 2283 1130 930 Permissive Permissive 5654 1GNU ARG 67 H -8.094 11.812 -10.083 -4.3 4 4093 2413 1198 907 Permissive Permissive 5655 1GNU ILE 68 H -7.075 9.661 -9.394 -3.847 4 4435 2419 1263 892 Permissive Permissive 5656 1GNU HIS 69 C -5.978 6.66 -9.638 -3.924 2 4569 2208 1316 881 Permissive Permissive 5657 1GNU LEU 70 C -5.645 6.398 -9.845 -4.04 2 4696 2139 1362 849 Permissive Permissive 5658 1GNU ARG 71 T -4.704 5.179 -8.931 -3.946 2 4715 1915 1401 832 Permissive Permissive 5659 1GNU ALA 72 T -4.695 5.246 -8.952 -3.959 2 4287 1632 1449 806 Permissive Permissive 5660 1GNU GLU 73 T -4.703 5.19 -8.948 -3.962 2 3982 1933 1502 769 Permissive Permissive 5661 1GNU ASP 74 T -4.765 5.09 -8.868 -3.965 2 4515 3626 1535 775 Selective Permissive 5662 1GNU ALA 75 C -4.825 4.987 -8.732 -3.94 2 5394 5554 1566 829 Selective Permissive 5663 1GNU LEU 76 C -7.132 9.664 -10.305 -4.76 4 6305 7478 1586 884 Selective Permissive 5664 1GNU PHE 77 E -9.339 13.085 -11.776 -5.127 7 7119 9317 1606 936 Selective Selective 5665 1GNU PHE 78 E -12.206 19.433 -12.484 -5.138 7 7587 10647 1627 971 Selective Selective 5666 1GNU PHE 79 E -10.338 11.832 -13.001 -4.519 7 7623 11494 1627 984 Selective Selective 5667 1GNU VAL 80 B -7.339 9.193 -9.98 -4.151 4 7247 12046 1603 977 Selective Selective 5668 1GNU ASN 81 T -7.203 9.317 -10.095 -4.131 4 6739 12639 1560 961 Selective Selective 5669 1GNU ASN 82 T -6.926 9.408 -9.73 -3.889 4 6449 13346 1559 961 Selective Selective 5670 1GNU VAL 83 B -5.942 9.892 -7.175 -3.28 1 6338 14211 1562 980 Selective Selective 5671 1GNU ILE 84 C -5.619 10.038 -6.907 -3.22 1 6166 14903 1564 1036 Selective Selective 5672 1GNU PRO 85 C -5.438 9.885 -6.838 -3.181 1 6010 15398 1559 1062 Selective Selective 5673 1GNU PRO 86 T -5.33 9.489 -7.191 -3.278 1 5607 14797 1539 1083 Selective Selective 5674 1GNU THR 87 T -5.344 9.49 -7.149 -3.275 1 4917 13040 1528 1119 Selective Selective 5675 1GNU SER 88 T -5.551 9.274 -7.391 -3.333 2 4055 11094 1533 1151 Selective Selective 5676 1GNU ALA 89 T -5.829 8.695 -7.904 -3.451 2 3244 9166 1532 1222 Selective Selective 5677 1GNU THR 90 B -6.352 7.671 -9.071 -3.787 2 2614 7328 1557 1390 Selective Selective 5678 1GNU MET 91 H -8.944 10.852 -12.578 -4.706 5 2203 6005 1604 1683 Gatekeeper Selective 5679 1GNU GLY 92 H -9.626 10.374 -14.238 -5.006 6 2213 5239 1659 2174 Gatekeeper Selective 5680 1GNU GLN 93 H -9.992 10.858 -14.505 -5.137 6 2577 4509 1739 2818 Selective Selective 5681 1GNU LEU 94 H -10.43 12.941 -14.034 -5.316 7 3117 4018 1811 3502 Selective Selective 5682 1GNU TYR 95 H -10.974 13.556 -15.077 -5.521 8 3840 3614 1867 4179 Selective Selective 5683 1GNU GLN 96 H -10.665 11.842 -15.734 -5.56 8 4305 2822 1900 4826 Permissive Selective 5684 1GNU GLU 97 H -10.135 10.376 -15.52 -5.524 6 4860 2332 1939 5364 Permissive Selective 5685 1GNU HIS 98 H -10.162 10.169 -15.58 -5.528 6 5212 1926 1973 6039 Permissive Selective 5686 1GNU HIS 99 C -10.126 10.109 -15.67 -5.54 6 5632 2123 2016 6699 Permissive Selective 5687 1GNU GLU 100 T -10.194 9.779 -15.752 -5.542 6 6073 2486 2033 7274 Permissive Selective 5688 1GNU GLU 101 T -10.314 9.894 -15.533 -5.523 6 6509 2907 2023 7839 Permissive Selective 5689 1GNU ASP 102 T -11.508 11.465 -16.473 -5.66 8 6819 3221 1994 8378 Selective Selective 5690 1GNU PHE 103 T -11.556 11.553 -16.28 -5.643 8 7111 3809 1952 8715 Selective Selective 5691 1GNU PHE 104 C -13.068 19.486 -14.537 -5.49 8 7145 3918 1899 8822 Selective Selective 5692 1GNU LEU 105 E -13.334 21.625 -13.217 -5.153 8 - - - - - - 5693 1GNU TYR 106 E -13.763 23.678 -12.275 -4.875 7 - - - - - - 5694 1GNU ILE 107 E -13.56 21.937 -13.181 -4.91 7 - - - - - - 5695 1GNU ALA 108 E -12.466 15.963 -14.77 -5.173 8 - - - - - - 5696 1GNU TYR 109 E -11.808 15.647 -14.713 -5.495 8 - - - - - - 5697 1GNU SER 110 E -9.616 15.728 -13.656 -7.343 8 - - - - - - 5698 1GNU ASP 111 C -7.467 13.279 -11.127 -6.531 7 - - - - - - 5699 1GNU GLU 112 C -5.61 11.025 -8.457 -5.362 4 - - - - - - 5700 1GNU SER 113 C -4.837 10.264 -7.316 -4.671 2 - - - - - - 5701 1GNU VAL 114 C -3.968 8.572 -6.062 -3.84 1 - - - - - - 5702 1GNU TYR 115 C -3.968 8.572 -6.062 -3.84 1 - - - - - - 5703 1GNU GLY 116 C -3.968 8.572 -6.062 -3.84 1 - - - - - - 5704 1GNU LEU 117 C -3.968 8.572 -6.062 -3.84 1 - - - - - - 5705 1GP0 ASP 1515 C -8.233 6.764 -13.009 -4.35 5 - - - - - - 5706 1GP0 CYS 1516 C -8.233 6.764 -13.009 -4.35 5 - - - - - - 5707 1GP0 GLN 1517 E -8.233 6.764 -13.009 -4.35 5 - - - - - - 5708 1GP0 VAL 1518 E -8.233 6.764 -13.009 -4.35 5 - - - - - - 5709 1GP0 THR 1519 E -5.958 5.738 -10.054 -4.265 2 - - - - - - 5710 1GP0 ASN 1520 T -4.675 3.488 -10.051 -4.44 2 - - - - - - 5711 1GP0 PRO 1521 T -4.577 3.583 -10.141 -4.423 2 - - - - - - 5712 1GP0 SER 1522 T -4.544 3.748 -10.166 -4.44 2 - - - - - - 5713 1GP0 THR 1523 T -4.544 3.755 -10.168 -4.441 2 - - - - - - 5714 1GP0 GLY 1524 T -4.6 3.558 -10.181 -4.458 2 - - - - - - 5715 1GP0 HIS 1525 C -5.501 4.831 -10.63 -4.441 2 - - - - - - 5716 1GP0 LEU 1526 E -6.269 6.745 -10.635 -4.748 3 - - - - - - 5717 1GP0 PHE 1527 E -8.624 11.684 -11.737 -5.079 5 541 1073 796 82 Inactive Inactive 5718 1GP0 ASP 1528 E -9.356 11.862 -12.53 -4.8 7 454 799 809 84 Inactive Inactive 5719 1GP0 LEU 1529 C -9.423 11.937 -12.037 -4.403 7 426 637 770 80 Inactive Inactive 5720 1GP0 SER 1530 G -8.903 9.133 -12.895 -4.349 5 389 544 702 66 Inactive Inactive 5721 1GP0 SER 1531 G -8.886 9.084 -12.966 -4.348 5 329 413 639 56 Inactive Inactive 5722 1GP0 LEU 1532 G -8.869 9.049 -13.035 -4.351 5 253 334 582 45 Inactive Inactive 5723 1GP0 SER 1533 B -8.097 5.598 -13.798 -4.576 5 220 259 546 43 Inactive Inactive 5724 1GP0 GLY 1534 T -8.066 5.553 -13.884 -4.591 5 176 244 538 45 Inactive Inactive 5725 1GP0 ARG 1535 T -8.144 5.392 -13.941 -4.638 5 158 241 557 52 Inactive Inactive 5726 1GP0 ALA 1536 T -8.057 6.12 -13.632 -4.609 5 153 255 603 67 Inactive Inactive 5727 1GP0 GLY 1537 T -8.044 6.265 -13.594 -4.608 5 144 270 661 87 Inactive Inactive 5728 1GP0 PHE 1538 E -8.81 9.899 -12.747 -4.527 5 136 253 724 147 Inactive Inactive 5729 1GP0 THR 1539 E -8.809 12.015 -12.572 -5.137 7 126 224 797 240 Inactive Inactive 5730 1GP0 ALA 1540 E -7.662 9.789 -10.416 -4.182 4 128 216 840 312 Inactive Inactive 5731 1GP0 ALA 1541 E -4.969 6.655 -7.788 -3.849 2 133 214 881 392 Inactive Inactive 5732 1GP0 TYR 1542 E -3.612 5.889 -7.096 -4.171 2 137 204 958 482 Inactive Inactive 5733 1GP0 SER 1543 T -3.043 4.874 -7.085 -4.032 1 176 176 1055 585 Inactive Inactive 5734 1GP0 GLU 1544 T -3.016 4.974 -7.099 -4.024 1 266 204 1135 693 Inactive Inactive 5735 1GP0 LYS 1545 T -3.016 4.973 -7.098 -4.024 1 395 240 1191 806 Inactive Selective 5736 1GP0 GLY 1546 E -3.038 4.907 -7.069 -4.029 1 599 384 1232 918 Inactive Selective 5737 1GP0 LEU 1547 E -3.288 4.422 -7.068 -3.921 1 1091 812 1258 1012 Permissive Selective 5738 1GP0 VAL 1548 E -4.861 7.07 -7.314 -3.796 2 1310 1331 1260 1110 Permissive Selective 5739 1GP0 TYR 1549 E -8.623 12.282 -10.269 -4.419 4 1573 2251 1243 1200 Permissive Selective 5740 1GP0 MET 1550 E -10.941 12.134 -15.053 -5.478 8 1867 3472 1222 1279 Selective Selective 5741 1GP0 SER 1551 T -10.239 10.217 -15.23 -5.475 6 2136 4780 1177 1270 Selective Selective 5742 1GP0 ILE 1552 B -9.953 10.12 -15.482 -5.662 6 2523 6507 1119 1212 Selective Gatekeeper 5743 1GP0 CYS 1553 T -9.876 9.844 -15.828 -5.753 6 3078 8351 1081 1173 Selective Gatekeeper 5744 1GP0 GLY 1554 T -9.867 9.79 -15.902 -5.765 6 3488 10051 1031 1109 Selective Gatekeeper 5745 1GP0 GLU 1555 C -9.949 9.523 -16.07 -5.819 6 3815 11579 973 1034 Selective Gatekeeper 5746 1GP0 ASN 1556 T -10.226 9.227 -16.866 -6.065 6 3944 13248 898 942 Selective Gatekeeper 5747 1GP0 GLU 1557 T -8.933 6.896 -14.37 -4.97 6 4000 14687 830 838 Selective Gatekeeper 5748 1GP0 ASN 1558 T -8.11 5.818 -13.963 -4.825 3 3981 16038 777 725 Selective Inactive 5749 1GP0 CYS 1559 T -5.709 5.921 -9.455 -4.09 2 3867 17147 723 606 Selective Inactive 5750 1GP0 PRO 1560 T -4.787 6.365 -8.167 -3.934 2 3503 18167 668 504 Selective Inactive 5751 1GP0 PRO 1561 T -4.743 6.467 -8.226 -3.935 2 3297 18071 613 389 Selective Inactive 5752 1GP0 GLY 1562 T -4.743 6.47 -8.23 -3.935 2 3030 17163 553 280 Selective Inactive 5753 1GP0 VAL 1563 E -4.744 6.473 -8.216 -3.933 2 2734 15941 490 181 Selective Inactive 5754 1GP0 GLY 1564 E -4.871 6.604 -7.939 -3.898 2 2441 14631 443 129 Selective Inactive 5755 1GP0 ALA 1565 E -6.287 7.814 -9.104 -3.963 2 2044 12920 420 92 Selective Inactive 5756 1GP0 CYS 1566 E -7.744 9.444 -11.729 -4.788 5 1488 11122 397 60 Selective Inactive 5757 1GP0 PHE 1567 E -7.749 10.24 -11.288 -4.763 5 1081 9443 399 44 Selective Inactive 5758 1GP0 GLY 1568 T -5.927 5.736 -9.947 -4.062 2 754 7928 403 33 Gatekeeper Inactive 5759 1GP0 GLN 1569 T -5.914 5.763 -9.987 -4.063 2 584 6244 416 31 Gatekeeper Inactive 5760 1GP0 THR 1570 T -5.914 5.765 -9.989 -4.063 2 451 4773 419 30 Gatekeeper Inactive 5761 1GP0 ARG 1571 T -5.93 5.647 -9.952 -4.039 2 460 3451 418 33 Gatekeeper Inactive 5762 1GP0 ILE 1572 C -5.937 5.587 -9.943 -4.033 2 480 2297 416 41 Inactive Inactive 5763 1GP0 SER 1573 E -8.019 7.992 -12.023 -4.187 5 430 845 418 49 Inactive Inactive 5764 1GP0 VAL 1574 E -8.829 10.104 -12.43 -4.3 5 530 456 424 61 Inactive Inactive 5765 1GP0 GLY 1575 E -8.963 9.966 -12.794 -4.453 5 633 456 439 79 Inactive Inactive 5766 1GP0 LYS 1576 E -8.973 9.892 -12.828 -4.464 5 682 448 456 99 Inactive Inactive 5767 1GP0 ALA 1577 C -9.516 9.178 -14.299 -4.595 6 702 437 515 128 Inactive Inactive 5768 1GP0 ASN 1578 C -9.853 8.108 -15.596 -4.873 6 729 423 559 166 Inactive Inactive 5769 1GP0 LYS 1579 T -10.024 7.918 -15.787 -4.941 6 758 376 634 206 Inactive Inactive 5770 1GP0 ARG 1580 T -10.552 9.211 -15.618 -4.848 6 827 406 695 243 Inactive Inactive 5771 1GP0 LEU 1581 T -10.117 12.137 -12.935 -4.489 7 845 391 762 293 Inactive Inactive 5772 1GP0 ARG 1582 E -8.807 9.21 -12.117 -4.254 5 860 391 812 338 Inactive Inactive 5773 1GP0 TYR 1583 E -5.704 9.086 -7.74 -4.065 2 867 387 874 410 Inactive Inactive 5774 1GP0 VAL 1584 E -5.436 8.964 -7.764 -3.932 2 779 320 949 498 Inactive Inactive 5775 1GP0 ASP 1585 T -5.436 8.965 -7.767 -3.932 2 747 348 1024 595 Inactive Inactive 5776 1GP0 GLN 1586 T -5.436 8.964 -7.766 -3.932 2 718 474 1112 719 Inactive Inactive 5777 1GP0 VAL 1587 E -5.438 8.965 -7.752 -3.931 2 842 991 1179 825 Inactive Selective 5778 1GP0 LEU 1588 E -6.034 8.754 -7.812 -3.7 2 945 1484 1243 941 Permissive Selective 5779 1GP0 GLN 1589 E -9.839 11.545 -12.239 -4.428 7 1092 1892 1307 1073 Permissive Selective 5780 1GP0 LEU 1590 E -12.103 15.21 -14.62 -4.848 8 1342 2476 1333 1158 Permissive Selective 5781 1GP0 VAL 1591 E -9.947 12.155 -13.448 -5.484 6 1493 3346 1328 1173 Selective Selective 5782 1GP0 TYR 1592 E -9.617 12.278 -13.607 -5.616 6 1606 4109 1294 1170 Selective Selective 5783 1GP0 LYS 1593 E -6.163 6.541 -10.897 -5.022 3 1681 4912 1261 1160 Selective Selective 5784 1GP0 ASP 1594 E -5.997 6.548 -11.128 -5.052 3 1781 5773 1212 1135 Selective Selective 5785 1GP0 GLY 1595 E -5.836 6.149 -11.222 -4.882 3 1842 6508 1176 1119 Selective Selective 5786 1GP0 SER 1596 E -5.8 6.122 -11.285 -4.86 3 1855 6826 1166 1104 Selective Selective 5787 1GP0 PRO 1597 E -5.78 6.135 -11.334 -4.861 3 1838 7088 1160 1080 Selective Gatekeeper 5788 1GP0 CYS 1598 T -6.172 5.725 -11.889 -4.684 3 1757 6987 1175 1055 Selective Selective 5789 1GP0 PRO 1599 T -5.216 4.842 -10.153 -4.422 2 1690 6858 1168 1012 Selective Selective 5790 1GP0 SER 1600 T -5.167 4.937 -10.171 -4.449 2 1455 6307 1163 1010 Selective Selective 5791 1GP0 LYS 1601 T -5.005 5.159 -10.069 -4.422 2 1259 5788 1179 1042 Selective Selective 5792 1GP0 SER 1602 T -4.999 5.259 -10.027 -4.416 2 1068 5383 1205 1072 Selective Selective 5793 1GP0 GLY 1603 T -5.004 5.257 -9.999 -4.414 2 817 4804 1234 1136 Gatekeeper Selective 5794 1GP0 LEU 1604 T -5.557 6.007 -10.179 -4.409 2 648 3940 1294 1268 Gatekeeper Selective 5795 1GP0 SER 1605 E -5.77 6.241 -9.85 -4.348 2 511 3181 1364 1434 Gatekeeper Selective 5796 1GP0 TYR 1606 E -7.308 10.989 -9.241 -4.35 4 368 2334 1413 1624 Inactive Selective 5797 1GP0 LYS 1607 E -9.486 13.837 -11.544 -5.171 7 291 1529 1485 1829 Inactive Selective 5798 1GP0 SER 1608 E -12.422 16.133 -14.855 -5.039 8 336 1396 1559 1990 Inactive Selective 5799 1GP0 VAL 1609 E -12.168 16.938 -13.705 -4.705 7 504 1868 1612 2057 Inactive Selective 5800 1GP0 ILE 1610 E -11.421 16.213 -12.586 -4.543 7 630 2380 1637 2085 Inactive Selective 5801 1GP0 SER 1611 E -11.352 16.052 -12.839 -4.594 7 701 2937 1621 2077 Gatekeeper Selective 5802 1GP0 PHE 1612 E -9.563 15.524 -13.053 -6.512 7 839 4126 1610 2030 Gatekeeper Selective 5803 1GP0 VAL 1613 E -6.572 8.181 -11.296 -5.234 3 868 4924 1624 1946 Gatekeeper Selective 5804 1GP0 CYS 1614 E -5.635 7.106 -9.375 -4.192 2 900 5762 1631 1811 Selective Selective 5805 1GP0 ARG 1615 T -4.497 6.753 -7.491 -3.857 2 1005 6704 1629 1663 Selective Selective 5806 1GP0 PRO 1616 T -3.223 4.894 -6.703 -3.814 1 1114 7693 1643 1535 Selective Selective 5807 1GP0 GLU 1617 T -2.554 5.361 -6.191 -4.037 1 1166 8190 1653 1397 Selective Selective 5808 1GP0 ALA 1618 T -2.326 5.386 -6.358 -4.156 1 1220 8688 1637 1231 Selective Selective 5809 1GP0 GLY 1619 T -2.32 5.39 -6.387 -4.162 1 1257 8877 1621 1043 Selective Selective 5810 1GP0 PRO 1620 T -2.333 5.358 -6.365 -4.167 1 1224 8857 1584 846 Selective Selective 5811 1GP0 THR 1621 T -2.467 5.497 -6.258 -4.226 1 1095 8252 1547 687 Selective Permissive 5812 1GP0 ASN 1622 T -2.99 5.335 -6.662 -4.312 2 903 7476 1478 589 Selective Permissive 5813 1GP0 ARG 1623 C -4.848 5.967 -8.8 -4.397 2 765 6695 1412 532 Gatekeeper Permissive 5814 1GP0 PRO 1624 C -6.813 9.689 -9.742 -4.313 4 694 6103 1383 486 Gatekeeper Permissive 5815 1GP0 MET 1625 E -7.133 11.381 -9.259 -4.27 4 641 4893 1407 488 Gatekeeper Permissive 5816 1GP0 LEU 1626 E -7.08 11.544 -8.821 -4.036 4 868 4187 1428 537 Gatekeeper Permissive 5817 1GP0 ILE 1627 E -6.586 10.031 -9.409 -4.253 4 953 3374 1444 620 Selective Permissive 5818 1GP0 SER 1628 E -6.575 9.959 -9.497 -4.269 4 1154 2567 1471 816 Permissive Selective 5819 1GP0 LEU 1629 E -6.522 9.653 -9.841 -4.399 4 1375 1703 1477 1089 Permissive Selective 5820 1GP0 ASP 1630 E -6.687 8.968 -10.446 -4.561 5 1742 1344 1492 1446 Permissive Selective 5821 1GP0 LYS 1631 T -6.744 8.627 -10.591 -4.599 5 1923 1055 1514 1793 Permissive Selective 5822 1GP0 GLN 1632 T -7.536 7.943 -12.647 -5.101 3 2102 1077 1561 2157 Permissive Selective 5823 1GP0 THR 1633 T -7.614 7.943 -12.555 -5.124 3 2313 1330 1580 2419 Permissive Selective 5824 1GP0 CYS 1634 T -8.696 7.57 -14.873 -5.571 6 2456 1655 1594 2610 Permissive Selective 5825 1GP0 THR 1635 E -9.491 10.058 -14.702 -5.689 6 - - - - - - 5826 1GP0 LEU 1636 E -10.405 13.16 -13.815 -5.308 7 - - - - - - 5827 1GP0 PHE 1637 E -10.9 14.862 -12.879 -5.146 7 - - - - - - 5828 1GP0 PHE 1638 E -12.887 19.381 -13.632 -5.392 8 - - - - - - 5829 1GP0 SER 1639 E -13.076 17.524 -14.774 -5.224 8 - - - - - - 5830 1GP0 TRP 1640 E -13.136 17.271 -14.776 -5.215 8 - - - - - - 5831 1GP0 HIS 1641 E -12.089 16.818 -15.625 -6.667 8 - - - - - - 5832 1GP0 THR 1642 E -10.096 13.419 -13.358 -5.715 7 - - - - - - 5833 1GP0 PRO 1643 G -8.727 10.765 -11.926 -4.786 5 - - - - - - 5834 1GP0 LEU 1644 G -8.027 9.357 -11.386 -4.292 5 - - - - - - 5835 1GP0 ALA 1645 G -8.027 9.357 -11.386 -4.292 5 - - - - - - 5836 1GP0 CYS 1646 C -8.027 9.357 -11.386 -4.292 5 - - - - - - 5837 1GP0 GLU 1647 C -8.027 9.357 -11.386 -4.292 5 - - - - - - 5838 1GQV MET 0 C -7.627 7.94 -11.121 -4.092 5 - - - - - - 5839 1GQV LYS 1 C -7.627 7.94 -11.121 -4.092 5 - - - - - - 5840 1GQV PRO 2 T -7.627 7.94 -11.121 -4.092 5 - - - - - - 5841 1GQV PRO 3 T -7.627 7.94 -11.121 -4.092 5 - - - - - - 5842 1GQV GLN 4 T -9.17 9.259 -13.768 -5.177 6 - - - - - - 5843 1GQV PHE 5 T -10.965 14.329 -15.1 -6.256 8 - - - - - - 5844 1GQV THR 6 C -11.91 16.106 -15.004 -5.831 8 - - - - - - 5845 1GQV TRP 7 H -11.981 16.128 -14.572 -5.603 8 - - - - - - 5846 1GQV ALA 8 H -11.986 16.113 -14.521 -5.576 8 - - - - - - 5847 1GQV GLN 9 H -13.156 16.505 -16.196 -5.68 8 - - - - - - 5848 1GQV TRP 10 H -13.545 17.482 -16.076 -5.811 8 - - - - - - 5849 1GQV PHE 11 H -14.835 20.062 -17.46 -6.109 8 - - - - - - 5850 1GQV GLU 12 H -14.865 19.654 -17.738 -6.158 8 1460 1931 1814 8037 Inactive Selective 5851 1GQV THR 13 H -14.355 16.239 -18.481 -6.007 8 1425 1434 1769 7597 Inactive Selective 5852 1GQV GLN 14 H -14.07 15.496 -18.644 -6.059 8 1384 849 1715 6977 Inactive Selective 5853 1GQV HIS 15 H -10.665 13.663 -13.429 -5.336 7 1297 239 1631 6128 Inactive Selective 5854 1GQV ILE 16 H -8.542 11.857 -11.305 -5.01 5 1269 269 1558 5172 Inactive Selective 5855 1GQV ASN 17 T -7.539 9.412 -11.648 -5.058 3 1146 336 1498 4317 Inactive Selective 5856 1GQV MET 18 T -7.474 9.342 -11.857 -5.089 5 1077 367 1490 3485 Inactive Selective 5857 1GQV THR 19 T -7.446 9.184 -12.036 -5.101 5 1062 399 1489 3050 Inactive Selective 5858 1GQV SER 20 T -7.448 9.163 -12.034 -5.101 5 1040 490 1513 2964 Inactive Selective 5859 1GQV GLN 21 T -7.544 8.675 -12.205 -5.124 5 1042 568 1544 3289 Inactive Selective 5860 1GQV GLN 22 C -8.565 7.815 -14.435 -5.378 6 913 606 1599 3978 Inactive Selective 5861 1GQV CYS 23 H -9.191 6.11 -15.903 -5.415 6 789 606 1678 4883 Inactive Selective 5862 1GQV THR 24 H -10.529 7.273 -18.18 -6.048 6 848 536 1746 5862 Inactive Selective 5863 1GQV ASN 25 H -10.535 7.681 -17.952 -6.042 6 1064 569 1835 6895 Inactive Selective 5864 1GQV ALA 26 H -11.332 10.996 -17.48 -5.834 8 1231 565 1940 7956 Inactive Selective 5865 1GQV MET 27 H -11.502 12.163 -16.916 -5.752 8 1558 593 2031 8924 Permissive Selective 5866 1GQV GLN 28 H -11.619 12.23 -16.765 -5.628 8 2039 724 2111 9798 Permissive Selective 5867 1GQV VAL 29 H -11.589 12.632 -16.427 -5.553 8 2638 1004 2211 10554 Permissive Selective 5868 1GQV ILE 30 H -11.977 13.54 -16.29 -5.495 8 3293 1268 2298 11208 Permissive Selective 5869 1GQV ASN 31 H -12.166 12.991 -16.987 -5.699 8 3932 1688 2356 11663 Permissive Selective 5870 1GQV ASN 32 H -11.539 13.016 -15.803 -5.572 8 4532 2021 2392 11866 Permissive Selective 5871 1GQV TYR 33 H -11.279 13.373 -15.526 -5.603 8 5188 2338 2389 11839 Permissive Selective 5872 1GQV GLN 34 H -11.33 13.199 -15.628 -5.624 8 5682 2486 2347 11465 Permissive Selective 5873 1GQV ARG 35 C -10.928 10.96 -16.355 -5.549 8 6053 2549 2303 10807 Permissive Selective 5874 1GQV ARG 36 C -10.002 9.131 -16.16 -5.836 6 6401 2800 2226 9920 Permissive Selective 5875 1GQV CYS 37 C -9.994 8.822 -16.411 -5.896 6 6663 2988 2153 8977 Selective Selective 5876 1GQV LYS 38 C -9.957 8.653 -16.613 -5.954 6 6625 3008 2061 8020 Selective Selective 5877 1GQV ASN 39 C -9.959 8.656 -16.605 -5.954 6 6568 3037 1946 7018 Selective Selective 5878 1GQV GLN 40 E -10.018 8.658 -16.552 -6.005 6 6313 2990 1832 6073 Selective Selective 5879 1GQV ASN 41 E -11.015 8.683 -18.458 -6.41 6 5845 2844 1723 5216 Permissive Selective 5880 1GQV THR 42 E -11.15 11.398 -16.708 -6.097 8 5307 2498 1595 4434 Permissive Selective 5881 1GQV PHE 43 E -10.921 17.046 -11.778 -4.891 7 4654 2187 1453 3624 Permissive Selective 5882 1GQV LEU 44 E -10.418 17.691 -11.009 -4.852 7 3947 1740 1330 2913 Permissive Selective 5883 1GQV LEU 45 C -9.707 15.124 -11.227 -4.676 7 3345 1404 1207 2303 Permissive Selective 5884 1GQV THR 46 C -9.022 12.749 -11.631 -4.691 7 2659 1208 1106 1764 Permissive Selective 5885 1GQV THR 47 C -8.89 12.557 -11.694 -4.616 7 2161 1328 1025 1351 Permissive Gatekeeper 5886 1GQV PHE 48 H -8.904 12.447 -11.706 -4.609 7 1784 1526 964 1009 Permissive Gatekeeper 5887 1GQV ALA 49 H -8.718 10.83 -12.212 -4.421 5 1384 1428 908 777 Inactive Gatekeeper 5888 1GQV ASN 50 H -8.747 10.237 -12.444 -4.356 5 1030 1519 859 587 Inactive Gatekeeper 5889 1GQV VAL 51 H -9.05 9.193 -12.963 -4.087 5 849 1974 818 428 Inactive Inactive 5890 1GQV VAL 52 H -8.38 7.121 -13.056 -4.233 5 694 2444 788 316 Inactive Inactive 5891 1GQV ASN 53 H -7.848 6.336 -13.419 -4.586 5 580 3167 761 252 Gatekeeper Inactive 5892 1GQV VAL 54 H -7.685 5.809 -13.623 -4.586 5 551 3806 747 209 Gatekeeper Inactive 5893 1GQV CYS 55 H -6.903 4.512 -13.561 -4.959 3 496 4525 738 202 Gatekeeper Inactive 5894 1GQV GLY 56 H -6.75 4.579 -13.596 -4.97 3 453 5034 745 214 Gatekeeper Inactive 5895 1GQV ASN 57 C -6.736 4.674 -13.601 -5.004 3 420 5240 741 225 Gatekeeper Inactive 5896 1GQV PRO 58 C -6.628 5.458 -13.174 -5.044 3 399 5450 743 245 Gatekeeper Inactive 5897 1GQV ASN 59 E -6.629 5.716 -13.087 -5.083 3 448 5481 746 263 Gatekeeper Inactive 5898 1GQV MET 60 E -6.971 7.248 -12.726 -5.087 3 481 5270 755 283 Gatekeeper Inactive 5899 1GQV THR 61 C -7.139 8.367 -12.389 -5.147 3 598 5135 744 297 Gatekeeper Inactive 5900 1GQV CYS 62 T -6.742 7.705 -12.233 -5.237 3 745 5145 751 309 Gatekeeper Inactive 5901 1GQV PRO 63 T -4.657 6.418 -8.784 -4.718 2 837 5161 744 311 Gatekeeper Inactive 5902 1GQV SER 64 T -4.523 6.073 -9.148 -4.714 2 1058 4788 726 303 Gatekeeper Inactive 5903 1GQV ASN 65 T -4.376 5.963 -9.309 -4.707 2 1289 4408 708 291 Gatekeeper Inactive 5904 1GQV LYS 66 T -4.375 5.961 -9.312 -4.707 2 1318 3685 690 267 Gatekeeper Inactive 5905 1GQV THR 67 T -4.382 5.95 -9.282 -4.701 2 1383 3199 663 238 Gatekeeper Inactive 5906 1GQV ARG 68 T -4.948 5.233 -10.196 -4.691 2 1432 2675 635 200 Inactive Inactive 5907 1GQV LYS 69 C -5.266 5.581 -9.912 -4.685 2 1532 2404 617 165 Inactive Inactive 5908 1GQV ASN 70 C -8.164 6.001 -13.94 -5.05 3 1626 2420 610 141 Permissive Inactive 5909 1GQV CYS 71 E -10.479 6.263 -17.434 -5.459 6 1668 2312 614 117 Permissive Inactive 5910 1GQV HIS 72 E -10.906 8.295 -16.678 -5.183 6 1648 2118 614 92 Permissive Inactive 5911 1GQV HIS 73 E -8.434 8.368 -12.992 -5.023 5 1598 2031 607 75 Permissive Inactive 5912 1GQV SER 74 T -7.479 8.348 -11.668 -4.689 5 1479 1909 612 71 Inactive Inactive 5913 1GQV GLY 75 T -7.226 8.088 -11.601 -4.506 5 1361 1752 635 74 Inactive Inactive 5914 1GQV SER 76 T -7.225 8.097 -11.603 -4.505 5 1291 1538 687 95 Inactive Inactive 5915 1GQV GLN 77 C -7.226 8.102 -11.595 -4.504 5 1078 1480 748 117 Inactive Inactive 5916 1GQV VAL 78 E -7.307 8.062 -11.399 -4.428 5 1092 2057 820 139 Inactive Inactive 5917 1GQV PRO 79 E -7.848 7.644 -11.489 -4.162 5 1148 2519 898 172 Inactive Inactive 5918 1GQV LEU 80 E -10.588 12.385 -13.065 -4.214 7 1155 2697 973 218 Inactive Inactive 5919 1GQV ILE 81 E -11.438 14.691 -13.258 -4.522 7 1087 2736 1042 255 Inactive Permissive 5920 1GQV HIS 82 E -11.587 10.909 -16.862 -5.556 8 986 2772 1061 276 Inactive Permissive 5921 1GQV CYS 83 E -9.671 9.877 -14.219 -5.296 6 925 2976 1050 278 Gatekeeper Permissive 5922 1GQV ASN 84 E -7.231 8.51 -10.838 -4.614 5 931 3370 1044 278 Gatekeeper Permissive 5923 1GQV LEU 85 E -6.244 8.734 -9.527 -4.429 4 1054 3891 1041 287 Gatekeeper Inactive 5924 1GQV THR 86 E -5.789 7.798 -9.619 -4.321 2 1377 4550 1049 297 Gatekeeper Permissive 5925 1GQV THR 87 E -5.484 6.826 -9.811 -4.198 2 1538 5095 1051 292 Selective Permissive 5926 1GQV PRO 88 T -5.158 5.628 -10.155 -4.206 2 1683 5624 1037 290 Selective Inactive 5927 1GQV SER 89 T -5.15 5.538 -10.207 -4.203 2 1691 5650 1009 283 Selective Inactive 5928 1GQV PRO 90 T -5.227 5.066 -10.373 -4.177 2 1720 5768 975 291 Selective Inactive 5929 1GQV GLN 91 T -5.362 4.568 -10.568 -4.168 2 1582 5213 941 317 Selective Inactive 5930 1GQV ASN 92 T -5.595 4.181 -10.805 -4.245 2 1552 4893 920 351 Selective Inactive 5931 1GQV ILE 93 G -6.878 5.58 -12.212 -4.45 3 1488 4625 917 378 Gatekeeper Inactive 5932 1GQV SER 94 G -7.782 5.899 -13.643 -4.648 5 1485 4523 905 383 Gatekeeper Inactive 5933 1GQV ASN 95 G -8.358 6.179 -14.774 -5.15 6 1530 4491 931 467 Gatekeeper Inactive 5934 1GQV CYS 96 C -9.189 7.135 -15.711 -5.573 6 1598 4358 1008 591 Selective Gatekeeper 5935 1GQV ARG 97 E -10.447 9.918 -16.284 -5.677 6 1633 4106 1076 724 Selective Selective 5936 1GQV TYR 98 E -9.691 11.408 -13.083 -4.973 7 1572 3774 1160 845 Selective Selective 5937 1GQV ALA 99 E -7.621 6.443 -11.906 -4.175 5 1415 3289 1235 930 Gatekeeper Selective 5938 1GQV GLN 100 E -6.929 6.764 -11.586 -4.441 3 1381 2893 1322 1091 Gatekeeper Selective 5939 1GQV THR 101 E -6.585 7.134 -11.119 -4.34 3 1459 2650 1378 1208 Inactive Selective 5940 1GQV PRO 102 E -6.579 7.18 -11.127 -4.343 3 1617 2863 1420 1283 Permissive Selective 5941 1GQV ALA 103 E -6.581 7.16 -11.118 -4.34 3 1840 2883 1439 1302 Permissive Selective 5942 1GQV ASN 104 E -6.69 7.335 -10.966 -4.379 3 2143 3120 1436 1279 Selective Selective 5943 1GQV MET 105 E -7.056 7.699 -10.558 -4.222 4 2650 3467 1407 1234 Selective Selective 5944 1GQV PHE 106 C -9.255 11.509 -11.837 -4.627 5 3276 3981 1371 1178 Selective Selective 5945 1GQV TYR 107 E -12.384 17.478 -14.53 -5.354 8 3617 4106 1351 1148 Selective Selective 5946 1GQV ILE 108 E -11.786 12.77 -14.819 -4.576 7 3678 4092 1291 1043 Selective Selective 5947 1GQV VAL 109 E -10.181 9.054 -14.312 -4.474 6 3784 4342 1182 912 Selective Selective 5948 1GQV ALA 110 E -10.161 9.035 -14.432 -4.499 6 3900 4613 1066 771 Selective Selective 5949 1GQV CYS 111 E -10.142 8.965 -14.582 -4.535 6 3893 4938 942 638 Selective Gatekeeper 5950 1GQV ASP 112 E -10.034 8.505 -15.105 -4.658 6 3795 5254 820 535 Selective Inactive 5951 1GQV ASN 113 E -8.202 5.917 -13.364 -4.466 5 3715 5603 689 366 Selective Inactive 5952 1GQV ARG 114 C -8.211 5.815 -13.388 -4.466 5 3537 5825 592 237 Selective Inactive 5953 1GQV ASP 115 T -8.196 5.808 -13.468 -4.476 5 3447 6542 516 143 Selective Inactive 5954 1GQV GLN 116 T -8.187 5.797 -13.516 -4.474 5 3339 7589 477 94 Selective Inactive 5955 1GQV ARG 117 T -8.135 5.743 -13.6 -4.43 5 3057 8324 456 72 Selective Inactive 5956 1GQV ARG 118 T -9.137 5.603 -15.502 -4.377 5 2660 9176 468 66 Selective Inactive 5957 1GQV ASP 119 T -7.396 9.231 -10.751 -4.579 5 2203 9983 485 75 Selective Inactive 5958 1GQV PRO 120 T -5.65 8.424 -8.108 -3.963 2 2019 11105 523 96 Selective Inactive 5959 1GQV PRO 121 T -5.409 8.694 -8.095 -3.971 2 1932 11376 597 142 Selective Inactive 5960 1GQV GLN 122 T -5.396 8.77 -8.1 -3.97 2 - - - - - - 5961 1GQV TYR 123 T -5.396 8.774 -8.098 -3.97 2 - - - - - - 5962 1GQV PRO 124 T -5.414 8.762 -8.018 -3.947 2 - - - - - - 5963 1GQV VAL 125 E -6.013 9.438 -8.113 -3.977 2 - - - - - - 5964 1GQV VAL 126 E -7.573 12.284 -8.668 -3.87 4 - - - - - - 5965 1GQV PRO 127 E -8.796 14.18 -9.034 -3.33 4 - - - - - - 5966 1GQV VAL 128 E -8.899 14.01 -8.914 -3.24 4 - - - - - - 5967 1GQV HIS 129 E -9.535 14.898 -9.659 -3.56 4 - - - - - - 5968 1GQV LEU 130 E -9.729 15.761 -10.29 -4.184 7 - - - - - - 5969 1GQV ASP 131 E -8.365 11.211 -10.025 -3.885 4 - - - - - - 5970 1GQV ARG 132 E -8.365 11.211 -10.025 -3.885 4 - - - - - - 5971 1GQV ILE 133 E -8.365 11.211 -10.025 -3.885 4 - - - - - - 5972 1GQV ILE 134 C -8.365 11.211 -10.025 -3.885 4 - - - - - - 5973 1GR3 MET 549 G -3.507 5.168 -5.902 -3.087 1 - - - - - - 5974 1GR3 PRO 550 C -3.507 5.168 -5.902 -3.087 1 - - - - - - 5975 1GR3 VAL 551 C -3.507 5.168 -5.902 -3.087 1 - - - - - - 5976 1GR3 SER 552 C -3.507 5.168 -5.902 -3.087 1 - - - - - - 5977 1GR3 ALA 553 C -5.1 7.059 -7.772 -3.844 2 - - - - - - 5978 1GR3 PHE 554 E -8.99 13.487 -11.064 -4.944 7 - - - - - - 5979 1GR3 THR 555 E -10.294 16.669 -12.283 -5.432 7 - - - - - - 5980 1GR3 VAL 556 E -9.822 13.754 -11.382 -4.27 7 - - - - - - 5981 1GR3 ILE 557 E -8.629 11.994 -10.554 -4.231 4 - - - - - - 5982 1GR3 LEU 558 E -8.538 11.725 -10.801 -4.228 4 - - - - - - 5983 1GR3 SER 559 E -8.424 11.356 -11 -4.151 4 - - - - - - 5984 1GR3 LYS 560 C -7.797 10.124 -10.323 -3.812 4 - - - - - - 5985 1GR3 ALA 561 C -7.427 11.085 -9.359 -3.734 4 1987 9709 1169 625 Selective Permissive 5986 1GR3 TYR 562 C -7.007 10.973 -8.956 -3.842 4 2042 11385 1116 537 Selective Permissive 5987 1GR3 PRO 563 C -4.906 8.816 -6.444 -3.656 2 2378 12975 1054 456 Selective Inactive 5988 1GR3 ALA 564 C -4.57 8.509 -6.686 -3.683 2 2626 14279 1008 381 Selective Inactive 5989 1GR3 ILE 565 T -4.562 8.565 -6.687 -3.685 2 2671 15215 974 315 Selective Inactive 5990 1GR3 GLY 566 T -4.557 8.585 -6.698 -3.685 2 2669 15998 931 263 Selective Inactive 5991 1GR3 THR 567 T -4.562 8.564 -6.679 -3.683 2 2698 16173 896 215 Selective Inactive 5992 1GR3 PRO 568 E -5.027 8.336 -7.044 -3.719 2 2814 16486 850 181 Selective Inactive 5993 1GR3 ILE 569 E -6.684 11.879 -7.675 -3.767 4 2736 15627 797 160 Selective Inactive 5994 1GR3 PRO 570 C -7.143 11.297 -8.053 -3.732 4 2810 14713 729 140 Selective Inactive 5995 1GR3 PHE 571 C -8.979 15.069 -10.077 -4.496 7 2720 13133 664 113 Selective Inactive 5996 1GR3 ASP 572 C -8.267 12.208 -11.133 -5.024 5 2606 11465 582 78 Selective Inactive 5997 1GR3 LYS 573 C -8.219 12.236 -11.25 -5.048 5 2571 9856 503 53 Selective Inactive 5998 1GR3 ILE 574 E -8.107 11.986 -11.344 -4.949 5 2555 8209 440 42 Selective Inactive 5999 1GR3 LEU 575 E -8.123 11.893 -11.361 -4.961 5 2602 6605 392 41 Selective Inactive 6000 1GR3 TYR 576 E -8.218 11.454 -11.534 -4.991 5 2318 4963 365 41 Selective Inactive 6001 1GR3 ASN 577 E -8.939 11.291 -12.149 -4.72 5 2081 3744 357 50 Selective Inactive 6002 1GR3 ARG 578 T -9.126 10.779 -11.983 -4.507 5 2010 2784 366 73 Selective Inactive 6003 1GR3 GLN 579 T -11.142 9.36 -17.171 -5.406 6 1865 1871 402 109 Permissive Inactive 6004 1GR3 GLN 580 T -11.284 8.969 -17.34 -5.438 6 1710 1347 464 143 Permissive Inactive 6005 1GR3 HIS 581 T -11.561 9.059 -17.484 -5.564 6 1522 772 543 191 Permissive Inactive 6006 1GR3 TYR 582 T -10.154 10.055 -12.955 -4.034 5 1358 738 646 263 Permissive Inactive 6007 1GR3 ASP 583 E -6.371 6.157 -9.729 -3.741 2 1150 903 733 370 Permissive Inactive 6008 1GR3 PRO 584 E -6.305 6.426 -9.751 -3.733 2 904 1127 806 508 Permissive Inactive 6009 1GR3 ARG 585 T -6.303 6.448 -9.754 -3.734 2 806 1143 881 666 Inactive Inactive 6010 1GR3 THR 586 T -6.302 6.451 -9.755 -3.734 2 718 1349 947 884 Inactive Gatekeeper 6011 1GR3 GLY 587 T -6.303 6.446 -9.751 -3.734 2 624 2056 1006 1198 Inactive Gatekeeper 6012 1GR3 ILE 588 T -7.616 8.863 -9.974 -3.684 4 515 2629 1069 1576 Gatekeeper Gatekeeper 6013 1GR3 PHE 589 E -9.606 13.31 -11.071 -4.214 7 444 3611 1137 2072 Gatekeeper Selective 6014 1GR3 THR 590 E -10.265 12.188 -13.632 -4.808 7 597 4410 1210 2640 Gatekeeper Selective 6015 1GR3 CYS 591 E -9.802 10.389 -13.942 -4.872 6 722 5331 1253 3236 Gatekeeper Selective 6016 1GR3 GLN 592 E -9.389 11.763 -12.978 -4.834 7 963 6083 1262 3822 Selective Selective 6017 1GR3 ILE 593 T -9.384 11.81 -12.969 -4.831 7 1323 6965 1255 4323 Selective Selective 6018 1GR3 PRO 594 T -9.389 11.789 -12.955 -4.828 7 1597 7718 1232 4761 Selective Selective 6019 1GR3 GLY 595 T -9.478 11.935 -12.791 -4.833 7 1843 8269 1178 5135 Selective Selective 6020 1GR3 ILE 596 E -9.777 13.217 -12.077 -4.797 7 2483 8646 1162 5431 Selective Selective 6021 1GR3 TYR 597 E -12.081 17.011 -12.638 -4.603 7 2977 8768 1149 5642 Selective Selective 6022 1GR3 TYR 598 E -13.916 20.031 -14.563 -5.241 8 3147 8820 1123 5769 Selective Selective 6023 1GR3 PHE 599 E -14.793 22.141 -14.954 -5.469 8 3166 8658 1100 5786 Selective Gatekeeper 6024 1GR3 SER 600 E -15.384 19.912 -17.513 -5.661 8 3145 7915 1080 5675 Selective Gatekeeper 6025 1GR3 TYR 601 E -15.336 18.19 -18.217 -5.565 8 3107 7250 1041 5465 Selective Gatekeeper 6026 1GR3 HIS 602 E -13.439 15.094 -16.133 -5.174 8 3037 6181 993 5084 Selective Gatekeeper 6027 1GR3 VAL 603 E -10.616 14.125 -12.278 -4.707 7 2842 5280 941 4595 Selective Gatekeeper 6028 1GR3 HIS 604 E -9.187 12.544 -11.773 -4.934 7 2667 4313 909 4068 Selective Gatekeeper 6029 1GR3 VAL 605 E -8.056 11.293 -10.961 -4.85 4 2425 3536 898 3528 Selective Gatekeeper 6030 1GR3 LYS 606 E -7.754 11.104 -10.997 -4.817 4 2099 2699 896 3061 Selective Gatekeeper 6031 1GR3 GLY 607 E -7.713 11.216 -11.016 -4.81 4 1862 2013 908 2639 Permissive Gatekeeper 6032 1GR3 THR 608 E -7.717 11.2 -11.009 -4.81 4 1707 1784 933 2252 Permissive Gatekeeper 6033 1GR3 HIS 609 E -7.761 11.118 -10.955 -4.797 4 1150 1673 957 1908 Permissive Gatekeeper 6034 1GR3 VAL 610 E -8.186 11.224 -11.091 -4.748 5 670 1704 993 1611 Inactive Gatekeeper 6035 1GR3 TRP 611 E -9.231 13.178 -11.282 -4.656 7 522 1994 1047 1407 Inactive Gatekeeper 6036 1GR3 VAL 612 E -10.443 15.919 -11.275 -4.254 7 498 2073 1110 1225 Gatekeeper Selective 6037 1GR3 GLY 613 E -10.523 15.961 -11.147 -4.252 7 491 2420 1163 1074 Gatekeeper Selective 6038 1GR3 LEU 614 E -10.856 17.022 -10.672 -4.232 7 494 2630 1208 948 Gatekeeper Selective 6039 1GR3 TYR 615 E -9.63 12.08 -12.989 -5.412 6 525 2827 1243 856 Gatekeeper Selective 6040 1GR3 LYS 616 E -6.1 8.615 -9.363 -4.742 3 661 3270 1270 783 Gatekeeper Selective 6041 1GR3 ASN 617 E -4.735 7.416 -7.806 -4.213 2 730 3588 1295 719 Gatekeeper Selective 6042 1GR3 GLY 618 T -4.637 7.459 -7.888 -4.168 2 791 3756 1315 673 Gatekeeper Permissive 6043 1GR3 THR 619 T -4.627 7.521 -7.895 -4.164 2 809 3746 1327 641 Gatekeeper Permissive 6044 1GR3 PRO 620 E -4.626 7.525 -7.896 -4.164 2 780 3695 1335 620 Gatekeeper Permissive 6045 1GR3 VAL 621 E -4.678 7.428 -7.764 -4.112 2 705 3336 1335 620 Gatekeeper Permissive 6046 1GR3 MET 622 E -5.683 8.067 -8.346 -3.92 2 596 2810 1323 621 Gatekeeper Permissive 6047 1GR3 TYR 623 E -6.988 11.111 -8.433 -3.979 4 538 2409 1307 641 Gatekeeper Permissive 6048 1GR3 THR 624 E -8.607 12.732 -10.234 -4.404 4 512 2004 1276 633 Inactive Permissive 6049 1GR3 TYR 625 E -10.032 15.229 -12.881 -5.59 7 506 1854 1239 636 Inactive Permissive 6050 1GR3 ASP 626 E -9.857 12.314 -13.863 -5.378 6 491 1499 1203 615 Inactive Permissive 6051 1GR3 GLU 627 E -6.299 8.75 -9.458 -4.657 4 462 1267 1218 612 Inactive Permissive 6052 1GR3 TYR 628 C -4.623 6.997 -7.787 -4.198 2 430 1075 1237 625 Inactive Permissive 6053 1GR3 THR 629 C -2.763 5.931 -5.632 -3.951 1 295 628 1239 640 Inactive Permissive 6054 1GR3 LYS 630 B -2.747 5.938 -5.716 -3.962 1 253 337 1230 646 Inactive Permissive 6055 1GR3 GLY 631 T -2.747 5.938 -5.716 -3.962 1 196 174 1227 641 Inactive Permissive 6056 1GR3 TYR 632 T -2.748 5.931 -5.707 -3.96 1 218 170 1195 631 Inactive Permissive 6057 1GR3 LEU 633 B -2.773 5.886 -5.619 -3.949 1 248 144 1141 611 Inactive Permissive 6058 1GR3 ASP 634 C -4.879 6.066 -8.568 -4.297 2 257 166 1071 573 Inactive Inactive 6059 1GR3 GLN 635 E -8.054 7.303 -13.484 -5.119 3 280 204 997 523 Inactive Inactive 6060 1GR3 ALA 636 E -8.98 7.933 -14.744 -4.874 6 363 293 913 457 Inactive Inactive 6061 1GR3 SER 637 E -7.712 8.6 -11.423 -4.44 5 469 388 856 390 Inactive Inactive 6062 1GR3 GLY 638 E -7.34 9.409 -10.62 -4.261 4 509 429 805 343 Inactive Inactive 6063 1GR3 SER 639 E -7.149 9.973 -10.264 -4.217 4 574 450 777 318 Inactive Inactive 6064 1GR3 ALA 640 E -7.007 10.675 -9.788 -4.154 4 706 500 736 304 Inactive Inactive 6065 1GR3 ILE 641 E -6.943 10.883 -9.691 -4.143 4 796 509 728 314 Inactive Inactive 6066 1GR3 ILE 642 E -7.101 11.598 -9.289 -4.07 4 847 517 724 333 Inactive Inactive 6067 1GR3 ASP 643 E -7.227 11.663 -9.55 -4.18 4 879 516 730 360 Permissive Inactive 6068 1GR3 LEU 644 E -7.303 11.319 -10.119 -4.398 4 897 531 740 395 Permissive Inactive 6069 1GR3 THR 645 E -7.498 10.084 -11.475 -4.742 5 923 514 776 449 Permissive Inactive 6070 1GR3 GLU 646 T -7.698 9.211 -12.366 -5.01 5 974 562 831 536 Permissive Inactive 6071 1GR3 ASN 647 T -7.718 9.104 -12.379 -5.022 5 1006 609 920 687 Permissive Gatekeeper 6072 1GR3 ASP 648 T -7.977 9.282 -12.48 -5.157 5 1017 699 1037 900 Permissive Gatekeeper 6073 1GR3 GLN 649 E -8.71 8.282 -13.89 -5.415 6 1028 1021 1169 1176 Permissive Selective 6074 1GR3 VAL 650 E -10.579 10.175 -15.1 -5.338 6 998 1317 1274 1454 Permissive Selective 6075 1GR3 TRP 651 E -13.842 16.77 -16.869 -5.421 8 1039 1578 1367 1709 Permissive Selective 6076 1GR3 LEU 652 E -12.325 16.972 -13.529 -5.06 8 989 1679 1417 1836 Permissive Selective 6077 1GR3 GLN 653 E -10.759 13.543 -13.335 -4.958 7 882 1726 1451 1883 Permissive Selective 6078 1GR3 LEU 654 E -7.528 10.743 -9.507 -4.244 4 829 1861 1452 1901 Inactive Selective 6079 1GR3 PRO 655 E -6.219 8.784 -9.109 -4.294 4 813 2095 1451 1906 Gatekeeper Selective 6080 1GR3 ASN 656 C -5.888 8.054 -9.766 -4.523 3 787 2112 1448 1907 Gatekeeper Selective 6081 1GR3 ALA 657 T -5.829 7.914 -9.987 -4.558 3 779 2097 1434 1899 Gatekeeper Selective 6082 1GR3 GLU 658 T -5.828 7.919 -9.992 -4.559 3 689 2057 1412 1884 Gatekeeper Selective 6083 1GR3 SER 659 T -5.862 7.75 -10.022 -4.578 3 615 2009 1389 1830 Inactive Selective 6084 1GR3 ASN 660 T -6.258 6.997 -10.937 -4.843 3 571 1949 1362 1778 Inactive Selective 6085 1GR3 GLY 661 E -7.211 6.672 -12.109 -4.902 3 530 1819 1325 1729 Inactive Selective 6086 1GR3 LEU 662 E -9.505 11.454 -12.993 -5.154 6 446 1407 1296 1632 Inactive Selective 6087 1GR3 TYR 663 E -10.287 12.252 -14.121 -5.308 6 377 1018 1286 1534 Inactive Selective 6088 1GR3 SER 664 E -8.125 7.795 -12.342 -4.596 5 307 716 1280 1461 Inactive Selective 6089 1GR3 SER 665 C -6.25 7.938 -9.637 -4.431 4 310 596 1307 1548 Inactive Selective 6090 1GR3 GLU 666 B -6.169 8.089 -9.821 -4.505 3 309 504 1328 1695 Inactive Selective 6091 1GR3 TYR 667 T -6.169 8.091 -9.824 -4.505 3 302 587 1345 1848 Inactive Selective 6092 1GR3 VAL 668 T -6.169 8.089 -9.821 -4.505 3 - - - - - - 6093 1GR3 HIS 669 B -6.191 8.103 -9.728 -4.502 4 - - - - - - 6094 1GR3 SER 670 T -7.389 9.137 -11.106 -5.012 3 - - - - - - 6095 1GR3 SER 671 E -10.583 11.055 -14.592 -5.228 6 - - - - - - 6096 1GR3 PHE 672 E -12.596 15.917 -15.526 -5.126 8 - - - - - - 6097 1GR3 SER 673 E -11.681 18.448 -13.83 -6.228 8 - - - - - - 6098 1GR3 GLY 674 E -8.889 17.299 -9.293 -5.383 7 - - - - - - 6099 1GR3 PHE 675 E -7.308 16.318 -6.619 -4.41 4 - - - - - - 6100 1GR3 LEU 676 E -5.02 12.759 -4.187 -3.447 1 - - - - - - 6101 1GR3 VAL 677 E -3.358 9.785 -2.748 -2.685 1 - - - - - - 6102 1GR3 ALA 678 E -3.358 9.785 -2.748 -2.685 1 - - - - - - 6103 1GR3 PRO 679 E -3.358 9.785 -2.748 -2.685 1 - - - - - - 6104 1GR3 MET 680 E -3.358 9.785 -2.748 -2.685 1 - - - - - - 6105 1GSM VAL 1 C -5.74 6.235 -5.169 -1.383 1 - - - - - - 6106 1GSM LYS 2 T -5.74 6.235 -5.169 -1.383 1 - - - - - - 6107 1GSM PRO 3 T -5.74 6.235 -5.169 -1.383 1 - - - - - - 6108 1GSM LEU 4 E -5.74 6.235 -5.169 -1.383 1 - - - - - - 6109 1GSM GLN 5 E -6.859 6.825 -7.293 -2.206 1 - - - - - - 6110 1GSM VAL 6 E -8.019 9.259 -8.493 -2.628 4 - - - - - - 6111 1GSM GLU 7 E -8.254 7.393 -9.168 -2.153 4 - - - - - - 6112 1GSM PRO 8 T -7.271 7.921 -8.897 -2.895 4 - - - - - - 6113 1GSM PRO 9 T -6.995 7.813 -8.061 -2.372 2 - - - - - - 6114 1GSM GLU 10 T -6.957 7.932 -7.977 -2.32 2 - - - - - - 6115 1GSM PRO 11 T -6.97 8.106 -7.847 -2.293 2 - - - - - - 6116 1GSM VAL 12 E -6.985 8.293 -7.726 -2.295 2 - - - - - - 6117 1GSM VAL 13 E -7.386 8.654 -6.62 -1.534 1 5566 15363 1417 486 Selective Inactive 6118 1GSM ALA 14 E -7.884 11.248 -6.531 -1.739 4 5239 14011 1380 471 Selective Inactive 6119 1GSM VAL 15 E -7.661 9.962 -6.789 -1.757 4 4880 12572 1352 447 Selective Inactive 6120 1GSM ALA 16 E -7.208 7.774 -7.446 -1.935 1 4376 10890 1345 423 Selective Inactive 6121 1GSM LEU 17 T -7.217 7.658 -7.49 -1.944 1 3861 9441 1337 406 Selective Inactive 6122 1GSM GLY 18 T -7.22 7.553 -7.541 -1.951 1 3272 7883 1331 394 Selective Inactive 6123 1GSM ALA 19 b -7.293 7.086 -7.674 -1.955 1 2618 6148 1338 373 Selective Inactive 6124 1GSM SER 20 C -7.488 6.66 -7.879 -2.056 2 1952 4413 1333 352 Selective Inactive 6125 1GSM ARG 21 E -9.626 9.033 -12.391 -3.635 5 1108 2596 1337 343 Selective Inactive 6126 1GSM GLN 22 E -9.864 8.942 -13.321 -4.245 5 796 1502 1354 354 Inactive Inactive 6127 1GSM LEU 23 E -11.563 12.67 -12.015 -3.009 7 638 1010 1387 383 Inactive Inactive 6128 1GSM THR 24 E -11.839 12.861 -12.712 -3.325 7 397 391 1392 388 Inactive Inactive 6129 1GSM CYS 25 E -11.424 9.47 -13.547 -3.237 5 334 340 1376 390 Inactive Inactive 6130 1GSM ARG 26 E -9.197 7.618 -10.256 -2.593 5 325 271 1409 471 Inactive Inactive 6131 1GSM LEU 27 E -6.955 5.928 -8.131 -2.45 2 354 225 1458 570 Inactive Inactive 6132 1GSM ALA 28 C -4.645 2.803 -8.287 -3.183 1 348 221 1497 674 Inactive Inactive 6133 1GSM CYS 29 C -3.243 1.45 -5.55 -2.217 1 326 237 1498 795 Inactive Inactive 6134 1GSM ALA 30 C -3.094 1.653 -5.433 -2.103 1 328 219 1509 896 Inactive Inactive 6135 1GSM ASP 31 T -3.093 1.655 -5.436 -2.103 1 315 207 1529 1005 Inactive Permissive 6136 1GSM ARG 32 T -3.094 1.649 -5.432 -2.102 1 301 207 1525 1127 Inactive Permissive 6137 1GSM GLY 33 T -3.138 1.563 -5.206 -2.016 1 275 207 1534 1239 Inactive Selective 6138 1GSM ALA 34 T -3.987 2.357 -4.996 -1.687 1 281 202 1539 1343 Inactive Selective 6139 1GSM SER 35 E -7.182 4.423 -9.104 -2.342 1 290 192 1537 1425 Inactive Selective 6140 1GSM VAL 36 E -8.923 7.191 -9.526 -2.135 4 310 206 1522 1501 Inactive Selective 6141 1GSM GLN 37 E -12.821 10.805 -17.199 -5.106 8 334 201 1527 1602 Inactive Selective 6142 1GSM TRP 38 E -12.094 14.118 -15.764 -6.34 8 344 182 1545 1643 Inactive Selective 6143 1GSM ARG 39 E -9.071 7.412 -12.463 -4.04 5 317 185 1561 1575 Inactive Selective 6144 1GSM GLY 40 T -6.918 5.389 -9.354 -3.058 2 249 196 1559 1531 Inactive Selective 6145 1GSM LEU 41 T -6.194 4.2 -8.124 -2.182 1 246 224 1559 1478 Inactive Selective 6146 1GSM ASP 42 T -4.296 1.839 -6.421 -2.061 1 245 249 1572 1406 Inactive Selective 6147 1GSM THR 43 T -3.19 3.7 -5.866 -2.962 1 231 313 1594 1338 Inactive Selective 6148 1GSM SER 44 T -3.148 3.624 -5.867 -2.871 1 225 350 1611 1252 Inactive Selective 6149 1GSM LEU 45 T -3.136 3.634 -5.886 -2.865 1 232 397 1636 1163 Inactive Selective 6150 1GSM GLY 46 T -3.139 3.634 -5.882 -2.869 1 241 441 1653 1079 Inactive Permissive 6151 1GSM ALA 47 C -3.225 3.931 -5.803 -2.995 1 282 457 1658 1003 Inactive Permissive 6152 1GSM VAL 48 E -4.57 2.976 -6.184 -1.861 1 290 460 1666 934 Inactive Permissive 6153 1GSM GLN 49 E -5.395 4.239 -7.32 -2.599 1 303 442 1655 843 Inactive Permissive 6154 1GSM SER 50 E -6.836 4.593 -10.515 -3.096 1 304 427 1634 741 Inactive Permissive 6155 1GSM ASP 51 E -7.038 4.968 -10.698 -3.223 1 326 411 1594 687 Inactive Permissive 6156 1GSM THR 52 C -7.352 5.199 -11.232 -3.315 3 340 383 1525 667 Inactive Permissive 6157 1GSM GLY 53 C -7.416 5.304 -10.886 -3.175 2 358 343 1462 618 Inactive Inactive 6158 1GSM ARG 54 E -7.695 6.096 -10.461 -2.99 2 370 295 1384 571 Inactive Inactive 6159 1GSM SER 55 E -8.031 7.055 -10.389 -3.067 4 418 240 1314 524 Inactive Inactive 6160 1GSM VAL 56 E -7.528 9.67 -7.302 -2.429 4 484 252 1226 487 Inactive Inactive 6161 1GSM LEU 57 E -7.304 9.734 -6.915 -2.319 4 515 285 1136 449 Inactive Inactive 6162 1GSM THR 58 E -6.561 9.018 -7.799 -3.127 4 505 261 1061 407 Inactive Inactive 6163 1GSM VAL 59 E -6.553 8.996 -7.808 -3.107 4 496 251 976 359 Inactive Inactive 6164 1GSM ARG 60 T -6.547 8.988 -7.815 -3.095 4 453 310 898 309 Inactive Inactive 6165 1GSM ASN 61 T -6.633 8.74 -8.076 -3.234 2 432 361 812 264 Inactive Inactive 6166 1GSM ALA 62 b -6.731 8.715 -8.202 -3.388 4 394 446 740 234 Inactive Inactive 6167 1GSM SER 63 C -8.401 8.369 -9.567 -2.332 4 357 466 669 206 Inactive Inactive 6168 1GSM LEU 64 G -8.295 7.701 -9.789 -2.394 4 315 567 624 172 Inactive Inactive 6169 1GSM SER 65 G -8.349 7.038 -10.3 -2.47 5 315 798 584 141 Inactive Inactive 6170 1GSM ALA 66 G -8.369 7.027 -10.288 -2.489 5 373 1205 566 120 Inactive Inactive 6171 1GSM ALA 67 C -8.389 6.988 -10.285 -2.511 5 382 1437 571 116 Inactive Inactive 6172 1GSM GLY 68 E -8.564 6.437 -9.975 -2.236 2 362 1625 605 128 Inactive Inactive 6173 1GSM THR 69 E -9.383 5.64 -11.165 -2.329 5 351 1668 647 148 Inactive Inactive 6174 1GSM ARG 70 E -11.439 10.419 -13.353 -3.257 7 389 1761 708 187 Inactive Inactive 6175 1GSM VAL 71 E -11.202 8.537 -13.905 -3.295 5 479 1878 735 215 Inactive Inactive 6176 1GSM CYS 72 E -10.69 7.803 -14.52 -3.83 6 565 1966 783 258 Inactive Inactive 6177 1GSM VAL 73 E -9.369 7.282 -14.456 -4.79 6 638 1956 866 319 Inactive Inactive 6178 1GSM GLY 74 E -7.321 3.704 -12.218 -4.122 5 744 1978 969 389 Inactive Inactive 6179 1GSM SER 75 E -5.99 2.988 -9.054 -2.849 1 765 1903 1082 508 Inactive Inactive 6180 1GSM CYS 76 E -3.711 3.612 -5.303 -2.625 1 792 1907 1197 653 Inactive Inactive 6181 1GSM GLY 77 T -3.669 3.778 -5.34 -2.614 1 835 1822 1278 813 Inactive Inactive 6182 1GSM GLY 78 T -3.667 3.79 -5.352 -2.618 1 851 1599 1332 981 Inactive Inactive 6183 1GSM ARG 79 E -3.669 3.791 -5.338 -2.615 1 834 1198 1364 1149 Inactive Gatekeeper 6184 1GSM THR 80 E -3.679 3.807 -5.277 -2.613 1 945 990 1373 1308 Permissive Gatekeeper 6185 1GSM PHE 81 E -5.237 6.12 -5.979 -2.521 1 1038 1001 1346 1466 Permissive Gatekeeper 6186 1GSM GLN 82 E -7.123 8.125 -9.624 -3.927 4 1037 1025 1301 1626 Permissive Gatekeeper 6187 1GSM HIS 83 E -9.642 12.47 -9.001 -3.098 4 1013 1006 1244 1778 Permissive Gatekeeper 6188 1GSM THR 84 E -9.651 12.52 -8.936 -3.101 4 948 1004 1201 1905 Permissive Gatekeeper 6189 1GSM VAL 85 E -11.39 13.498 -11.24 -2.89 7 888 1023 1151 2012 Inactive Gatekeeper 6190 1GSM GLN 86 E -11.908 13.47 -11.905 -2.788 7 857 1079 1073 2102 Inactive Gatekeeper 6191 1GSM LEU 87 E -12.006 16.076 -10.369 -2.557 7 812 1154 991 2168 Inactive Gatekeeper 6192 1GSM LEU 88 E -11.928 17.284 -9.911 -2.676 7 860 1461 911 2181 Inactive Gatekeeper 6193 1GSM VAL 89 E -11.709 19.045 -8.34 -2.496 7 884 1833 867 2179 Inactive Gatekeeper 6194 1GSM TYR 90 E -11.758 19.507 -8.376 -2.667 7 903 2398 875 2144 Gatekeeper Gatekeeper 6195 1GSM ALA 91 B -10.515 12.828 -9.83 -2.846 4 896 2913 901 2080 Gatekeeper Gatekeeper 6196 1GSM PHE 92 C -10.381 12.965 -10.017 -2.965 7 877 3494 947 2009 Gatekeeper Gatekeeper 6197 1GSM PRO 93 C -10.104 12.112 -11.422 -3.63 7 953 4569 1003 1929 Selective Gatekeeper 6198 1GSM ASN 94 C -10.01 11.506 -11.729 -3.639 7 1070 5447 1064 1823 Selective Gatekeeper 6199 1GSM GLN 95 E -9.936 11.281 -11.696 -3.517 7 1308 6398 1152 1692 Selective Gatekeeper 6200 1GSM LEU 96 E -9.96 10.788 -11.714 -3.29 5 1945 7953 1257 1540 Selective Gatekeeper 6201 1GSM THR 97 E -8.262 6.94 -8.471 -1.722 2 2462 9379 1367 1441 Selective Gatekeeper 6202 1GSM VAL 98 E -6.414 8.76 -6.937 -2.722 1 2974 10890 1463 1338 Selective Gatekeeper 6203 1GSM SER 99 E -6.394 8.766 -6.935 -2.679 1 3504 12421 1539 1218 Selective Selective 6204 1GSM PRO 100 T -6.392 8.774 -6.938 -2.674 1 3899 13993 1592 1106 Selective Permissive 6205 1GSM ALA 101 T -6.389 8.793 -6.94 -2.673 1 4118 14763 1631 991 Selective Permissive 6206 1GSM ALA 102 T -6.366 9.131 -6.959 -2.788 1 4319 15358 1638 858 Selective Permissive 6207 1GSM LEU 103 B -6.191 10.713 -6.915 -3.576 4 4404 15554 1610 758 Selective Permissive 6208 1GSM VAL 104 T -5.505 7.519 -6.017 -2.436 1 4490 15706 1580 677 Selective Permissive 6209 1GSM PRO 105 T -5.492 7.502 -6.078 -2.445 1 4521 15705 1540 592 Selective Permissive 6210 1GSM GLY 106 T -5.491 7.497 -6.09 -2.446 1 4304 14713 1500 522 Selective Inactive 6211 1GSM ASP 107 T -5.501 7.414 -6.059 -2.425 1 4073 13774 1455 475 Selective Inactive 6212 1GSM PRO 108 C -5.7 6.121 -5.745 -1.942 1 3830 12876 1403 444 Selective Inactive 6213 1GSM GLU 109 E -7.656 7.041 -9.04 -2.819 2 3138 11192 1335 429 Selective Inactive 6214 1GSM VAL 110 E -8.795 8.02 -10.138 -2.927 5 2678 10033 1266 399 Selective Inactive 6215 1GSM ALA 111 E -10.235 10.175 -11.647 -2.972 5 2172 8846 1228 404 Selective Inactive 6216 1GSM CYS 112 E -10.259 10.173 -11.65 -3 5 1652 7780 1239 432 Selective Inactive 6217 1GSM THR 113 E -10.344 10.392 -11.207 -2.812 4 1268 6613 1269 477 Selective Inactive 6218 1GSM ALA 114 E -10.408 10.563 -10.995 -2.75 4 1043 6089 1298 534 Selective Inactive 6219 1GSM HIS 115 E -11.124 12.249 -12.887 -3.658 7 913 5725 1344 622 Gatekeeper Inactive 6220 1GSM LYS 116 E -10.01 13.534 -8.207 -2.379 4 845 5625 1403 705 Gatekeeper Inactive 6221 1GSM VAL 117 E -8.49 12.457 -6.245 -2.01 4 859 5716 1468 794 Gatekeeper Inactive 6222 1GSM THR 118 B -7.663 10.799 -7.995 -2.995 4 954 5849 1538 891 Selective Permissive 6223 1GSM PRO 119 T -6.273 6.94 -5.985 -1.738 1 1159 6466 1620 993 Selective Permissive 6224 1GSM VAL 120 T -5.768 6.225 -5.887 -1.652 1 1175 6523 1705 1097 Selective Permissive 6225 1GSM ASP 121 T -5.742 6.289 -5.943 -1.667 1 1219 6738 1781 1202 Selective Selective 6226 1GSM PRO 122 T -5.746 6.24 -5.951 -1.666 1 1275 7015 1871 1311 Selective Selective 6227 1GSM ASN 123 T -5.764 6.118 -5.871 -1.615 1 1234 6721 1947 1411 Selective Selective 6228 1GSM ALA 124 T -6.049 5.861 -5.932 -1.622 1 1219 6341 1993 1487 Selective Selective 6229 1GSM LEU 125 E -7.567 7.866 -7.346 -2.012 1 1174 5851 2010 1547 Selective Selective 6230 1GSM SER 126 E -9.254 8.752 -9.374 -2.221 4 1131 5406 2010 1587 Selective Selective 6231 1GSM PHE 127 E -11.225 14.366 -12.014 -4.104 7 1135 5023 2028 1622 Selective Selective 6232 1GSM SER 128 E -11.034 14.896 -13.28 -5.429 7 1051 4437 2031 1610 Selective Selective 6233 1GSM LEU 129 E -8.156 11.615 -8.553 -3.697 4 1024 3847 2039 1576 Selective Selective 6234 1GSM LEU 130 E -5.476 5.709 -6.307 -2.529 1 923 3133 2050 1530 Selective Selective 6235 1GSM VAL 131 E -4.272 4.134 -5.974 -2.62 1 766 2591 2059 1481 Gatekeeper Selective 6236 1GSM GLY 132 T -4.262 4.172 -6.016 -2.628 1 672 2431 2064 1422 Gatekeeper Selective 6237 1GSM GLY 133 T -4.196 4.496 -6.245 -2.781 1 660 2508 2078 1354 Gatekeeper Selective 6238 1GSM GLN 134 E -4.182 4.531 -6.27 -2.776 1 587 2265 2099 1286 Gatekeeper Selective 6239 1GSM GLU 135 E -4.07 5.363 -5.69 -2.699 1 542 2089 2086 1194 Inactive Selective 6240 1GSM LEU 136 T -4.581 7.766 -5.338 -2.77 1 502 2107 2061 1121 Inactive Permissive 6241 1GSM GLU 137 T -4.445 7.32 -5.413 -2.67 1 507 2202 2029 1052 Inactive Permissive 6242 1GSM GLY 138 T -4.422 7.398 -5.391 -2.683 1 549 2308 1981 999 Gatekeeper Permissive 6243 1GSM ALA 139 T -4.377 7.375 -5.387 -2.666 1 573 2290 1915 949 Gatekeeper Permissive 6244 1GSM GLN 140 E -4.583 6.778 -6.248 -2.774 1 591 2189 1842 892 Inactive Permissive 6245 1GSM ALA 141 E -4.635 6.632 -6.337 -2.804 1 630 2352 1761 865 Gatekeeper Permissive 6246 1GSM LEU 142 C -4.829 7.121 -6.511 -2.986 1 634 2400 1663 855 Gatekeeper Permissive 6247 1GSM GLY 143 C -5.112 6.782 -5.914 -2.447 1 765 2673 1566 837 Gatekeeper Permissive 6248 1GSM PRO 144 C -5.385 6.773 -5.894 -2.415 1 838 2691 1472 822 Gatekeeper Inactive 6249 1GSM GLU 145 E -6.397 7.5 -7.352 -2.641 1 918 2226 1376 806 Inactive Inactive 6250 1GSM VAL 146 E -6.558 7.732 -7.109 -2.638 1 1168 2088 1281 793 Permissive Inactive 6251 1GSM GLN 147 E -8.007 7.124 -11.797 -3.945 5 1434 2092 1213 788 Permissive Inactive 6252 1GSM GLU 148 E -7.631 6.768 -14.37 -6.586 6 1615 2042 1167 831 Permissive Inactive 6253 1GSM GLU 149 T -7.619 6.307 -15.769 -7.446 6 1902 2082 1170 874 Permissive Inactive 6254 1GSM GLU 150 T -6.433 4.388 -12.856 -5.541 3 2143 2098 1184 980 Permissive Inactive 6255 1GSM GLU 151 T -3.751 1.683 -6.232 -2.454 1 2327 2144 1233 1109 Permissive Inactive 6256 1GSM GLU 152 T -2.709 1.532 -5.104 -2.342 1 2457 2228 1308 1245 Selective Gatekeeper 6257 1GSM PRO 153 C -0.336 1.268 -4.239 -3.646 1 2545 2284 1369 1473 Selective Gatekeeper 6258 1GSM GLN 154 C -0.318 1.302 -4.369 -3.698 1 2594 2113 1416 1797 Permissive Gatekeeper 6259 1GSM GLY 155 C -0.316 1.312 -4.386 -3.704 1 2698 2051 1460 2141 Permissive Gatekeeper 6260 1GSM ASP 156 C -0.32 1.305 -4.351 -3.695 1 2744 1733 1512 2480 Permissive Gatekeeper 6261 1GSM GLU 157 C -0.342 1.264 -4.218 -3.648 1 2824 1547 1556 2796 Permissive Selective 6262 1GSM ASP 158 C -2.86 1.749 -5.586 -2.769 1 2713 1532 1597 3139 Permissive Selective 6263 1GSM VAL 159 C -4.168 3.88 -6.487 -3.084 1 2620 2023 1646 3464 Permissive Selective 6264 1GSM LEU 160 C -5.659 8.645 -9.961 -6.237 3 2500 2474 1663 3786 Selective Selective 6265 1GSM PHE 161 E -8.447 13.033 -11.718 -6.727 7 2458 3221 1675 4032 Selective Selective 6266 1GSM ARG 162 E -12.295 16.141 -15.019 -6.203 8 2317 3592 1669 4263 Selective Selective 6267 1GSM VAL 163 E -13.049 16.485 -12.417 -3.431 7 2367 4731 1679 4368 Selective Selective 6268 1GSM THR 164 E -13.818 16.869 -14.538 -4.17 7 2505 5945 1663 4406 Selective Selective 6269 1GSM GLU 165 E -14.029 16.968 -15.146 -4.547 8 2946 8072 1635 4413 Selective Selective 6270 1GSM ARG 166 E -14.169 17.359 -15.291 -4.786 8 3723 11068 1626 4269 Selective Selective 6271 1GSM TRP 167 E -12.335 18.028 -10.824 -3.681 7 4712 14313 1660 3972 Selective Selective 6272 1GSM ARG 168 E -9.179 16.401 -8.394 -4.382 4 5902 17321 1712 3635 Selective Selective 6273 1GSM LEU 169 C -5.655 13.271 -3.993 -3.316 1 6993 20631 1765 3346 Selective Selective 6274 1GSM PRO 170 C -3.892 8.731 -2.003 -1.787 1 7836 23854 1817 3100 Selective Selective 6275 1GSM PRO 171 C -2.902 5.938 -1.992 -1.544 1 8544 26389 1853 2880 Selective Selective 6276 1GSM LEU 172 C -2.627 6.668 -1.717 -1.596 1 8943 27794 1878 2747 Selective Selective 6277 1GSM GLY 173 T -1.987 6.427 -2.611 -2.457 1 9402 29119 1891 2687 Selective Selective 6278 1GSM THR 174 T -1.931 6.356 -2.539 -2.325 1 9654 29696 1902 2663 Selective Selective 6279 1GSM PRO 175 T -1.95 6.282 -2.565 -2.344 1 9851 30428 1881 2636 Selective Selective 6280 1GSM VAL 176 T -2.062 6.416 -2.654 -2.494 1 9675 29558 1865 2648 Selective Selective 6281 1GSM PRO 177 C -2.157 6.117 -2.878 -2.615 1 9388 28626 1831 2673 Selective Selective 6282 1GSM PRO 178 C -3.342 5.69 -1.825 -0.995 1 8809 26541 1827 2674 Selective Selective 6283 1GSM ALA 179 E -4.992 10.32 -3.763 -2.501 1 7895 23468 1827 2710 Selective Selective 6284 1GSM LEU 180 E -6.809 15.538 -5.033 -4.089 4 6809 20230 1804 2785 Selective Selective 6285 1GSM TYR 181 E -10.39 16.911 -9.312 -3.772 7 5476 17202 1764 2898 Selective Selective 6286 1GSM CYS 182 E -11.204 14.228 -12.191 -4.226 7 4182 13919 1714 2973 Selective Selective 6287 1GSM GLN 183 E -13.675 12.869 -16.772 -4.554 8 3166 10687 1667 2990 Selective Selective 6288 1GSM ALA 184 E -13.214 14.446 -15.277 -4.443 8 2368 8069 1626 2911 Selective Selective 6289 1GSM THR 185 E -12.657 15.437 -14.628 -4.861 8 1794 6042 1581 2720 Selective Selective 6290 1GSM MET 186 E -10.465 10.78 -10.645 -2.916 4 1176 4101 1542 2425 Selective Selective 6291 1GSM ARG 187 E -7.683 9.234 -7.207 -2.391 4 789 2722 1518 2148 Gatekeeper Gatekeeper 6292 1GSM LEU 188 E -4.904 10.429 -5.493 -3.898 2 495 1622 1518 1876 Inactive Gatekeeper 6293 1GSM PRO 189 T -4.837 10.127 -5.544 -3.734 2 473 1403 1516 1626 Inactive Gatekeeper 6294 1GSM GLY 190 T -4.796 9.919 -5.644 -3.67 2 451 904 1538 1412 Inactive Selective 6295 1GSM LEU 191 E -4.796 9.919 -5.644 -3.67 2 615 749 1550 1260 Inactive Selective 6296 1GSM GLU 192 E -4.8 9.926 -5.634 -3.679 2 722 703 1574 1157 Inactive Selective 6297 1GSM LEU 193 E -5.856 7.383 -6.408 -2.531 1 812 745 1596 1067 Inactive Permissive 6298 1GSM SER 194 E -6.388 7.086 -7.05 -2.779 1 - - - - - - 6299 1GSM HIS 195 E -8.888 11.449 -9.342 -3.242 4 - - - - - - 6300 1GSM ARG 196 E -8.866 11.548 -9.201 -3.163 4 - - - - - - 6301 1GSM GLN 197 E -9.507 11.127 -9.91 -2.758 4 - - - - - - 6302 1GSM ALA 198 E -8.699 13.35 -8.261 -3.206 4 - - - - - - 6303 1GSM ILE 199 E -7.781 13.487 -6.586 -3.132 4 - - - - - - 6304 1GSM PRO 200 E -5.827 8.858 -4.744 -2.203 1 - - - - - - 6305 1GSM VAL 201 B -4.004 7.252 -2.684 -1.736 1 - - - - - - 6306 1GSM LEU 202 T -2.562 4.413 -1.841 -1.244 1 - - - - - - 6307 1GSM ILE 203 T -1.077 3.435 -2.405 -2.213 1 - - - - - - 6308 1GSM GLU 204 T -1.077 3.435 -2.405 -2.213 1 - - - - - - 6309 1GSM GLY 205 T -1.077 3.435 -2.405 -2.213 1 - - - - - - 6310 1GSM ARG 206 C -1.077 3.435 -2.405 -2.213 1 - - - - - - 6311 1H6H ALA 2 H -3.591 1.175 -7.419 -2.619 1 - - - - - - 6312 1H6H VAL 3 H -3.591 1.175 -7.419 -2.619 1 - - - - - - 6313 1H6H ALA 4 H -3.591 1.175 -7.419 -2.619 1 - - - - - - 6314 1H6H GLN 5 H -3.591 1.175 -7.419 -2.619 1 - - - - - - 6315 1H6H GLN 6 H -4.826 2.136 -10.334 -3.808 2 - - - - - - 6316 1H6H LEU 7 H -5.458 2.086 -11.362 -4.234 2 - - - - - - 6317 1H6H ARG 8 H -7.096 2.863 -14.493 -5.036 3 - - - - - - 6318 1H6H ALA 9 H -7.79 3.307 -16.134 -5.711 6 - - - - - - 6319 1H6H GLU 10 H -8.185 3.751 -16.61 -6.016 6 - - - - - - 6320 1H6H SER 11 H -9.248 5.015 -18.028 -6.126 6 - - - - - - 6321 1H6H ASP 12 H -9.451 7.241 -16.28 -5.457 6 - - - - - - 6322 1H6H PHE 13 H -9.514 9.166 -14.351 -4.787 6 - - - - - - 6323 1H6H GLU 14 H -8.8 8.462 -12.796 -4.292 5 221 373 507 198 Inactive Inactive 6324 1H6H GLN 15 H -8.73 8.568 -12.798 -4.291 5 193 540 489 177 Inactive Inactive 6325 1H6H LEU 16 C -8.7 8.915 -12.619 -4.279 5 163 740 462 185 Inactive Inactive 6326 1H6H PRO 17 T -8.308 10.014 -11.429 -4.207 5 158 988 464 201 Inactive Inactive 6327 1H6H ASP 18 T -7.501 11.229 -9.369 -4.079 4 147 982 481 242 Inactive Inactive 6328 1H6H ASP 19 T -7.526 11.47 -9.196 -4.065 4 148 980 499 276 Inactive Inactive 6329 1H6H VAL 20 T -7.497 11.518 -9.153 -4.013 4 147 977 521 315 Inactive Inactive 6330 1H6H ALA 21 E -7.408 11.257 -9.272 -3.95 4 143 974 553 351 Inactive Inactive 6331 1H6H ILE 22 E -7.397 11.25 -9.245 -3.926 4 140 970 608 388 Inactive Inactive 6332 1H6H SER 23 E -7.853 10.39 -10.362 -3.785 4 128 940 671 424 Inactive Inactive 6333 1H6H ALA 24 E -7.212 9.58 -9.662 -3.85 4 124 914 758 455 Inactive Inactive 6334 1H6H ASN 25 E -6.602 10.355 -8.438 -3.899 4 120 850 853 489 Inactive Inactive 6335 1H6H ILE 26 E -6.464 10.643 -8.325 -3.924 4 104 759 942 532 Inactive Inactive 6336 1H6H ALA 27 E -6.332 10.945 -8.626 -4.236 4 100 680 1020 618 Inactive Inactive 6337 1H6H ASP 28 E -6.328 10.995 -8.653 -4.268 4 97 510 1105 740 Inactive Inactive 6338 1H6H ILE 29 E -6.257 11.235 -8.533 -4.334 4 132 334 1204 867 Inactive Inactive 6339 1H6H GLU 30 E -5.384 8.235 -8.53 -4.534 2 317 148 1290 1026 Inactive Inactive 6340 1H6H GLU 31 E -4.016 6.65 -7.24 -4.372 2 610 215 1391 1230 Inactive Selective 6341 1H6H LYS 32 E -2.993 5.397 -6.427 -4.073 1 777 254 1461 1490 Inactive Selective 6342 1H6H ARG 33 T -2.771 4.943 -6.677 -4.021 1 974 292 1508 1783 Inactive Selective 6343 1H6H GLY 34 T -2.771 4.939 -6.679 -4.021 1 1131 323 1555 2108 Inactive Selective 6344 1H6H PHE 35 T -2.778 4.909 -6.659 -4.015 1 1543 329 1597 2436 Permissive Selective 6345 1H6H THR 36 T -2.849 4.696 -6.589 -3.963 1 1906 325 1652 2787 Permissive Selective 6346 1H6H SER 37 T -3.468 3.879 -7.158 -3.855 1 2493 460 1701 3194 Permissive Selective 6347 1H6H HIS 38 E -7.227 6.194 -12.586 -5.163 3 3448 1121 1737 3602 Permissive Selective 6348 1H6H PHE 39 E -10.205 15.545 -15.932 -8.122 8 4379 1911 1764 3941 Selective Selective 6349 1H6H VAL 40 E -10.638 16.986 -15.799 -8.637 8 5136 2348 1814 4177 Selective Selective 6350 1H6H PHE 41 E -11.917 20.365 -10.559 -4.24 7 5520 2549 1844 4301 Selective Selective 6351 1H6H VAL 42 E -10.574 16.625 -10.82 -4.551 7 5724 2606 1884 4426 Selective Selective 6352 1H6H ILE 43 E -10.318 16.322 -11.272 -4.743 7 5802 2633 1956 4528 Selective Selective 6353 1H6H GLU 44 E -10.312 16.279 -11.35 -4.767 7 5977 2821 1993 4618 Selective Selective 6354 1H6H VAL 45 E -10.241 15.794 -11.749 -4.852 7 6324 3234 2042 4727 Selective Selective 6355 1H6H LYS 46 E -8.615 9.986 -13.011 -5.645 6 6805 3762 2095 4868 Selective Selective 6356 1H6H THR 47 E -7.027 8.243 -11.348 -5.181 3 7407 4688 2147 5095 Selective Selective 6357 1H6H LYS 48 T -6.066 7.653 -10.819 -5.324 3 7810 5758 2184 5338 Selective Selective 6358 1H6H GLY 49 T -5.839 7.807 -10.635 -5.233 3 8301 6838 2167 5566 Selective Selective 6359 1H6H GLY 50 T -5.838 7.816 -10.637 -5.232 3 8524 7600 2118 5725 Selective Selective 6360 1H6H SER 51 C -5.843 7.801 -10.616 -5.228 3 8538 7533 2057 5872 Selective Selective 6361 1H6H LYS 52 E -5.923 7.752 -10.528 -5.24 3 8523 7281 2010 6053 Selective Selective 6362 1H6H TYR 53 E -6.514 8.164 -10.252 -5.037 3 8736 7573 1947 6349 Selective Selective 6363 1H6H LEU 54 E -9.449 12.223 -11.819 -4.925 7 9199 7744 1881 6818 Selective Selective 6364 1H6H ILE 55 E -11.464 16.804 -12.102 -4.911 7 9742 7912 1805 7239 Selective Selective 6365 1H6H TYR 56 E -13.17 21.523 -12.785 -5.72 8 10355 7999 1720 7611 Selective Selective 6366 1H6H ARG 57 E -14.817 14.615 -18.271 -5.425 8 10588 7750 1653 7830 Selective Selective 6367 1H6H ARG 58 E -13.324 18.136 -14.261 -5.176 8 10522 7302 1605 7909 Selective Selective 6368 1H6H TYR 59 H -13.198 18.281 -14.429 -5.255 8 10093 6732 1564 7846 Selective Selective 6369 1H6H ARG 60 H -11.524 14.664 -13.281 -4.914 7 9450 5766 1501 7539 Selective Selective 6370 1H6H GLN 61 H -11.491 14.816 -13.332 -4.93 7 8731 4683 1442 7184 Selective Selective 6371 1H6H PHE 62 H -11.493 14.821 -13.318 -4.929 7 7905 3601 1430 6795 Selective Selective 6372 1H6H HIS 63 H -11.505 14.599 -13.391 -4.923 7 7107 2702 1440 6406 Selective Selective 6373 1H6H ALA 64 H -11.508 14.526 -13.41 -4.917 7 6156 2135 1450 5986 Selective Selective 6374 1H6H LEU 65 H -12.969 15.49 -15.618 -5.183 8 5254 1628 1443 5572 Selective Selective 6375 1H6H GLN 66 H -13.487 11.782 -18.391 -5.185 8 4315 941 1420 5040 Permissive Selective 6376 1H6H SER 67 H -10.847 10.754 -14.466 -4.91 6 3486 607 1401 4358 Permissive Selective 6377 1H6H LYS 68 H -10.744 10.936 -14.563 -4.926 6 2711 417 1370 3693 Permissive Selective 6378 1H6H LEU 69 H -10.743 10.959 -14.567 -4.93 6 1841 367 1323 3060 Permissive Gatekeeper 6379 1H6H GLU 70 H -10.715 11.015 -14.651 -4.949 6 1173 474 1288 2534 Inactive Gatekeeper 6380 1H6H GLU 71 H -10.49 10.771 -14.604 -4.815 6 750 661 1249 2074 Inactive Gatekeeper 6381 1H6H ARG 72 H -9.62 9.521 -13.358 -4.565 5 511 866 1212 1682 Inactive Gatekeeper 6382 1H6H PHE 73 H -7.18 8.673 -10.067 -4.309 4 406 1114 1200 1424 Inactive Gatekeeper 6383 1H6H GLY 74 T -3.466 1.536 -7.957 -3.602 1 392 1435 1195 1194 Inactive Gatekeeper 6384 1H6H PRO 75 T -3.45 1.559 -8.013 -3.598 1 423 1743 1187 989 Gatekeeper Inactive 6385 1H6H ASP 76 T -3.449 1.561 -8.021 -3.598 1 518 1863 1163 800 Gatekeeper Inactive 6386 1H6H SER 77 T -3.448 1.564 -8.029 -3.598 1 569 1899 1147 649 Gatekeeper Inactive 6387 1H6H LYS 78 T -3.435 1.593 -8.055 -3.585 1 708 2158 1156 505 Gatekeeper Inactive 6388 1H6H SER 79 T -5.078 3.1 -9.917 -3.359 2 873 2633 1190 434 Gatekeeper Inactive 6389 1H6H SER 80 G -5.397 3.654 -9.871 -3.303 2 963 3088 1249 408 Gatekeeper Inactive 6390 1H6H ALA 81 G -5.393 3.804 -9.791 -3.299 2 1093 3634 1316 402 Gatekeeper Inactive 6391 1H6H LEU 82 G -5.413 4.004 -9.658 -3.3 2 1183 4004 1376 407 Selective Permissive 6392 1H6H ALA 83 C -5.828 6.621 -9.589 -3.7 2 1307 4449 1432 420 Selective Permissive 6393 1H6H CYS 84 C -4.756 8.927 -5.844 -3.491 1 1342 4836 1490 437 Selective Permissive 6394 1H6H THR 85 C -4.264 10.761 -4.533 -3.447 1 1533 5428 1549 468 Selective Permissive 6395 1H6H LEU 86 C -4.264 10.842 -4.495 -3.45 1 1665 5870 1596 479 Selective Permissive 6396 1H6H PRO 87 C -4.231 10.933 -4.602 -3.495 1 1666 6139 1596 502 Selective Permissive 6397 1H6H THR 88 C -4.126 11.239 -5.018 -3.844 2 1626 5899 1564 531 Selective Permissive 6398 1H6H LEU 89 C -4.349 12.307 -4.768 -4.016 2 1527 5801 1570 588 Selective Permissive 6399 1H6H PRO 90 C -4.879 12.06 -7.111 -4.926 4 1476 5765 1606 678 Selective Permissive 6400 1H6H ALA 91 C -3.267 6.049 -5.616 -3.626 1 1323 5475 1621 746 Selective Permissive 6401 1H6H LYS 92 C -1.789 5.886 -4.356 -3.981 1 1126 4959 1624 787 Gatekeeper Permissive 6402 1H6H VAL 93 C -1.402 5.722 -4.52 -4.016 1 1034 4469 1605 839 Gatekeeper Permissive 6403 1H6H TYR 94 C -1.387 5.745 -4.594 -4.037 1 895 3864 1570 863 Gatekeeper Permissive 6404 1H6H VAL 95 C -1.387 5.744 -4.595 -4.037 1 790 3377 1546 865 Gatekeeper Permissive 6405 1H6H GLY 96 C -1.415 5.703 -4.515 -4.029 1 652 2825 1506 841 Gatekeeper Permissive 6406 1H6H VAL 97 C -1.861 5.068 -4.44 -3.718 1 596 2246 1448 809 Gatekeeper Permissive 6407 1H6H LYS 98 H -3.664 5.768 -6.86 -4.185 2 394 1451 1376 757 Inactive Permissive 6408 1H6H GLN 99 H -5.643 7.285 -10.234 -4.937 3 255 780 1293 716 Inactive Inactive 6409 1H6H GLU 100 H -6.247 8.745 -11.496 -5.822 3 164 198 1254 673 Inactive Inactive 6410 1H6H ILE 101 H -6.989 12.42 -12.784 -7.547 7 151 147 1237 619 Inactive Inactive 6411 1H6H ALA 102 H -7.757 12.84 -12.727 -6.865 7 144 130 1192 550 Inactive Inactive 6412 1H6H GLU 103 H -8.165 12.061 -11.928 -5.545 5 137 112 1124 446 Inactive Inactive 6413 1H6H MET 104 H -8.596 10.567 -11.276 -4.341 5 147 126 1083 395 Inactive Inactive 6414 1H6H ARG 105 H -9.941 11.238 -12.797 -4.035 7 163 152 1046 362 Inactive Inactive 6415 1H6H ILE 106 H -9.612 10.741 -12.226 -3.747 5 166 171 999 317 Inactive Inactive 6416 1H6H PRO 107 H -9.181 9.4 -12.291 -3.695 5 185 200 960 291 Inactive Inactive 6417 1H6H ALA 108 H -9.218 9.307 -12.195 -3.644 5 186 197 919 303 Inactive Inactive 6418 1H6H LEU 109 H -9.318 9.156 -12.172 -3.64 5 179 188 878 341 Inactive Inactive 6419 1H6H ASN 110 H -9.337 9.001 -12.188 -3.638 5 205 216 841 410 Inactive Inactive 6420 1H6H ALA 111 H -9.536 8.475 -12.423 -3.707 5 281 302 817 508 Inactive Inactive 6421 1H6H TYR 112 H -12.213 12.967 -15.001 -4.477 8 476 464 798 647 Inactive Inactive 6422 1H6H MET 113 H -11.594 14.634 -13.186 -4.396 7 620 495 767 757 Inactive Inactive 6423 1H6H LYS 114 H -10.067 12.088 -11.027 -3.52 7 716 497 736 860 Inactive Inactive 6424 1H6H SER 115 H -9.921 12.733 -10.839 -3.522 7 850 543 724 958 Inactive Inactive 6425 1H6H LEU 116 H -9.848 13.093 -10.702 -3.499 7 1078 662 701 1046 Inactive Inactive 6426 1H6H LEU 117 H -8.722 12.347 -9.294 -3.394 4 1159 673 680 1100 Inactive Gatekeeper 6427 1H6H SER 118 C -8.397 11.606 -9.655 -3.444 4 1233 664 671 1173 Permissive Gatekeeper 6428 1H6H LEU 119 C -8.334 11.8 -9.551 -3.434 4 1293 683 691 1253 Permissive Gatekeeper 6429 1H6H PRO 120 C -8.281 12.007 -9.466 -3.423 4 1381 788 727 1369 Permissive Gatekeeper 6430 1H6H VAL 121 H -8.28 12.018 -9.468 -3.427 4 1726 983 786 1525 Permissive Gatekeeper 6431 1H6H TRP 122 H -8.587 11.884 -9.753 -3.463 4 2245 1474 861 1691 Permissive Gatekeeper 6432 1H6H VAL 123 H -9.084 13.633 -9.328 -3.433 4 2676 1606 946 1860 Selective Gatekeeper 6433 1H6H LEU 124 H -9.529 14.342 -9.373 -3.514 4 3078 1654 1049 2053 Selective Gatekeeper 6434 1H6H MET 125 H -10.307 13.049 -12.87 -4.529 7 3259 1813 1162 2236 Selective Gatekeeper 6435 1H6H ASP 126 C -10.516 11.601 -14.018 -4.788 7 3345 2109 1261 2418 Selective Gatekeeper 6436 1H6H GLU 127 H -10.369 10.94 -14.253 -4.652 7 3398 2318 1364 2604 Selective Gatekeeper 6437 1H6H ASP 128 H -10.638 9.79 -15.008 -4.699 6 3427 2551 1442 2738 Selective Selective 6438 1H6H VAL 129 H -10.687 9.647 -14.927 -4.654 6 3432 2835 1534 2861 Selective Selective 6439 1H6H ARG 130 H -11.239 8.749 -15.191 -4.197 6 3633 3367 1605 2987 Selective Selective 6440 1H6H ILE 131 H -11.258 8.729 -15.099 -4.177 6 3774 3604 1660 3092 Selective Selective 6441 1H6H PHE 132 H -14.189 15.928 -16.257 -4.692 8 - - - - - - 6442 1H6H PHE 133 H -13.999 15.798 -16.81 -5.336 8 - - - - - - 6443 1H6H TYR 134 C -11.492 10.234 -16.088 -5.338 6 - - - - - - 6444 1H6H GLN 135 C -9.586 10.138 -17.043 -7.68 6 - - - - - - 6445 1H6H SER 136 C -8.425 9.019 -15.624 -7.29 6 - - - - - - 6446 1H6H PRO 137 H -7.455 9.23 -13.939 -6.967 6 - - - - - - 6447 1H6H TYR 138 H -7.303 9.162 -13.873 -6.805 6 - - - - - - 6448 1H6H ASP 139 H -7.006 8.145 -13.338 -6.147 3 - - - - - - 6449 1H6H SER 140 H -4.685 5.03 -8.069 -3.86 2 - - - - - - 6450 1H6H GLU 141 H -3.289 4.059 -5.821 -2.958 1 - - - - - - 6451 1H6H GLN 142 C -3.289 4.059 -5.821 -2.958 1 - - - - - - 6452 1H6H VAL 143 C -3.289 4.059 -5.821 -2.958 1 - - - - - - 6453 1H6H PRO 144 C -3.289 4.059 -5.821 -2.958 1 - - - - - - 6454 1HDO MET 1 C -2.857 4.706 -4.95 -2.926 1 - - - - - - 6455 1HDO ALA 2 C -2.857 4.706 -4.95 -2.926 1 - - - - - - 6456 1HDO VAL 3 C -2.857 4.706 -4.95 -2.926 1 - - - - - - 6457 1HDO LYS 4 C -2.857 4.706 -4.95 -2.926 1 - - - - - - 6458 1HDO LYS 5 E -6.536 6.918 -10.479 -4.377 3 - - - - - - 6459 1HDO ILE 6 E -8.466 10.803 -11.962 -5.128 5 - - - - - - 6460 1HDO ALA 7 E -9.908 15.247 -11.658 -4.737 7 - - - - - - 6461 1HDO ILE 8 E -9.512 16.871 -9.674 -4.414 7 - - - - - - 6462 1HDO PHE 9 E -8.722 14.818 -10.156 -4.795 7 - - - - - - 6463 1HDO GLY 10 T -8.433 12.849 -11.38 -5.009 7 - - - - - - 6464 1HDO ALA 11 T -8.363 12.652 -11.632 -5.096 7 - - - - - - 6465 1HDO THR 12 T -7.813 11.123 -12.256 -5.616 5 - - - - - - 6466 1HDO GLY 13 T -7.767 10.697 -12.502 -5.613 5 1192 2639 1533 1410 Selective Selective 6467 1HDO GLN 14 H -7.848 10.14 -12.895 -5.721 6 1145 2519 1520 1423 Selective Selective 6468 1HDO THR 15 H -7.922 10.26 -12.829 -5.76 6 1113 2430 1520 1420 Selective Selective 6469 1HDO GLY 16 H -7.955 10.165 -12.815 -5.766 6 1045 2346 1527 1397 Selective Selective 6470 1HDO LEU 17 H -8.841 10.054 -13.477 -5.177 6 880 2010 1526 1397 Selective Selective 6471 1HDO THR 18 H -9.512 11.96 -13.315 -5.028 7 764 1646 1538 1427 Selective Selective 6472 1HDO THR 19 H -9.763 12.265 -13.047 -4.871 7 579 1185 1581 1440 Inactive Selective 6473 1HDO LEU 20 H -10.424 13.083 -13.048 -4.57 7 489 872 1612 1410 Inactive Selective 6474 1HDO ALA 21 H -10.824 12.905 -13.261 -4.374 7 384 655 1629 1342 Inactive Selective 6475 1HDO GLN 22 H -10.522 9.58 -14.224 -4.194 6 351 416 1619 1264 Inactive Selective 6476 1HDO ALA 23 H -6.768 6.486 -9.891 -3.601 2 279 187 1597 1210 Inactive Selective 6477 1HDO VAL 24 H -6.674 6.961 -9.958 -3.696 2 235 126 1576 1164 Inactive Selective 6478 1HDO GLN 25 H -6.67 6.984 -9.988 -3.709 2 208 87 1542 1150 Inactive Selective 6479 1HDO ALA 26 H -6.667 7.002 -9.997 -3.713 2 230 81 1496 1124 Inactive Selective 6480 1HDO GLY 27 C -6.668 7.001 -9.992 -3.713 2 307 81 1444 1086 Inactive Permissive 6481 1HDO TYR 28 C -7.768 9.806 -10.581 -4.321 4 414 19 1379 1054 Inactive Permissive 6482 1HDO GLU 29 E -9.36 11.1 -13.798 -5.309 6 499 28 1318 1037 Inactive Permissive 6483 1HDO VAL 30 E -9.877 12.886 -12.55 -4.738 7 626 53 1266 1017 Inactive Permissive 6484 1HDO THR 31 E -10.37 15.017 -11.455 -3.998 7 690 66 1221 954 Permissive Inactive 6485 1HDO VAL 32 E -9.836 13.726 -11.047 -3.806 7 760 118 1165 888 Permissive Inactive 6486 1HDO LEU 33 E -9.293 12.713 -11.094 -3.937 4 863 424 1113 818 Permissive Inactive 6487 1HDO VAL 34 E -7.631 8.635 -10.294 -3.766 4 886 582 1075 762 Permissive Inactive 6488 1HDO ARG 35 T -6.956 7.767 -10.476 -3.922 4 1003 1254 1057 716 Permissive Inactive 6489 1HDO ASP 36 T -6.642 8.52 -10.131 -4.057 4 1143 2101 1055 673 Selective Inactive 6490 1HDO SER 37 G -6.622 8.601 -10.156 -4.065 4 1228 2795 1058 637 Selective Inactive 6491 1HDO SER 38 G -6.619 8.605 -10.172 -4.07 4 1298 3618 1075 603 Selective Inactive 6492 1HDO ARG 39 G -6.673 8.763 -10.195 -4.135 4 1413 4596 1102 559 Selective Inactive 6493 1HDO LEU 40 C -4.805 7.12 -7.568 -3.923 2 1751 5821 1122 504 Selective Inactive 6494 1HDO PRO 41 C -3.955 5.881 -7.224 -3.766 2 1987 7206 1155 461 Selective Inactive 6495 1HDO SER 42 C -3.806 5.875 -7.25 -3.692 1 2070 7979 1194 436 Selective Inactive 6496 1HDO GLU 43 C -3.792 5.95 -7.258 -3.69 2 2123 8782 1226 409 Selective Inactive 6497 1HDO GLY 44 C -3.79 5.964 -7.259 -3.688 2 2324 9692 1236 401 Selective Inactive 6498 1HDO PRO 45 C -3.905 5.728 -7.202 -3.638 1 2332 10097 1236 408 Selective Inactive 6499 1HDO ARG 46 C -4.621 6.256 -7.379 -3.446 2 2243 9852 1208 423 Selective Inactive 6500 1HDO PRO 47 T -5.829 9.325 -7.785 -3.592 2 2313 9969 1179 444 Selective Inactive 6501 1HDO ALA 48 T -6.357 10.105 -8.572 -3.684 4 2202 9321 1129 458 Selective Inactive 6502 1HDO HIS 49 E -6.348 9.616 -9.035 -3.858 4 2062 8493 1060 469 Selective Inactive 6503 1HDO VAL 50 E -6.047 9.559 -9 -4.024 4 1992 7846 990 469 Selective Inactive 6504 1HDO VAL 51 E -6.068 9.476 -8.99 -4.016 4 1905 7048 918 463 Selective Inactive 6505 1HDO VAL 52 E -6.08 9.403 -9.105 -4.077 4 1744 6079 846 459 Selective Inactive 6506 1HDO GLY 53 C -6.205 9.5 -9.385 -4.257 4 1334 4866 779 458 Selective Inactive 6507 1HDO ASP 54 T -6.342 9.795 -9.365 -4.326 4 972 3482 708 447 Selective Inactive 6508 1HDO VAL 55 T -6.845 10.181 -10.106 -4.301 4 816 2819 629 421 Selective Inactive 6509 1HDO LEU 56 T -6.755 9.512 -10.369 -4.297 4 634 2026 549 386 Selective Inactive 6510 1HDO GLN 57 T -6.883 9.089 -10.668 -4.273 4 375 1165 481 346 Inactive Inactive 6511 1HDO ALA 58 H -7.096 8.637 -10.843 -4.119 4 306 859 408 300 Inactive Inactive 6512 1HDO ALA 59 H -7.214 8.301 -10.943 -4.094 4 288 893 361 255 Inactive Inactive 6513 1HDO ASP 60 H -7.495 7.634 -11.528 -4.256 5 194 691 317 214 Inactive Inactive 6514 1HDO VAL 61 H -8.406 8.363 -12.142 -4.125 5 243 769 309 180 Inactive Inactive 6515 1HDO ASP 62 H -9.229 9.772 -13.298 -4.341 5 462 895 327 159 Inactive Inactive 6516 1HDO LYS 63 H -7.634 9.548 -10.583 -4.397 4 825 1079 347 154 Permissive Inactive 6517 1HDO THR 64 H -7.572 9.648 -10.735 -4.46 4 1020 1326 375 148 Permissive Inactive 6518 1HDO VAL 65 H -7.544 9.635 -10.859 -4.483 4 1239 1554 415 137 Selective Inactive 6519 1HDO ALA 66 T -7.521 9.559 -10.993 -4.508 5 1371 1664 479 122 Selective Inactive 6520 1HDO GLY 67 T -7.528 9.549 -10.982 -4.513 5 1510 1813 552 126 Selective Inactive 6521 1HDO GLN 68 T -8.477 9.756 -13.024 -4.972 5 1647 1791 649 149 Selective Inactive 6522 1HDO ASP 69 C -8.855 9.44 -13.557 -4.893 5 1725 1816 753 181 Selective Inactive 6523 1HDO ALA 70 E -9.157 9.842 -13.435 -4.782 5 1849 1856 866 231 Selective Inactive 6524 1HDO VAL 71 E -9.86 13.635 -11.842 -4.219 7 1970 1976 985 293 Selective Inactive 6525 1HDO ILE 72 E -9.078 16.527 -8.804 -4.221 4 2035 2119 1061 335 Selective Inactive 6526 1HDO VAL 73 E -8.839 16.056 -9.271 -4.38 4 2041 2201 1134 371 Selective Inactive 6527 1HDO LEU 74 C -8.769 15.623 -9.752 -4.549 7 1981 2246 1188 393 Selective Inactive 6528 1HDO LEU 75 C -7.582 10.092 -11.073 -4.846 4 1741 2173 1203 404 Selective Inactive 6529 1HDO GLY 76 C -5.467 5.056 -10.857 -4.986 3 1359 2045 1220 408 Selective Inactive 6530 1HDO THR 77 T -5.436 5.151 -10.895 -4.974 3 1162 1794 1216 421 Selective Inactive 6531 1HDO ARG 78 T -5.43 5.148 -10.917 -4.967 3 972 1648 1196 431 Selective Inactive 6532 1HDO ASN 79 T -4.804 5.195 -9.395 -4.201 2 847 1660 1163 443 Selective Inactive 6533 1HDO ASP 80 T -4.802 5.19 -9.396 -4.195 2 711 1538 1116 438 Permissive Inactive 6534 1HDO LEU 81 C -5.014 5.403 -8.754 -3.838 2 574 1502 1062 427 Inactive Inactive 6535 1HDO SER 82 C -4.934 5.753 -8.71 -3.865 2 513 1494 1039 438 Inactive Inactive 6536 1HDO PRO 83 C -4.927 5.853 -8.707 -3.882 2 431 1453 1001 446 Inactive Inactive 6537 1HDO THR 84 C -5.89 8.429 -9.216 -4.245 4 315 1185 955 433 Inactive Inactive 6538 1HDO THR 85 H -5.931 8.482 -9.098 -4.255 2 261 956 944 428 Inactive Inactive 6539 1HDO VAL 86 H -5.998 8.414 -8.967 -4.243 2 251 802 936 434 Inactive Inactive 6540 1HDO MET 87 H -7.326 11.567 -9.713 -4.96 4 240 655 917 442 Inactive Inactive 6541 1HDO SER 88 H -10.008 11.5 -14.741 -5.363 6 259 593 940 460 Inactive Inactive 6542 1HDO GLU 89 H -10.078 10.318 -15.128 -5.091 6 265 490 960 486 Inactive Inactive 6543 1HDO GLY 90 H -10.088 10.344 -14.763 -4.809 6 273 487 1003 499 Inactive Inactive 6544 1HDO ALA 91 H -10.116 10.409 -14.578 -4.705 6 244 393 1057 513 Inactive Inactive 6545 1HDO ARG 92 H -10.081 10.512 -14.406 -4.606 6 231 269 1113 530 Inactive Inactive 6546 1HDO ASN 93 H -9.958 11.485 -13.208 -4.254 7 224 242 1154 550 Inactive Inactive 6547 1HDO ILE 94 H -9.776 12.94 -11.863 -4.031 7 220 177 1193 570 Inactive Inactive 6548 1HDO VAL 95 H -9.764 12.885 -11.874 -4.018 7 208 127 1218 569 Inactive Inactive 6549 1HDO ALA 96 H -9.252 10.751 -12.381 -4.109 5 164 68 1230 550 Inactive Inactive 6550 1HDO ALA 97 H -9.216 10.768 -12.455 -4.147 5 150 66 1273 580 Inactive Permissive 6551 1HDO MET 98 H -8.283 8.989 -12.531 -4.78 5 139 57 1321 679 Inactive Permissive 6552 1HDO LYS 99 H -7.222 7.759 -11.065 -4.28 5 131 61 1375 846 Inactive Permissive 6553 1HDO ALA 100 H -6.826 7.453 -11.04 -4.263 3 131 64 1441 1105 Inactive Selective 6554 1HDO HIS 101 H -6.829 7.45 -11.041 -4.27 3 119 55 1474 1346 Inactive Selective 6555 1HDO GLY 102 C -6.827 7.462 -11.047 -4.273 3 146 89 1500 1573 Inactive Selective 6556 1HDO VAL 103 C -6.87 7.374 -10.935 -4.225 3 207 89 1492 1809 Inactive Selective 6557 1HDO ASP 104 C -7.238 7.215 -11.076 -4.264 3 432 143 1443 2018 Inactive Selective 6558 1HDO LYS 105 E -9.533 10.756 -13.82 -5.167 6 558 154 1376 2206 Inactive Selective 6559 1HDO VAL 106 E -9.753 12.354 -12.715 -4.742 7 664 305 1325 2407 Permissive Selective 6560 1HDO VAL 107 E -10.167 13.532 -12.235 -4.417 7 766 437 1275 2607 Permissive Selective 6561 1HDO ALA 108 E -10.062 13.106 -12.578 -4.471 7 892 570 1228 2807 Permissive Gatekeeper 6562 1HDO CYS 109 E -10.07 13.104 -12.561 -4.473 7 1032 725 1224 2986 Permissive Gatekeeper 6563 1HDO THR 110 C -10.04 13.353 -12.531 -4.505 7 1332 1312 1226 3117 Permissive Gatekeeper 6564 1HDO SER 111 C -10.462 13.298 -13.577 -4.793 7 1925 2892 1245 3159 Selective Selective 6565 1HDO ALA 112 G -10.73 14.222 -13.567 -4.915 7 2429 4363 1266 3111 Selective Selective 6566 1HDO PHE 113 G -11.17 18.326 -12.759 -5.331 7 2903 5826 1277 2953 Selective Selective 6567 1HDO LEU 114 G -10.629 17.326 -12.889 -5.592 7 3085 6723 1307 2787 Selective Selective 6568 1HDO LEU 115 C -9.015 12.181 -11.796 -4.855 7 3150 7482 1353 2571 Selective Selective 6569 1HDO TRP 116 C -6.864 7.879 -10.301 -4.313 4 3146 8292 1432 2358 Selective Selective 6570 1HDO ASP 117 T -3.903 5.628 -6.789 -3.688 1 3059 9060 1521 2220 Selective Selective 6571 1HDO PRO 118 T -3.841 5.904 -6.788 -3.671 1 3057 9810 1605 2171 Selective Selective 6572 1HDO THR 119 T -3.752 6.172 -6.777 -3.651 1 2975 9838 1691 2159 Selective Selective 6573 1HDO LYS 120 T -3.714 6.327 -6.759 -3.626 1 2876 9791 1750 2217 Selective Selective 6574 1HDO VAL 121 T -3.7 6.428 -6.722 -3.606 1 2772 9761 1793 2351 Selective Selective 6575 1HDO PRO 122 C -4.424 8.368 -6.618 -3.414 1 2641 9654 1825 2613 Selective Selective 6576 1HDO PRO 123 G -4.607 8.362 -6.568 -3.378 1 2349 9066 1819 2953 Selective Selective 6577 1HDO ARG 124 G -5.13 9.133 -6.393 -3.179 1 1778 7486 1817 3456 Selective Selective 6578 1HDO LEU 125 G -5.789 10.056 -6.227 -3.074 1 1287 6009 1794 3990 Selective Selective 6579 1HDO GLN 126 H -7.619 8.935 -10.808 -4.041 4 817 4542 1776 4575 Selective Selective 6580 1HDO ALA 127 H -9.031 9.777 -11.733 -3.891 5 663 3642 1758 5261 Selective Selective 6581 1HDO VAL 128 H -11.119 12.578 -14.986 -4.724 7 576 2849 1745 6158 Gatekeeper Selective 6582 1HDO THR 129 H -11.37 12.041 -16.108 -5.132 8 538 2021 1734 7046 Gatekeeper Selective 6583 1HDO ASP 130 H -11.523 11.456 -16.638 -5.264 8 438 1197 1741 7775 Inactive Selective 6584 1HDO ASP 131 H -11.848 11.507 -17.118 -5.478 8 339 427 1776 8305 Inactive Selective 6585 1HDO HIS 132 H -11.999 11.562 -17.188 -5.602 8 327 246 1807 8699 Inactive Selective 6586 1HDO ILE 133 H -12.369 10.945 -17.572 -5.569 8 327 158 1845 8886 Inactive Selective 6587 1HDO ARG 134 H -13.697 10.968 -19.648 -5.691 8 304 53 1885 8983 Inactive Selective 6588 1HDO MET 135 H -13.839 16.128 -17.362 -5.807 8 290 3 1918 8962 Inactive Selective 6589 1HDO HIS 136 H -12.852 15.034 -15.708 -5.174 8 280 3 1938 8792 Inactive Selective 6590 1HDO LYS 137 H -10.302 12.017 -12.86 -4.593 7 265 4 1937 8396 Inactive Selective 6591 1HDO VAL 138 H -10.276 12.093 -12.938 -4.61 7 266 6 1918 7928 Inactive Selective 6592 1HDO LEU 139 H -9.608 10.822 -13.715 -5.091 6 256 25 1886 7391 Inactive Selective 6593 1HDO ARG 140 H -8.861 9.616 -13.815 -5.353 6 282 365 1846 6730 Inactive Selective 6594 1HDO GLU 141 H -8.761 9.431 -14.102 -5.424 6 307 525 1786 5898 Inactive Selective 6595 1HDO SER 142 C -8.805 9.24 -14.208 -5.491 6 335 790 1717 5065 Inactive Selective 6596 1HDO GLY 143 C -8.805 9.243 -14.208 -5.491 6 391 1386 1651 4362 Inactive Selective 6597 1HDO LEU 144 C -8.918 9.039 -14.233 -5.527 6 494 1948 1566 3801 Gatekeeper Selective 6598 1HDO LYS 145 E -9.838 8.665 -15.641 -5.785 6 553 2421 1504 3326 Gatekeeper Selective 6599 1HDO TYR 146 E -11.797 14.124 -15.241 -5.374 8 716 3517 1450 2968 Selective Selective 6600 1HDO VAL 147 E -11.335 14.768 -12.735 -4.252 7 919 4510 1379 2576 Selective Selective 6601 1HDO ALA 148 E -10.781 14.978 -11.366 -3.839 7 1080 5325 1318 2177 Selective Selective 6602 1HDO VAL 149 E -10.285 14.555 -11.199 -3.844 7 1237 6265 1269 1850 Selective Selective 6603 1HDO MET 150 C -9.074 13.909 -9.971 -4.079 4 1399 7192 1208 1601 Selective Gatekeeper 6604 1HDO PRO 151 C -7.239 10.662 -8.624 -3.739 4 1521 8285 1180 1401 Selective Gatekeeper 6605 1HDO PRO 152 C -6.813 9.56 -9.362 -3.94 4 1545 8656 1181 1251 Selective Gatekeeper 6606 1HDO HIS 153 E -6.71 9.32 -9.819 -4.116 4 1508 8440 1181 1142 Selective Gatekeeper 6607 1HDO ILE 154 E -6.582 8.974 -10.252 -4.278 4 1505 8508 1188 1053 Selective Inactive 6608 1HDO GLY 155 E -5.729 7.907 -10.051 -4.829 3 1536 8519 1180 961 Selective Inactive 6609 1HDO ASP 156 C -5.37 8.154 -9.647 -4.889 3 1448 7955 1166 852 Selective Inactive 6610 1HDO GLN 157 C -5.284 8.251 -9.669 -4.934 3 1337 7523 1150 722 Selective Inactive 6611 1HDO PRO 158 C -3.973 7.331 -7.065 -4.279 2 1275 7220 1121 589 Selective Inactive 6612 1HDO LEU 159 C -3.97 7.366 -7.065 -4.283 2 1105 6170 1081 472 Selective Inactive 6613 1HDO THR 160 C -3.993 7.367 -6.954 -4.255 2 973 5515 1057 397 Selective Inactive 6614 1HDO GLY 161 C -4.02 7.32 -6.849 -4.225 2 870 5092 1021 354 Selective Inactive 6615 1HDO ALA 162 C -4.032 7.29 -6.786 -4.209 2 756 4346 1001 318 Selective Inactive 6616 1HDO TYR 163 C -6.527 12.136 -9.046 -4.862 4 637 3610 999 293 Selective Inactive 6617 1HDO THR 164 E -6.954 11.912 -9.525 -4.724 4 583 2753 1005 277 Gatekeeper Inactive 6618 1HDO VAL 165 E -6.965 10.987 -9.798 -4.546 4 591 2532 1024 270 Gatekeeper Inactive 6619 1HDO THR 166 E -6.804 7.682 -10.852 -4.239 3 588 2471 1038 269 Gatekeeper Inactive 6620 1HDO LEU 167 T -5.253 5.998 -9.185 -4.186 2 565 2286 1066 300 Gatekeeper Inactive 6621 1HDO ASP 168 T -4.897 5.8 -9.247 -4.188 2 508 2100 1110 384 Gatekeeper Inactive 6622 1HDO GLY 169 T -4.881 5.794 -9.314 -4.199 2 509 2096 1172 549 Gatekeeper Inactive 6623 1HDO ARG 170 C -4.884 5.762 -9.315 -4.194 2 482 1970 1236 803 Gatekeeper Inactive 6624 1HDO GLY 171 C -4.892 5.771 -9.294 -4.2 2 476 1805 1294 1163 Gatekeeper Selective 6625 1HDO PRO 172 C -5.309 5.661 -9.535 -4.218 2 470 1761 1363 1626 Gatekeeper Selective 6626 1HDO SER 173 C -6.708 6.618 -11.59 -4.484 3 396 1423 1442 2221 Inactive Selective 6627 1HDO ARG 174 C -7.293 7.92 -11.403 -4.376 5 347 1031 1520 2881 Inactive Selective 6628 1HDO VAL 175 E -7.634 8.584 -11.152 -4.48 5 326 839 1599 3675 Inactive Selective 6629 1HDO ILE 176 E -9.709 12.118 -12.532 -4.358 7 299 646 1664 4608 Inactive Selective 6630 1HDO SER 177 E -10.205 12.539 -13.473 -4.785 7 251 408 1753 5517 Inactive Selective 6631 1HDO LYS 178 H -10.248 13.13 -13.629 -5.12 7 234 240 1823 6409 Inactive Selective 6632 1HDO HIS 179 H -10.734 13.007 -15.041 -5.574 8 229 177 1894 7309 Inactive Selective 6633 1HDO ASP 180 H -10.946 12.874 -15.456 -5.733 8 253 138 1967 8073 Inactive Selective 6634 1HDO LEU 181 H -10.885 13.408 -15.139 -5.691 8 269 54 2051 8678 Inactive Selective 6635 1HDO GLY 182 H -10.891 13.543 -15.04 -5.674 8 278 28 2097 9084 Inactive Selective 6636 1HDO HIS 183 H -11.449 14.507 -14.962 -5.388 8 389 31 2129 9295 Inactive Selective 6637 1HDO PHE 184 H -11.715 16.18 -14.235 -5.385 8 446 42 2157 9313 Inactive Selective 6638 1HDO MET 185 H -11.851 16.554 -14.046 -5.419 8 449 40 2154 9138 Inactive Selective 6639 1HDO LEU 186 H -11.814 14.172 -14.756 -5.05 8 449 40 2125 8747 Inactive Selective 6640 1HDO ARG 187 H -10.801 11.304 -14.729 -5.031 6 441 40 2064 8229 Inactive Selective 6641 1HDO CYS 188 H -9.51 9.634 -14.01 -5.112 6 422 38 1995 7579 Inactive Selective 6642 1HDO LEU 189 T -8.684 9.498 -13.205 -5.109 6 397 40 1933 6774 Inactive Selective 6643 1HDO THR 190 T -8.286 10.067 -12.997 -5.341 6 360 41 1847 6006 Inactive Selective 6644 1HDO THR 191 T -8.206 10.215 -13.074 -5.401 6 341 41 1766 5237 Inactive Selective 6645 1HDO ASP 192 T -8.064 10.258 -13.152 -5.499 6 324 42 1697 4476 Inactive Selective 6646 1HDO GLU 193 T -8.084 10.345 -13.143 -5.533 6 - - - - - - 6647 1HDO TYR 194 T -8.26 10.707 -13.242 -5.688 6 - - - - - - 6648 1HDO ASP 195 T -8.242 9.513 -13.592 -5.501 6 - - - - - - 6649 1HDO GLY 196 T -8.321 9.282 -13.596 -5.451 6 - - - - - - 6650 1HDO HIS 197 T -8.568 8.685 -13.652 -5.255 6 - - - - - - 6651 1HDO SER 198 E -8.632 8.455 -13.579 -5.216 6 - - - - - - 6652 1HDO THR 199 E -8.658 8.303 -13.549 -5.205 6 - - - - - - 6653 1HDO TYR 200 E -10.818 12.48 -14.134 -5.241 6 - - - - - - 6654 1HDO PRO 201 E -10.672 15.928 -12.092 -5.221 7 - - - - - - 6655 1HDO SER 202 E -8.72 12.033 -10.973 -4.67 7 - - - - - - 6656 1HDO HIS 203 C -8.72 12.033 -10.973 -4.67 7 - - - - - - 6657 1HDO GLN 204 C -8.72 12.033 -10.973 -4.67 7 - - - - - - 6658 1HDO TYR 205 C -8.72 12.033 -10.973 -4.67 7 - - - - - - 6659 1HDR GLU 8 C -7.812 7.79 -10.055 -3.156 4 - - - - - - 6660 1HDR ALA 9 C -7.812 7.79 -10.055 -3.156 4 - - - - - - 6661 1HDR ARG 10 C -7.812 7.79 -10.055 -3.156 4 - - - - - - 6662 1HDR ARG 11 E -7.812 7.79 -10.055 -3.156 4 - - - - - - 6663 1HDR VAL 12 E -10.102 11.243 -11.948 -3.758 7 - - - - - - 6664 1HDR LEU 13 E -11.561 16.959 -12.423 -4.706 7 - - - - - - 6665 1HDR VAL 14 E -11.352 16.343 -12.892 -4.848 7 - - - - - - 6666 1HDR TYR 15 E -10.862 13.723 -14.355 -5.289 8 - - - - - - 6667 1HDR GLY 16 T -7.688 6.939 -12.65 -4.978 3 - - - - - - 6668 1HDR GLY 17 T -7.541 7.629 -12.452 -4.948 3 - - - - - - 6669 1HDR ARG 18 T -7.286 8.553 -11.894 -4.885 5 - - - - - - 6670 1HDR GLY 19 T -7.266 8.57 -11.935 -4.879 5 - - - - - - 6671 1HDR ALA 20 H -7.267 8.566 -11.93 -4.878 5 768 2964 1224 1706 Selective Selective 6672 1HDR LEU 21 H -7.665 10.153 -11.249 -4.783 5 726 2804 1219 1955 Gatekeeper Selective 6673 1HDR GLY 22 H -7.853 10.184 -11.062 -4.761 5 726 2676 1209 2275 Gatekeeper Selective 6674 1HDR SER 23 H -9.287 9.138 -13.146 -4.688 5 857 2373 1196 2778 Selective Selective 6675 1HDR ARG 24 H -13 12.012 -17.999 -5.193 8 927 2121 1190 3430 Selective Selective 6676 1HDR CYS 25 H -13.124 12.387 -18.003 -5.211 8 936 1924 1159 3963 Selective Selective 6677 1HDR VAL 26 H -13.193 12.419 -17.856 -5.168 8 951 1621 1133 4296 Selective Selective 6678 1HDR GLN 27 H -13.177 12.633 -17.722 -5.149 8 1031 1500 1091 4485 Selective Gatekeeper 6679 1HDR ALA 28 H -12.979 12.862 -17.213 -4.915 8 1113 1329 1049 4577 Selective Gatekeeper 6680 1HDR PHE 29 H -11.836 12.127 -14.975 -4.559 7 1171 1130 1027 4633 Permissive Gatekeeper 6681 1HDR ARG 30 H -10.863 11.436 -14.307 -4.631 7 1281 957 1022 4675 Permissive Gatekeeper 6682 1HDR ALA 31 H -10.814 11.738 -14.331 -4.683 7 1343 861 1034 4691 Permissive Gatekeeper 6683 1HDR ARG 32 H -10.813 11.759 -14.326 -4.685 7 1421 765 1091 4665 Permissive Gatekeeper 6684 1HDR ASN 33 C -10.815 11.776 -14.315 -4.69 7 1462 730 1134 4585 Permissive Selective 6685 1HDR TRP 34 C -10.921 11.744 -14.221 -4.72 7 1635 780 1190 4425 Permissive Selective 6686 1HDR TRP 35 E -12.124 15.829 -14.525 -5.162 8 1634 704 1232 4208 Permissive Selective 6687 1HDR VAL 36 E -12.061 13.798 -14.257 -4.218 7 1421 605 1262 3734 Permissive Selective 6688 1HDR ALA 37 E -11.303 11.799 -14.132 -4.075 7 1290 520 1283 3087 Permissive Selective 6689 1HDR SER 38 E -9.433 9.899 -12.409 -4.166 5 1220 430 1278 2512 Permissive Selective 6690 1HDR VAL 39 E -7.815 10.498 -10.468 -4.493 4 1165 404 1276 2125 Permissive Selective 6691 1HDR ASP 40 E -7.76 10.411 -10.791 -4.598 4 1107 370 1285 1839 Permissive Selective 6692 1HDR VAL 41 T -7.223 9.05 -11.733 -5.092 3 1153 342 1288 1612 Permissive Selective 6693 1HDR VAL 42 T -7.041 8.744 -12.22 -5.328 3 1102 244 1290 1429 Permissive Selective 6694 1HDR GLU 43 T -6.74 8.651 -12.246 -5.533 3 1071 239 1290 1232 Permissive Permissive 6695 1HDR ASN 44 T -6.817 8.303 -12.649 -5.714 3 1057 240 1298 1062 Permissive Permissive 6696 1HDR GLU 45 T -6.782 8.243 -12.635 -5.648 3 965 221 1253 884 Permissive Permissive 6697 1HDR GLU 46 T -6.968 8.315 -12.75 -5.723 3 940 199 1230 717 Permissive Permissive 6698 1HDR ALA 47 T -7.113 8.507 -12.481 -5.619 3 777 130 1177 555 Permissive Permissive 6699 1HDR SER 48 T -7.935 8.581 -13.039 -4.961 5 748 116 1119 402 Inactive Permissive 6700 1HDR ALA 49 E -8.042 8.994 -12.523 -4.702 5 735 105 1068 333 Inactive Inactive 6701 1HDR SER 50 E -8.616 11.19 -12.071 -4.486 5 721 95 1034 316 Inactive Inactive 6702 1HDR ILE 51 E -8.581 12.117 -11.283 -4.301 4 704 89 1039 333 Inactive Inactive 6703 1HDR ILE 52 E -7.608 10.647 -10.533 -4.611 4 674 81 1035 325 Inactive Inactive 6704 1HDR VAL 53 C -6.73 9.354 -10.538 -4.949 3 624 69 1021 333 Inactive Inactive 6705 1HDR LYS 54 C -6.548 8.643 -11.126 -5.066 3 464 33 1028 345 Inactive Inactive 6706 1HDR MET 55 C -6.52 8.713 -11.157 -5.067 3 378 21 1023 358 Inactive Inactive 6707 1HDR THR 56 C -6.482 8.757 -11.177 -5.058 3 256 9 1011 364 Inactive Inactive 6708 1HDR ASP 57 C -6.534 8.525 -11.34 -5.103 3 194 3 966 347 Inactive Inactive 6709 1HDR SER 58 C -7.022 7.922 -12.347 -5.184 3 168 3 921 325 Inactive Inactive 6710 1HDR PHE 59 H -7.564 9.638 -11.796 -4.918 5 128 10 862 310 Inactive Inactive 6711 1HDR THR 60 H -7.744 9.382 -11.842 -4.868 5 102 10 828 315 Inactive Inactive 6712 1HDR GLU 61 H -8.305 8.627 -12.563 -4.87 5 88 13 822 327 Inactive Inactive 6713 1HDR GLN 62 H -10.081 9.106 -15.661 -5.374 6 84 16 840 354 Inactive Inactive 6714 1HDR ALA 63 H -10.155 8.763 -15.695 -5.349 6 72 21 853 380 Inactive Inactive 6715 1HDR ASP 64 H -10.231 8.21 -15.814 -5.311 6 56 26 867 383 Inactive Inactive 6716 1HDR GLN 65 H -11.994 9.836 -17.73 -5.081 6 50 32 898 397 Inactive Inactive 6717 1HDR VAL 66 H -10.858 12.104 -13.783 -4.463 7 62 48 929 400 Inactive Inactive 6718 1HDR THR 67 H -10.248 10.611 -14.31 -4.703 6 61 51 942 377 Inactive Inactive 6719 1HDR ALA 68 H -7.983 6.763 -11.998 -4.053 5 62 51 949 367 Inactive Inactive 6720 1HDR GLU 69 H -7.543 8.178 -11.269 -4.139 5 65 51 998 405 Inactive Inactive 6721 1HDR VAL 70 H -7.287 9.25 -10.581 -4.067 4 71 56 1067 505 Inactive Inactive 6722 1HDR GLY 71 H -6.465 7.853 -10.191 -4.189 4 98 68 1167 654 Inactive Permissive 6723 1HDR LYS 72 H -6.269 7.71 -10.281 -4.19 2 108 62 1255 765 Inactive Permissive 6724 1HDR LEU 73 H -6.245 7.854 -10.291 -4.247 4 116 62 1338 884 Inactive Permissive 6725 1HDR LEU 74 H -6.216 7.733 -10.468 -4.328 3 127 61 1391 1007 Inactive Permissive 6726 1HDR GLY 75 T -6.208 7.508 -10.666 -4.386 3 182 98 1440 1114 Inactive Permissive 6727 1HDR GLU 76 T -6.602 7.619 -11.237 -4.534 3 250 151 1503 1232 Inactive Permissive 6728 1HDR GLU 77 T -7.008 7.88 -11.942 -4.869 3 254 199 1562 1344 Inactive Selective 6729 1HDR LYS 78 C -7.248 7.478 -12.247 -4.943 3 255 261 1606 1447 Inactive Selective 6730 1HDR VAL 79 E -7.775 7.375 -12.354 -4.839 5 259 465 1648 1551 Inactive Selective 6731 1HDR ASP 80 E -11.235 11.633 -15.542 -5.052 8 320 961 1698 1709 Inactive Selective 6732 1HDR ALA 81 E -11.14 15.988 -12.012 -4.251 7 434 1715 1742 1795 Gatekeeper Selective 6733 1HDR ILE 82 E -10.879 16.092 -11.784 -4.217 7 536 2495 1737 1837 Gatekeeper Selective 6734 1HDR LEU 83 E -9.306 12.579 -11.186 -4.374 7 588 3202 1711 1807 Gatekeeper Selective 6735 1HDR CYS 84 E -7.138 8.387 -10.77 -4.617 5 635 3969 1640 1726 Gatekeeper Selective 6736 1HDR VAL 85 C -6.392 9.371 -9.552 -4.51 4 759 4807 1598 1696 Gatekeeper Selective 6737 1HDR ALA 86 C -6.306 9.213 -9.793 -4.535 4 943 5626 1547 1633 Selective Selective 6738 1HDR GLY 87 C -5.091 7.24 -9.486 -4.969 3 1065 6257 1512 1526 Selective Selective 6739 1HDR GLY 88 C -5.006 7.215 -9.637 -4.971 3 1124 6675 1450 1403 Selective Selective 6740 1HDR TRP 89 C -5.016 7.195 -9.631 -4.983 3 1203 6862 1363 1251 Selective Permissive 6741 1HDR ALA 90 C -5.058 7.002 -9.683 -5.022 3 1377 7049 1283 1111 Selective Permissive 6742 1HDR GLY 91 C -5.051 6.924 -9.75 -5.026 3 1670 7267 1210 980 Selective Permissive 6743 1HDR GLY 92 B -6.013 6.701 -11.255 -4.977 3 1858 7135 1133 860 Selective Permissive 6744 1HDR ASN 93 T -6.321 4.736 -12.431 -4.587 3 1855 6640 1055 710 Selective Inactive 6745 1HDR ALA 94 T -6.264 4.324 -12.49 -4.472 3 1782 5889 1008 637 Selective Inactive 6746 1HDR LYS 95 T -6.272 4.269 -12.482 -4.461 3 1761 5114 977 601 Selective Inactive 6747 1HDR SER 96 T -6.411 4.129 -12.323 -4.319 3 1757 4404 964 630 Selective Inactive 6748 1HDR LYS 97 C -6.452 4.143 -12.209 -4.256 3 1747 3633 993 735 Selective Inactive 6749 1HDR SER 98 H -7.147 4.488 -12.869 -4.222 5 1688 2811 1036 915 Selective Inactive 6750 1HDR LEU 99 H -7.9 6.529 -13.062 -4.334 5 1555 2015 1108 1259 Selective Gatekeeper 6751 1HDR PHE 100 H -7.946 6.574 -12.971 -4.335 5 1520 1446 1194 1797 Selective Selective 6752 1HDR LYS 101 H -8.013 6.553 -12.858 -4.331 5 1545 1028 1304 2564 Permissive Selective 6753 1HDR ASN 102 H -9.227 8.216 -14.561 -4.789 6 1474 805 1415 3556 Permissive Selective 6754 1HDR CYS 103 H -9.681 8.791 -14.857 -4.971 6 1336 573 1534 4663 Permissive Selective 6755 1HDR ASP 104 H -10.309 8.196 -16.112 -5.249 6 1067 287 1658 5884 Permissive Selective 6756 1HDR LEU 105 H -11.193 8.373 -16.873 -5.322 6 891 200 1796 7272 Permissive Selective 6757 1HDR MET 106 H -14.112 11.949 -20.15 -5.856 8 872 196 1927 8653 Permissive Selective 6758 1HDR TRP 107 H -14.536 12.398 -20.049 -5.746 8 840 193 2017 9862 Permissive Selective 6759 1HDR LYS 108 H -15.406 13.441 -21.047 -5.907 8 765 188 2092 10952 Permissive Selective 6760 1HDR GLN 109 H -15.235 15.59 -19.387 -5.767 8 718 186 2136 11899 Inactive Selective 6761 1HDR SER 110 H -14.075 15.632 -17.298 -5.502 8 653 178 2151 12692 Inactive Selective 6762 1HDR ILE 111 H -12.099 15.58 -14.045 -5.103 8 578 161 2135 13276 Inactive Selective 6763 1HDR TRP 112 H -12.035 15.751 -14.142 -5.129 8 514 135 2086 13565 Inactive Selective 6764 1HDR THR 113 H -11.85 14.96 -14.694 -5.155 8 415 71 2001 13476 Inactive Selective 6765 1HDR SER 114 H -11.802 14.769 -14.875 -5.153 8 270 31 1902 13019 Inactive Selective 6766 1HDR THR 115 H -11.168 12.491 -15.014 -5.034 8 193 9 1808 12230 Inactive Selective 6767 1HDR ILE 116 H -11.224 11.987 -15.282 -5.029 8 154 1 1700 11233 Inactive Selective 6768 1HDR SER 117 H -11.165 11.966 -15.333 -5.02 8 205 1 1567 10063 Inactive Selective 6769 1HDR SER 118 H -11.069 12.175 -15.089 -4.942 6 184 0 1443 8683 Inactive Selective 6770 1HDR HIS 119 H -10.349 12.584 -13.595 -4.837 7 152 0 1306 7303 Inactive Selective 6771 1HDR LEU 120 H -10.421 12.96 -13.345 -4.824 7 149 0 1201 6066 Inactive Selective 6772 1HDR ALA 121 H -10.419 13.015 -13.324 -4.827 7 153 2 1109 4924 Inactive Gatekeeper 6773 1HDR THR 122 H -10.438 13.026 -13.251 -4.822 7 168 2 1039 3885 Inactive Gatekeeper 6774 1HDR LYS 123 H -10.462 13.113 -13.218 -4.862 7 192 19 971 2922 Inactive Gatekeeper 6775 1HDR HIS 124 H -10.795 13.644 -14.095 -5.266 7 217 180 935 2076 Inactive Gatekeeper 6776 1HDR LEU 125 E -8.281 9.434 -12.195 -5.02 5 261 404 879 1375 Inactive Gatekeeper 6777 1HDR LYS 126 E -7.886 9.407 -12.261 -5.07 5 380 728 865 896 Inactive Inactive 6778 1HDR GLU 127 E -7.701 10.07 -11.867 -4.996 5 507 1166 866 576 Inactive Inactive 6779 1HDR GLY 128 E -7.694 10.101 -11.877 -4.995 5 634 1631 868 382 Gatekeeper Inactive 6780 1HDR GLY 129 E -7.695 10.102 -11.869 -4.993 5 663 1955 898 291 Gatekeeper Inactive 6781 1HDR LEU 130 E -7.967 10.524 -11.694 -4.979 5 705 2349 947 258 Gatekeeper Inactive 6782 1HDR LEU 131 E -8.442 11.993 -10.911 -4.798 5 763 2714 989 266 Selective Inactive 6783 1HDR THR 132 E -9.945 13.641 -12.69 -4.794 7 962 3391 1051 280 Selective Inactive 6784 1HDR LEU 133 E -10.337 14.384 -12.688 -4.658 7 1347 4363 1110 287 Selective Inactive 6785 1HDR ALA 134 E -9.979 11.906 -13.397 -4.613 7 1620 5181 1128 287 Selective Permissive 6786 1HDR GLY 135 C -8.771 11.227 -12.221 -4.857 5 1809 5947 1132 282 Selective Permissive 6787 1HDR ALA 136 C -8.453 12.296 -12.975 -5.876 7 2001 6662 1146 280 Selective Permissive 6788 1HDR LYS 137 G -7.521 10.914 -10.903 -4.89 4 2036 7139 1108 275 Selective Inactive 6789 1HDR ALA 138 G -5.143 8.012 -7.655 -4.051 2 2037 7697 1111 274 Selective Permissive 6790 1HDR ALA 139 G -4.859 8.341 -7.705 -4.139 2 1939 7960 1093 276 Selective Inactive 6791 1HDR LEU 140 G -4.243 7.178 -7.718 -4.174 2 1830 8002 1062 273 Selective Inactive 6792 1HDR ASP 141 C -3.333 4.929 -7.841 -4.369 2 1721 8001 1052 272 Selective Inactive 6793 1HDR GLY 142 C -3.279 5.089 -7.896 -4.394 2 1739 8260 1007 256 Selective Inactive 6794 1HDR THR 143 T -3.304 4.965 -7.91 -4.408 2 1635 8205 954 247 Selective Inactive 6795 1HDR PRO 144 T -3.321 4.853 -7.913 -4.411 2 1577 8209 913 269 Selective Inactive 6796 1HDR GLY 145 T -3.408 4.58 -7.936 -4.442 2 1368 7544 900 358 Selective Inactive 6797 1HDR MET 146 B -4.72 6.803 -8.478 -4.62 2 976 6583 906 552 Selective Inactive 6798 1HDR ILE 147 H -7.122 8.864 -10.495 -4.346 4 688 5781 961 881 Gatekeeper Inactive 6799 1HDR GLY 148 H -8.047 7.953 -11.989 -4.48 5 475 5048 1052 1331 Gatekeeper Gatekeeper 6800 1HDR TYR 149 H -10.572 12.377 -14.689 -5.186 6 269 4366 1166 1910 Gatekeeper Selective 6801 1HDR GLY 150 H -10.436 11.368 -15.13 -5.199 6 270 3799 1302 2485 Gatekeeper Selective 6802 1HDR MET 151 H -10.363 10.879 -15.247 -5.131 6 237 3029 1429 3008 Gatekeeper Selective 6803 1HDR ALA 152 H -10.525 10.467 -15.627 -5.1 6 251 2475 1551 3476 Gatekeeper Selective 6804 1HDR LYS 153 H -10.679 10.034 -15.931 -5.109 6 269 2032 1663 3908 Gatekeeper Selective 6805 1HDR GLY 154 H -10.64 10.079 -15.936 -5.087 6 291 1607 1754 4292 Gatekeeper Selective 6806 1HDR ALA 155 H -10.9 10.917 -15.597 -4.956 6 296 1067 1844 4639 Inactive Selective 6807 1HDR VAL 156 H -11.29 11.896 -15.433 -4.892 8 328 805 1912 4920 Inactive Selective 6808 1HDR HIS 157 H -11.79 12.105 -16.038 -4.951 8 515 702 1958 5048 Inactive Selective 6809 1HDR GLN 158 H -11.891 11.668 -16.255 -4.916 8 618 898 1957 5062 Inactive Selective 6810 1HDR LEU 159 H -12.308 12.438 -16.752 -5.137 8 691 1256 1919 4927 Gatekeeper Selective 6811 1HDR CYS 160 H -12.42 11.382 -20.089 -6.909 8 937 2290 1852 4619 Selective Selective 6812 1HDR GLN 161 H -10.75 10.026 -16.74 -5.969 6 1286 3538 1727 4165 Selective Selective 6813 1HDR SER 162 H -8.963 8.101 -13.941 -4.992 6 1743 4914 1578 3587 Selective Selective 6814 1HDR LEU 163 H -5.59 6.393 -9.53 -4.447 2 2239 6456 1427 3015 Selective Selective 6815 1HDR ALA 164 H -4.691 3.851 -9.984 -4.353 2 2906 8149 1286 2498 Selective Selective 6816 1HDR GLY 165 T -3.31 2.213 -9.405 -4.697 2 3570 9905 1182 2032 Selective Selective 6817 1HDR LYS 166 T -3.272 2.495 -9.409 -4.726 2 4308 11530 1110 1611 Selective Gatekeeper 6818 1HDR ASN 167 T -3.271 2.501 -9.41 -4.727 2 5118 13289 1038 1236 Selective Inactive 6819 1HDR SER 168 T -3.283 2.425 -9.407 -4.732 2 6032 15132 983 905 Selective Inactive 6820 1HDR GLY 169 C -3.316 2.475 -9.339 -4.757 2 6958 17308 955 637 Selective Inactive 6821 1HDR MET 170 C -4.737 7.067 -9.308 -4.972 3 7736 19123 930 489 Selective Inactive 6822 1HDR PRO 171 T -5.451 8.373 -8.989 -4.377 2 8866 21180 937 393 Selective Inactive 6823 1HDR PRO 172 T -5.451 8.315 -8.968 -4.338 2 9774 22462 932 357 Selective Inactive 6824 1HDR GLY 173 T -5.461 8.293 -8.938 -4.33 2 10050 22391 924 365 Selective Inactive 6825 1HDR ALA 174 T -6.156 8.738 -9.073 -3.865 2 10289 21842 939 396 Selective Inactive 6826 1HDR ALA 175 E -6.395 8.358 -8.965 -3.675 2 10524 21467 953 432 Selective Inactive 6827 1HDR ALA 176 E -7.388 8.678 -10.244 -3.892 4 10281 20550 974 470 Selective Inactive 6828 1HDR ILE 177 E -8.578 11.709 -10.336 -4.002 4 9840 19484 990 506 Selective Inactive 6829 1HDR ALA 178 E -9.689 14.594 -10.392 -3.488 7 9246 18104 980 540 Selective Inactive 6830 1HDR VAL 179 E -8.322 14.327 -8.135 -3.683 4 8559 16695 944 560 Selective Inactive 6831 1HDR LEU 180 E -7.297 14.514 -7.272 -4.004 4 7750 15088 902 569 Selective Inactive 6832 1HDR PRO 181 T -7.262 14.36 -7.477 -4.028 4 6828 13354 858 571 Selective Inactive 6833 1HDR VAL 182 T -7.253 14.336 -7.547 -4.046 4 5856 11171 811 567 Selective Inactive 6834 1HDR THR 183 T -7.256 14.333 -7.542 -4.052 4 4881 9131 759 559 Selective Inactive 6835 1HDR LEU 184 B -7.351 14.323 -7.502 -4.12 4 3649 6921 695 549 Selective Inactive 6836 1HDR ASP 185 C -8.581 11.216 -12.11 -4.743 5 2668 5329 651 528 Selective Inactive 6837 1HDR THR 186 C -8.916 10.225 -13.99 -5.285 6 2147 4406 631 510 Selective Inactive 6838 1HDR PRO 187 H -8.893 8.502 -14.997 -5.331 6 1558 3710 611 486 Selective Inactive 6839 1HDR MET 188 H -8.882 8.39 -15.072 -5.327 6 866 2668 607 455 Selective Inactive 6840 1HDR ASN 189 H -8.917 8.217 -15.184 -5.357 6 560 2000 624 442 Gatekeeper Inactive 6841 1HDR ARG 190 H -9.003 8.44 -14.877 -5.083 6 325 1363 655 449 Gatekeeper Inactive 6842 1HDR LYS 191 T -6.84 5.654 -11.317 -4.21 3 222 957 703 470 Inactive Inactive 6843 1HDR SER 192 T -5.117 6.263 -8.384 -3.863 2 138 711 749 516 Inactive Inactive 6844 1HDR MET 193 T -4.718 6.293 -8.528 -4.038 2 96 520 798 590 Inactive Inactive 6845 1HDR PRO 194 T -4.697 6.367 -8.569 -4.049 2 53 419 840 708 Inactive Inactive 6846 1HDR GLU 195 T -4.697 6.369 -8.572 -4.049 2 60 360 882 864 Inactive Inactive 6847 1HDR ALA 196 T -4.713 6.39 -8.5 -4.045 2 96 346 916 1060 Inactive Inactive 6848 1HDR ASP 197 C -5.099 6.471 -8.755 -4.229 2 110 307 934 1267 Inactive Gatekeeper 6849 1HDR PHE 198 G -6.677 8.447 -9.809 -4.353 4 125 265 952 1486 Inactive Gatekeeper 6850 1HDR SER 199 G -8.776 8.648 -12.74 -4.614 5 171 232 976 1783 Inactive Gatekeeper 6851 1HDR SER 200 G -11.102 9.337 -15.38 -4.551 6 222 219 1010 2245 Inactive Gatekeeper 6852 1HDR TRP 201 C -12.673 15.152 -15.968 -5.277 8 261 246 1034 2810 Inactive Gatekeeper 6853 1HDR THR 202 B -12.033 14.845 -14.651 -5.093 8 359 283 1040 3362 Inactive Gatekeeper 6854 1HDR PRO 203 C -11.555 15.958 -13.576 -4.987 7 492 348 1037 3848 Inactive Gatekeeper 6855 1HDR LEU 204 H -11.547 16.017 -13.575 -4.987 7 656 346 1022 4353 Inactive Gatekeeper 6856 1HDR GLU 205 H -11.387 15.642 -13.747 -4.965 7 724 379 1056 4872 Inactive Gatekeeper 6857 1HDR PHE 206 H -11.092 16.045 -13.04 -4.831 7 833 436 1100 5370 Permissive Gatekeeper 6858 1HDR LEU 207 H -11.153 16.563 -12.724 -4.787 7 906 422 1174 5861 Permissive Selective 6859 1HDR VAL 208 H -11.345 16.454 -12.743 -4.743 7 913 444 1240 6224 Permissive Selective 6860 1HDR GLU 209 H -11.333 16.386 -12.846 -4.773 7 917 571 1314 6424 Permissive Selective 6861 1HDR THR 210 H -11.485 16.927 -12.407 -4.737 7 945 779 1394 6502 Permissive Selective 6862 1HDR PHE 211 H -12.479 18.01 -13.571 -5.041 8 1007 1127 1473 6492 Permissive Selective 6863 1HDR HIS 212 H -13.226 15.845 -16.502 -5.693 8 993 1479 1506 6282 Selective Selective 6864 1HDR ASP 213 H -13.105 15.624 -16.609 -5.709 8 976 1930 1500 5837 Selective Selective 6865 1HDR TRP 214 H -11.494 14.362 -14.096 -5.286 8 992 2422 1478 5273 Selective Selective 6866 1HDR ILE 215 H -7.548 7.148 -11.984 -4.696 3 940 2839 1453 4694 Selective Selective 6867 1HDR THR 216 H -7.471 7.007 -12.293 -4.736 3 842 3138 1431 4168 Selective Selective 6868 1HDR GLY 217 T -7.404 7.033 -12.409 -4.727 3 707 3508 1390 3607 Gatekeeper Selective 6869 1HDR LYS 218 T -7.399 7.037 -12.428 -4.725 3 661 3624 1322 3008 Gatekeeper Selective 6870 1HDR ASN 219 T -7.398 7.037 -12.436 -4.724 3 571 3666 1249 2408 Gatekeeper Selective 6871 1HDR ARG 220 T -8.277 6.696 -14 -4.822 5 510 3669 1152 1773 Gatekeeper Selective 6872 1HDR PRO 221 C -8.494 7.484 -13.478 -4.543 5 538 3698 1077 1231 Gatekeeper Inactive 6873 1HDR SER 222 T -9.08 8.081 -13.767 -4.337 5 545 3566 1018 824 Gatekeeper Inactive 6874 1HDR SER 223 T -9.152 8.202 -13.607 -4.325 5 512 3359 976 525 Gatekeeper Inactive 6875 1HDR GLY 224 T -9.197 8.151 -13.509 -4.309 5 440 3005 941 314 Gatekeeper Inactive 6876 1HDR SER 225 T -9.209 8.131 -13.463 -4.304 5 416 2630 957 233 Gatekeeper Inactive 6877 1HDR LEU 226 E -10.292 9.283 -14.475 -4.567 6 399 2160 1026 247 Gatekeeper Inactive 6878 1HDR ILE 227 E -11.573 13.368 -14.749 -4.86 7 336 1632 1108 279 Gatekeeper Inactive 6879 1HDR GLN 228 E -11.049 12.929 -14.361 -5.116 7 284 1168 1161 309 Gatekeeper Permissive 6880 1HDR VAL 229 E -7.607 10.706 -9.958 -4.508 4 278 951 1191 326 Inactive Permissive 6881 1HDR VAL 230 E -6.519 7.911 -10.832 -4.863 3 251 617 1230 351 Inactive Permissive 6882 1HDR THR 231 E -6.038 6.711 -10.996 -4.736 3 - - - - - - 6883 1HDR THR 232 E -4.418 6.858 -8.404 -4.77 2 - - - - - - 6884 1HDR GLU 233 T -4.408 6.855 -8.459 -4.773 2 - - - - - - 6885 1HDR GLY 234 T -4.408 6.847 -8.462 -4.774 2 - - - - - - 6886 1HDR ARG 235 E -4.422 6.838 -8.404 -4.771 2 - - - - - - 6887 1HDR THR 236 E -4.444 6.879 -8.301 -4.776 2 - - - - - - 6888 1HDR GLU 237 E -6.667 7.385 -11.564 -4.946 3 - - - - - - 6889 1HDR LEU 238 E -6.429 14.004 -7.803 -5.072 4 - - - - - - 6890 1HDR THR 239 E -5.857 12.405 -7.348 -4.541 4 - - - - - - 6891 1HDR PRO 240 E -4.365 10.704 -4.62 -3.427 1 - - - - - - 6892 1HDR ALA 241 E -4.365 10.704 -4.62 -3.427 1 - - - - - - 6893 1HDR TYR 242 C -4.365 10.704 -4.62 -3.427 1 - - - - - - 6894 1HDR PHE 243 C -4.365 10.704 -4.62 -3.427 1 - - - - - - 6895 1HMT VAL 1 C -7.81 11.703 -8.876 -3.639 4 - - - - - - 6896 1HMT ASP 2 G -7.81 11.703 -8.876 -3.639 4 - - - - - - 6897 1HMT ALA 3 G -7.81 11.703 -8.876 -3.639 4 - - - - - - 6898 1HMT PHE 4 G -7.81 11.703 -8.876 -3.639 4 - - - - - - 6899 1HMT LEU 5 C -8.91 13.903 -10.425 -4.64 7 - - - - - - 6900 1HMT GLY 6 E -10.287 14.051 -13.169 -5.461 7 - - - - - - 6901 1HMT THR 7 E -11.332 16.303 -14.562 -6.109 8 - - - - - - 6902 1HMT TRP 8 E -11.902 15.968 -14.742 -5.429 8 - - - - - - 6903 1HMT LYS 9 E -10.401 9.966 -14.961 -5.156 6 - - - - - - 6904 1HMT LEU 10 E -8.407 8.351 -12.462 -4.678 5 - - - - - - 6905 1HMT VAL 11 E -7.978 7.039 -13.176 -4.746 5 - - - - - - 6906 1HMT ASP 12 E -7.976 7.039 -13.189 -4.748 5 - - - - - - 6907 1HMT SER 13 E -7.976 7.041 -13.195 -4.749 5 307 71 860 534 Inactive Inactive 6908 1HMT LYS 14 E -7.981 7.02 -13.189 -4.75 5 357 121 871 555 Inactive Inactive 6909 1HMT ASN 15 T -8.357 5.895 -13.915 -4.83 5 359 170 887 608 Gatekeeper Inactive 6910 1HMT PHE 16 H -10.572 9.382 -16.589 -5.602 6 330 215 928 715 Gatekeeper Inactive 6911 1HMT ASP 17 H -10.771 9.779 -16.48 -5.69 6 324 214 965 819 Gatekeeper Gatekeeper 6912 1HMT ASP 18 H -10.85 10.002 -16.251 -5.689 6 325 216 972 880 Gatekeeper Gatekeeper 6913 1HMT TYR 19 H -12.186 15.55 -16.182 -6.061 8 333 222 988 917 Gatekeeper Gatekeeper 6914 1HMT MET 20 H -9.502 11.37 -13.194 -5.452 6 321 222 951 873 Gatekeeper Gatekeeper 6915 1HMT LYS 21 H -8.006 10.134 -11.529 -4.979 5 272 212 947 847 Gatekeeper Gatekeeper 6916 1HMT SER 22 H -6.884 8.98 -10.59 -4.824 3 266 214 971 854 Gatekeeper Gatekeeper 6917 1HMT LEU 23 H -6.646 8.962 -10.672 -4.825 3 248 214 1014 869 Gatekeeper Gatekeeper 6918 1HMT GLY 24 C -5.876 6.275 -10.66 -4.553 3 234 212 1049 876 Gatekeeper Gatekeeper 6919 1HMT VAL 25 C -5.758 6.538 -10.554 -4.513 3 181 202 1056 868 Gatekeeper Gatekeeper 6920 1HMT GLY 26 C -5.761 6.496 -10.563 -4.509 3 153 199 1033 820 Gatekeeper Gatekeeper 6921 1HMT PHE 27 H -5.841 6.17 -10.588 -4.467 3 127 155 988 737 Inactive Inactive 6922 1HMT ALA 28 H -5.893 5.916 -10.566 -4.434 3 139 107 960 635 Inactive Inactive 6923 1HMT THR 29 H -6.712 7.856 -10.3 -4.385 3 155 59 935 497 Inactive Inactive 6924 1HMT ARG 30 H -8.166 8.786 -12.416 -4.83 5 241 85 917 362 Inactive Inactive 6925 1HMT GLN 31 H -8.56 7.274 -12.879 -4.023 5 257 91 953 285 Inactive Inactive 6926 1HMT VAL 32 H -7.699 7.083 -11.372 -3.801 5 275 102 985 239 Inactive Inactive 6927 1HMT ALA 33 H -6.834 7.071 -10.643 -4.008 2 324 123 1072 264 Inactive Inactive 6928 1HMT SER 34 H -6.677 7.283 -10.687 -4.059 3 419 215 1137 303 Selective Inactive 6929 1HMT MET 35 H -6.633 7.468 -10.732 -4.106 3 577 339 1187 320 Selective Permissive 6930 1HMT THR 36 C -6.648 7.522 -10.68 -4.12 3 705 551 1220 323 Selective Permissive 6931 1HMT LYS 37 C -6.736 7.582 -10.624 -4.174 4 784 699 1217 324 Selective Permissive 6932 1HMT PRO 38 C -7.362 8.529 -10.983 -4.363 5 905 888 1234 310 Selective Permissive 6933 1HMT THR 39 E -8.163 10.078 -11.398 -4.741 5 977 917 1291 341 Selective Permissive 6934 1HMT THR 40 E -9.851 13.521 -12.816 -5.191 7 993 927 1395 446 Selective Permissive 6935 1HMT ILE 41 E -9.948 12.889 -13.254 -5.069 7 1028 943 1464 539 Selective Permissive 6936 1HMT ILE 42 E -7.209 8.933 -10.86 -4.943 3 1053 931 1479 595 Selective Permissive 6937 1HMT GLU 43 E -6.02 5.142 -11.848 -5.114 3 1056 898 1484 643 Selective Permissive 6938 1HMT LYS 44 E -3.651 5.309 -7.94 -4.714 2 1101 890 1460 675 Selective Permissive 6939 1HMT ASN 45 E -3.608 5.488 -7.961 -4.697 2 1098 870 1424 703 Selective Permissive 6940 1HMT GLY 46 T -3.607 5.49 -7.962 -4.698 2 1051 845 1359 714 Selective Permissive 6941 1HMT ASP 47 T -3.609 5.482 -7.956 -4.697 2 954 750 1304 719 Selective Permissive 6942 1HMT ILE 48 E -3.618 5.496 -7.894 -4.69 2 799 624 1252 746 Selective Permissive 6943 1HMT LEU 49 E -5.173 7.827 -8.225 -4.46 2 662 411 1200 784 Selective Permissive 6944 1HMT THR 50 E -8.058 10.055 -11.333 -4.879 5 568 263 1166 840 Selective Gatekeeper 6945 1HMT LEU 51 E -11.083 15.348 -13.675 -5.338 8 443 74 1133 926 Permissive Gatekeeper 6946 1HMT LYS 52 E -10.751 11.069 -15.999 -5.845 8 367 40 1079 955 Inactive Gatekeeper 6947 1HMT THR 53 E -9.529 12.442 -13.007 -5.412 7 321 23 989 886 Inactive Gatekeeper 6948 1HMT HIS 54 E -8.628 12.002 -11.964 -5.272 5 270 5 932 820 Inactive Gatekeeper 6949 1HMT SER 55 T -6.35 10.791 -9.05 -5.11 4 228 2 902 794 Inactive Gatekeeper 6950 1HMT THR 56 T -6.31 10.798 -9.18 -5.113 4 134 0 875 769 Inactive Inactive 6951 1HMT PHE 57 T -6.302 10.827 -9.212 -5.12 4 71 1 855 734 Inactive Inactive 6952 1HMT LYS 58 T -6.293 10.829 -9.253 -5.123 4 45 1 858 704 Inactive Inactive 6953 1HMT ASN 59 E -6.15 10.738 -9.337 -5.075 4 39 1 865 681 Inactive Inactive 6954 1HMT THR 60 E -6.852 10.735 -10.144 -5 4 34 1 890 648 Inactive Inactive 6955 1HMT GLU 61 E -6.952 10.776 -9.969 -4.972 4 19 1 902 603 Inactive Inactive 6956 1HMT ILE 62 E -6.976 10.688 -9.894 -4.943 4 16 1 910 563 Inactive Inactive 6957 1HMT SER 63 E -7.003 10.737 -9.76 -4.915 4 16 1 912 500 Inactive Inactive 6958 1HMT PHE 64 E -7.875 14.372 -8.996 -4.582 4 17 1 921 420 Inactive Inactive 6959 1HMT LYS 65 E -4.69 10.121 -6.43 -4.503 2 22 1 924 372 Inactive Inactive 6960 1HMT LEU 66 T -4.681 10.162 -6.459 -4.505 2 30 1 936 365 Inactive Inactive 6961 1HMT GLY 67 T -4.659 10.154 -6.565 -4.517 2 39 1 918 368 Inactive Inactive 6962 1HMT VAL 68 T -4.659 10.152 -6.566 -4.517 2 54 1 938 374 Inactive Inactive 6963 1HMT GLU 69 C -4.661 10.142 -6.563 -4.518 2 59 1 997 405 Inactive Inactive 6964 1HMT PHE 70 E -6.408 10.834 -9.182 -4.798 4 77 2 1069 483 Inactive Inactive 6965 1HMT ASP 71 E -6.574 9.999 -9.651 -4.881 4 80 3 1116 561 Inactive Inactive 6966 1HMT GLU 72 E -8.025 10.671 -12.492 -5.45 5 95 3 1145 630 Inactive Inactive 6967 1HMT THR 73 E -7.167 8.415 -12.024 -5.247 3 110 4 1158 734 Inactive Inactive 6968 1HMT THR 74 T -7.212 8.065 -12.08 -5.223 3 143 4 1203 831 Inactive Selective 6969 1HMT ALA 75 T -7.216 8.03 -12.069 -5.221 3 154 4 1265 911 Inactive Selective 6970 1HMT ASP 76 T -7.304 7.843 -11.951 -5.196 3 185 4 1343 977 Inactive Selective 6971 1HMT ASP 77 T -7.31 7.822 -11.926 -5.192 3 265 41 1399 1031 Inactive Selective 6972 1HMT ARG 78 C -10.367 9.335 -15.884 -5.617 6 341 59 1451 1054 Inactive Selective 6973 1HMT LYS 79 E -11.48 9.352 -17.403 -5.204 6 394 65 1507 1067 Permissive Selective 6974 1HMT VAL 80 E -11.272 11.597 -15.036 -4.576 7 463 109 1576 1068 Permissive Selective 6975 1HMT LYS 81 E -11.077 12.054 -14.515 -4.493 7 499 130 1607 1081 Permissive Selective 6976 1HMT SER 82 E -10.274 12.84 -12.281 -4.072 7 594 220 1591 1089 Selective Selective 6977 1HMT ILE 83 E -8.902 13.137 -10.363 -4.157 4 707 301 1547 1083 Selective Selective 6978 1HMT VAL 84 E -6.512 9.504 -8.534 -4.027 4 777 313 1520 1086 Selective Selective 6979 1HMT THR 85 E -3.956 5.907 -7.524 -4.347 2 843 343 1525 1113 Selective Selective 6980 1HMT LEU 86 E -2.478 6.389 -5.956 -4.638 2 877 352 1554 1136 Selective Selective 6981 1HMT ASP 87 E -2.462 6.481 -5.99 -4.648 2 965 416 1572 1201 Selective Selective 6982 1HMT GLY 88 T -2.462 6.482 -5.991 -4.648 2 1044 471 1585 1329 Selective Selective 6983 1HMT GLY 89 T -2.463 6.479 -5.988 -4.648 2 1068 477 1616 1504 Selective Selective 6984 1HMT LYS 90 E -2.513 6.517 -5.838 -4.663 2 1039 440 1656 1726 Selective Selective 6985 1HMT LEU 91 E -4.624 9.678 -7.068 -4.882 2 1039 429 1697 1996 Selective Selective 6986 1HMT VAL 92 E -7.345 11.462 -9.46 -4.718 4 1009 424 1727 2424 Selective Selective 6987 1HMT HIS 93 E -11.2 18.619 -14.604 -7.315 8 982 381 1776 2935 Selective Selective 6988 1HMT LEU 94 E -12.845 20.156 -16.806 -7.909 8 956 364 1821 3345 Selective Selective 6989 1HMT GLN 95 E -11.009 10.746 -16.558 -6.299 8 883 275 1851 3565 Selective Selective 6990 1HMT LYS 96 E -7.31 8.374 -12.166 -5.607 3 764 193 1868 3645 Selective Selective 6991 1HMT TRP 97 E -6.107 8.039 -10.916 -5.514 3 702 204 1888 3691 Selective Selective 6992 1HMT ASP 98 T -5.871 7.354 -11.317 -5.473 3 678 182 1901 3700 Selective Selective 6993 1HMT GLY 99 T -5.867 7.359 -11.333 -5.473 3 666 186 1906 3667 Selective Selective 6994 1HMT GLN 100 E -5.867 7.359 -11.332 -5.473 3 570 125 1892 3588 Permissive Selective 6995 1HMT GLU 101 E -5.921 7.262 -11.254 -5.46 3 482 70 1872 3435 Permissive Selective 6996 1HMT THR 102 E -6.519 5.998 -12.17 -5.39 3 437 65 1828 3243 Permissive Selective 6997 1HMT THR 103 E -8.859 8.275 -13.965 -5.411 6 405 71 1787 3039 Permissive Selective 6998 1HMT LEU 104 E -11.53 12.954 -14.985 -5.029 8 350 71 1769 2808 Inactive Selective 6999 1HMT VAL 105 E -11.205 14.482 -13.794 -4.959 7 340 79 1718 2359 Inactive Selective 7000 1HMT ARG 106 E -9.347 13.539 -11.586 -5.148 7 324 82 1634 1837 Inactive Selective 7001 1HMT GLU 107 E -4.45 7.769 -7.192 -4.404 2 315 78 1535 1390 Inactive Selective 7002 1HMT LEU 108 E -2.707 7.265 -5.384 -4.387 2 323 87 1460 1109 Inactive Selective 7003 1HMT ILE 109 E -2.691 7.32 -5.437 -4.395 2 371 91 1400 953 Permissive Selective 7004 1HMT ASP 110 T -2.691 7.321 -5.438 -4.395 2 494 113 1340 813 Permissive Selective 7005 1HMT GLY 111 T -2.691 7.321 -5.438 -4.395 2 563 151 1274 694 Permissive Permissive 7006 1HMT LYS 112 E -2.723 7.288 -5.335 -4.389 2 584 149 1185 600 Permissive Inactive 7007 1HMT LEU 113 E -4.829 9.154 -7.218 -4.584 2 694 168 1122 511 Selective Inactive 7008 1HMT ILE 114 E -7.8 11.237 -10.374 -4.912 4 720 181 1085 476 Selective Inactive 7009 1HMT LEU 115 E -10.805 15.892 -13.259 -5.245 7 710 181 1054 484 Selective Inactive 7010 1HMT THR 116 E -10.401 12.728 -14.15 -5.253 6 701 176 1012 466 Selective Inactive 7011 1HMT LEU 117 E -8.078 8.93 -11.78 -4.748 5 680 172 988 466 Selective Inactive 7012 1HMT THR 118 E -6.018 6.532 -10.215 -4.567 3 667 165 991 572 Selective Inactive 7013 1HMT HIS 119 E -5.101 6.166 -9.296 -4.398 2 - - - - - - 7014 1HMT GLY 120 T -4.497 5.438 -8.879 -4.202 2 - - - - - - 7015 1HMT THR 121 T -4.483 5.497 -8.898 -4.201 2 - - - - - - 7016 1HMT ALA 122 E -4.485 5.49 -8.892 -4.2 2 - - - - - - 7017 1HMT VAL 123 E -4.53 5.413 -8.791 -4.172 2 - - - - - - 7018 1HMT CYS 124 E -4.741 5.131 -8.679 -4.093 2 - - - - - - 7019 1HMT THR 125 E -6.721 8.007 -9.744 -4.174 4 - - - - - - 7020 1HMT ARG 126 E -11.768 12.977 -15.625 -5.434 8 - - - - - - 7021 1HMT THR 127 E -11.381 15.215 -14.431 -5.726 8 - - - - - - 7022 1HMT TYR 128 E -9.776 13.871 -11.89 -5.009 7 - - - - - - 7023 1HMT GLU 129 E -9.776 13.871 -11.89 -5.009 7 - - - - - - 7024 1HMT LYS 130 E -9.776 13.871 -11.89 -5.009 7 - - - - - - 7025 1HMT GLU 131 C -9.776 13.871 -11.89 -5.009 7 - - - - - - 7026 1HNA PRO 1 C -9.816 12.588 -12.239 -4.553 7 - - - - - - 7027 1HNA MET 2 E -9.816 12.588 -12.239 -4.553 7 - - - - - - 7028 1HNA THR 3 E -9.816 12.588 -12.239 -4.553 7 - - - - - - 7029 1HNA LEU 4 E -9.816 12.588 -12.239 -4.553 7 - - - - - - 7030 1HNA GLY 5 E -10.784 13.379 -13.837 -5.363 8 - - - - - - 7031 1HNA TYR 6 E -12.884 18.753 -14.586 -6.055 8 - - - - - - 7032 1HNA TRP 7 E -12.863 18.682 -14.709 -6.074 8 - - - - - - 7033 1HNA ASN 8 C -12.721 17.835 -15.391 -6.12 8 - - - - - - 7034 1HNA ILE 9 C -12.29 16.162 -15.454 -5.72 8 - - - - - - 7035 1HNA ARG 10 T -12.488 14.658 -16.183 -5.574 8 - - - - - - 7036 1HNA GLY 11 T -11.675 13.937 -15.521 -5.622 8 - - - - - - 7037 1HNA LEU 12 T -11.411 15.091 -14.718 -5.529 8 - - - - - - 7038 1HNA ALA 13 H -11.424 15.102 -14.645 -5.511 8 267 225 2264 17281 Inactive Selective 7039 1HNA HIS 14 H -11.5 15.171 -14.528 -5.534 8 334 220 2298 17158 Inactive Selective 7040 1HNA SER 15 H -11.512 15.193 -14.46 -5.527 8 392 235 2335 16819 Inactive Selective 7041 1HNA ILE 16 H -12.001 17.189 -13.385 -5.379 8 480 268 2376 16364 Inactive Selective 7042 1HNA ARG 17 H -14.474 19.697 -15.872 -5.364 8 596 279 2409 15784 Permissive Selective 7043 1HNA LEU 18 H -13.406 21.879 -13.112 -5.436 8 707 278 2431 15094 Permissive Selective 7044 1HNA LEU 19 H -12.449 20.436 -13.024 -5.683 8 747 244 2440 14391 Permissive Selective 7045 1HNA LEU 20 H -11.521 17 -13.928 -5.877 8 814 218 2426 13687 Permissive Selective 7046 1HNA GLU 21 H -11.174 15.577 -14.658 -5.98 8 851 177 2410 12776 Permissive Selective 7047 1HNA TYR 22 H -10.004 11.948 -13.984 -5.428 6 908 163 2402 11774 Permissive Selective 7048 1HNA THR 23 H -9.843 11.807 -14.173 -5.437 6 903 126 2375 10836 Permissive Selective 7049 1HNA ASP 24 C -9.813 11.639 -14.306 -5.429 6 958 93 2327 10001 Permissive Selective 7050 1HNA SER 25 C -9.817 11.449 -14.383 -5.415 6 947 89 2273 9256 Permissive Selective 7051 1HNA SER 26 C -9.84 11.348 -14.351 -5.387 6 951 171 2228 8568 Permissive Selective 7052 1HNA TYR 27 E -10.463 11.332 -15.267 -5.483 6 936 302 2192 7932 Permissive Selective 7053 1HNA GLU 28 E -11.139 11.101 -16.385 -5.532 8 888 332 2132 7356 Permissive Selective 7054 1HNA GLU 29 E -11.602 12.111 -16.526 -5.761 8 797 337 2042 6702 Permissive Selective 7055 1HNA LYS 30 E -12.48 12.879 -17.754 -6.099 8 681 367 1947 5975 Permissive Selective 7056 1HNA LYS 31 E -13.162 13.679 -19.095 -6.653 8 573 424 1839 5246 Selective Selective 7057 1HNA TYR 32 E -11.317 13.627 -15.505 -6.198 8 506 555 1751 4522 Gatekeeper Selective 7058 1HNA THR 33 C -7.865 9.027 -12.266 -5.344 5 539 740 1678 3800 Selective Selective 7059 1HNA MET 34 C -6.284 8.222 -10.232 -4.885 3 602 936 1628 3305 Selective Selective 7060 1HNA GLY 35 C -3.826 3.279 -8.48 -4.055 2 652 1215 1558 2868 Selective Selective 7061 1HNA ASP 36 C -3.767 3.624 -8.483 -4.075 2 677 1284 1501 2469 Selective Selective 7062 1HNA ALA 37 T -3.759 3.673 -8.505 -4.08 2 668 1321 1446 2128 Selective Selective 7063 1HNA PRO 38 T -3.759 3.669 -8.502 -4.079 2 661 1359 1384 1823 Selective Selective 7064 1HNA ASP 39 T -3.767 3.609 -8.48 -4.068 2 664 1278 1340 1566 Selective Selective 7065 1HNA TYR 40 T -5.077 6.916 -8.69 -4.275 2 675 1139 1289 1367 Selective Selective 7066 1HNA ASP 41 C -6.279 7.113 -10.025 -4.386 3 708 1102 1239 1200 Selective Permissive 7067 1HNA ARG 42 H -8.864 10.254 -12.212 -4.766 5 730 1068 1209 1108 Selective Inactive 7068 1HNA SER 43 H -11.406 12.16 -15.913 -5.462 8 735 1032 1180 1120 Selective Inactive 7069 1HNA GLN 44 H -12.52 13.087 -17.618 -5.827 8 738 981 1156 1090 Selective Inactive 7070 1HNA TRP 45 H -11.644 15.081 -15.192 -5.909 8 723 869 1139 1036 Selective Inactive 7071 1HNA LEU 46 H -9.835 12.169 -13.84 -5.671 6 610 692 1111 960 Selective Inactive 7072 1HNA ASN 47 H -8.247 9.684 -12.524 -5.269 5 500 498 1072 865 Gatekeeper Inactive 7073 1HNA GLU 48 T -8.115 10.019 -12.533 -5.261 5 382 331 1062 816 Inactive Inactive 7074 1HNA LYS 49 T -6.634 9.953 -9.854 -4.877 4 320 337 1059 793 Inactive Inactive 7075 1HNA PHE 50 T -5.966 11.147 -8.512 -4.759 4 251 505 1071 756 Gatekeeper Inactive 7076 1HNA LYS 51 T -5.486 10.671 -8.278 -4.711 4 236 752 1085 715 Gatekeeper Inactive 7077 1HNA LEU 52 T -5.269 10.493 -8.287 -4.7 4 187 944 1098 652 Gatekeeper Inactive 7078 1HNA GLY 53 T -4.295 9.308 -6.907 -4.447 2 124 1299 1119 584 Gatekeeper Inactive 7079 1HNA LEU 54 T -4.297 9.311 -6.892 -4.442 2 104 1506 1149 521 Gatekeeper Inactive 7080 1HNA ASP 55 T -4.318 9.219 -6.869 -4.431 2 86 1591 1180 458 Gatekeeper Inactive 7081 1HNA PHE 56 T -4.365 9.131 -6.767 -4.41 2 99 1721 1208 374 Gatekeeper Inactive 7082 1HNA PRO 57 T -4.407 9.061 -6.649 -4.39 2 114 1826 1243 328 Gatekeeper Permissive 7083 1HNA ASN 58 T -6.566 10.502 -9.337 -4.541 4 119 1815 1263 328 Gatekeeper Permissive 7084 1HNA LEU 59 T -7.19 10.884 -9.491 -4.486 4 140 1826 1301 350 Gatekeeper Permissive 7085 1HNA PRO 60 T -8.858 13.898 -9.672 -4.299 4 151 1833 1314 373 Gatekeeper Permissive 7086 1HNA TYR 61 E -11.37 17.718 -12.483 -4.974 7 191 1735 1305 380 Gatekeeper Permissive 7087 1HNA LEU 62 E -7.082 9.678 -9.986 -4.639 4 204 1662 1262 353 Gatekeeper Permissive 7088 1HNA ILE 63 E -4.75 6.443 -8.612 -4.528 2 205 1457 1230 326 Gatekeeper Permissive 7089 1HNA ASP 64 E -4.469 6.416 -8.911 -4.657 2 224 1178 1213 334 Gatekeeper Permissive 7090 1HNA GLY 65 T -4.318 6.693 -8.774 -4.592 2 232 986 1210 391 Gatekeeper Inactive 7091 1HNA THR 66 T -4.314 6.726 -8.777 -4.592 2 251 637 1214 512 Gatekeeper Permissive 7092 1HNA HIS 67 E -4.319 6.698 -8.766 -4.592 2 268 480 1221 676 Gatekeeper Permissive 7093 1HNA LYS 68 E -4.7 6.983 -8.923 -4.648 2 310 464 1232 819 Gatekeeper Permissive 7094 1HNA ILE 69 E -5.182 7.755 -8.321 -4.371 2 341 442 1253 955 Gatekeeper Permissive 7095 1HNA THR 70 E -7.227 11.339 -9.263 -4.544 4 392 417 1277 1081 Gatekeeper Permissive 7096 1HNA GLN 71 C -9.562 12.01 -14.048 -5.39 6 474 489 1293 1157 Gatekeeper Permissive 7097 1HNA SER 72 H -9.72 12.089 -14.243 -5.474 6 547 532 1314 1207 Selective Permissive 7098 1HNA ASN 73 H -9.831 11.703 -14.392 -5.487 6 574 557 1338 1231 Selective Permissive 7099 1HNA ALA 74 H -9.897 11.507 -14.377 -5.475 6 610 634 1349 1256 Selective Permissive 7100 1HNA ILE 75 H -10.567 13.277 -13.866 -5.238 7 675 752 1373 1289 Selective Permissive 7101 1HNA LEU 76 H -11.15 15.461 -12.943 -5.204 7 742 805 1387 1321 Selective Permissive 7102 1HNA ARG 77 H -13.955 15.996 -17.133 -5.333 8 786 828 1391 1319 Selective Permissive 7103 1HNA TYR 78 H -12.635 14.151 -15.287 -4.91 8 863 840 1355 1252 Selective Permissive 7104 1HNA ILE 79 H -10.296 11.888 -13.146 -4.724 7 905 831 1307 1108 Selective Permissive 7105 1HNA ALA 80 H -8.678 7.728 -13.297 -4.665 5 981 780 1238 921 Selective Permissive 7106 1HNA ARG 81 H -8.336 8.346 -13.06 -4.737 5 1213 731 1172 756 Selective Inactive 7107 1HNA LYS 82 H -8.234 8.578 -13.127 -4.805 5 1258 625 1096 607 Selective Inactive 7108 1HNA HIS 83 C -7.911 9.06 -12.8 -4.952 5 1323 546 1052 500 Selective Inactive 7109 1HNA ASN 84 C -7.677 8.825 -12.826 -5.023 5 1386 479 1028 499 Selective Inactive 7110 1HNA LEU 85 C -7.726 9.087 -12.825 -5.106 5 1458 426 1021 570 Selective Inactive 7111 1HNA CYS 86 C -7.064 6.522 -13.088 -5.234 3 1621 402 1032 718 Permissive Inactive 7112 1HNA GLY 87 C -5.387 5.217 -10.749 -4.946 3 1686 315 1066 885 Permissive Inactive 7113 1HNA GLU 88 C -5.249 5.355 -10.812 -4.931 3 1658 195 1119 1053 Permissive Inactive 7114 1HNA SER 89 C -5.249 5.344 -10.812 -4.93 3 1616 141 1187 1216 Permissive Inactive 7115 1HNA GLU 90 H -5.247 5.349 -10.823 -4.929 3 1571 110 1257 1459 Permissive Selective 7116 1HNA LYS 91 H -5.267 5.342 -10.741 -4.918 3 1492 91 1346 1813 Permissive Selective 7117 1HNA GLU 92 H -6.135 6.009 -11.186 -4.883 3 1444 86 1449 2251 Permissive Selective 7118 1HNA GLN 93 H -7.933 6.933 -13.4 -4.909 3 1338 80 1583 2815 Permissive Selective 7119 1HNA ILE 94 H -8.245 7.071 -13.247 -4.929 5 1076 57 1698 3491 Permissive Selective 7120 1HNA ARG 95 H -12.424 10.197 -19.577 -6.38 8 1033 51 1822 4394 Permissive Selective 7121 1HNA GLU 96 H -13.7 11.4 -21.5 -6.816 8 948 44 1924 5261 Permissive Selective 7122 1HNA ASP 97 H -11.724 10.034 -16.508 -5.125 6 917 37 2011 6062 Permissive Selective 7123 1HNA ILE 98 H -11.163 10.608 -15.931 -5.13 6 888 31 2067 6835 Permissive Selective 7124 1HNA LEU 99 H -11.163 10.649 -15.915 -5.133 6 814 25 2099 7533 Permissive Selective 7125 1HNA GLU 100 H -11.164 10.647 -15.912 -5.133 6 840 26 2111 8193 Permissive Selective 7126 1HNA ASN 101 H -11.13 10.734 -15.992 -5.164 6 918 31 2085 8903 Permissive Selective 7127 1HNA GLN 102 H -11.392 11.133 -15.761 -5.19 8 983 38 2034 9487 Permissive Selective 7128 1HNA PHE 103 H -12.762 12.611 -17.455 -5.708 8 1093 49 1986 9789 Permissive Selective 7129 1HNA MET 104 H -12.806 12.233 -17.582 -5.718 8 1168 51 1926 9875 Permissive Selective 7130 1HNA ASP 105 H -12.801 12.197 -17.623 -5.719 8 1175 58 1837 9794 Permissive Selective 7131 1HNA SER 106 H -14.512 11.739 -21.103 -6.017 8 1191 65 1749 9490 Permissive Selective 7132 1HNA ARG 107 H -14.57 11.592 -21.138 -5.957 8 1178 71 1664 8999 Permissive Selective 7133 1HNA MET 108 H -11.9 12.546 -15.299 -5.075 8 1124 77 1587 8212 Permissive Selective 7134 1HNA GLN 109 H -11.702 13.343 -15.001 -5.039 8 1068 77 1498 7377 Permissive Selective 7135 1HNA LEU 110 H -10.803 14.166 -13.112 -4.786 7 946 74 1422 6504 Permissive Selective 7136 1HNA ALA 111 H -10.531 14.453 -12.968 -4.819 7 809 70 1357 5606 Permissive Selective 7137 1HNA LYS 112 H -10.449 14.525 -13.076 -4.866 7 683 80 1299 4728 Permissive Selective 7138 1HNA LEU 113 H -10.395 14.541 -13.02 -4.842 7 516 87 1246 3865 Inactive Selective 7139 1HNA CYS 114 T -9.146 10.011 -13.201 -4.895 5 387 98 1209 2958 Inactive Gatekeeper 7140 1HNA TYR 115 T -9.02 10.781 -12.948 -4.939 5 292 99 1201 2213 Inactive Gatekeeper 7141 1HNA ASP 116 T -6.814 9.782 -9.457 -4.452 4 154 100 1192 1674 Inactive Gatekeeper 7142 1HNA PRO 117 T -5.428 8.987 -7.926 -4.218 2 66 100 1175 1260 Inactive Inactive 7143 1HNA ASP 118 T -5.359 9.155 -8.027 -4.25 2 37 94 1173 931 Inactive Inactive 7144 1HNA PHE 119 H -5.317 9.493 -7.979 -4.275 2 14 106 1140 692 Inactive Inactive 7145 1HNA GLU 120 H -5.055 9.56 -7.91 -4.302 2 11 106 1112 519 Inactive Inactive 7146 1HNA LYS 121 H -5.077 9.554 -7.872 -4.3 2 13 102 1070 423 Inactive Inactive 7147 1HNA LEU 122 H -5.487 10.204 -7.98 -4.406 4 16 103 1025 403 Inactive Inactive 7148 1HNA LYS 123 H -5.575 10.156 -7.844 -4.39 4 17 101 1003 427 Inactive Inactive 7149 1HNA PRO 124 H -5.642 9.69 -7.893 -4.361 4 19 106 979 475 Inactive Inactive 7150 1HNA GLU 125 H -7.597 9.876 -10.661 -4.679 4 42 115 987 556 Inactive Inactive 7151 1HNA TYR 126 H -11.133 13.429 -15.004 -5.116 8 57 123 998 679 Inactive Inactive 7152 1HNA LEU 127 H -10.436 11.328 -13.923 -4.507 7 64 114 1017 757 Inactive Inactive 7153 1HNA GLN 128 H -9.039 9.254 -12.566 -4.296 5 78 139 1011 802 Inactive Inactive 7154 1HNA ALA 129 H -8.985 9.486 -12.593 -4.33 5 119 213 1011 850 Inactive Inactive 7155 1HNA LEU 130 H -8.972 9.638 -12.572 -4.343 5 143 256 1009 894 Inactive Inactive 7156 1HNA PRO 131 H -8.891 10.148 -12.499 -4.403 5 162 297 1017 941 Inactive Inactive 7157 1HNA GLU 132 H -8.811 10.4 -12.524 -4.515 5 178 287 1040 1001 Inactive Inactive 7158 1HNA MET 133 H -9.383 12.575 -12.669 -4.901 7 218 354 1062 1074 Inactive Inactive 7159 1HNA LEU 134 H -9.508 12.721 -12.573 -4.946 7 222 435 1105 1136 Gatekeeper Inactive 7160 1HNA LYS 135 H -9.545 12.503 -12.602 -4.943 7 225 621 1154 1184 Gatekeeper Inactive 7161 1HNA LEU 136 H -9.833 11.779 -12.975 -5.024 7 251 998 1178 1189 Gatekeeper Inactive 7162 1HNA TYR 137 H -12.413 12.969 -16.521 -5.204 8 256 1220 1174 1168 Gatekeeper Inactive 7163 1HNA SER 138 H -12.169 11.778 -17.046 -5.266 8 236 1262 1137 1091 Gatekeeper Inactive 7164 1HNA GLN 139 H -10.297 8.877 -15.076 -4.937 6 226 1308 1088 963 Gatekeeper Inactive 7165 1HNA PHE 140 H -10.035 9.088 -15.204 -5.07 6 223 1383 1045 872 Gatekeeper Inactive 7166 1HNA LEU 141 H -8.423 6.898 -13.396 -4.639 5 223 1393 1011 786 Gatekeeper Inactive 7167 1HNA GLY 142 T -8.385 7.077 -13.454 -4.668 5 206 1423 968 708 Gatekeeper Inactive 7168 1HNA LYS 143 T -8.385 7.079 -13.451 -4.667 5 209 1437 947 658 Gatekeeper Inactive 7169 1HNA GLN 144 T -8.408 7.011 -13.39 -4.657 5 201 1438 926 651 Gatekeeper Inactive 7170 1HNA PRO 145 T -8.422 6.972 -13.336 -4.643 5 231 1710 906 662 Gatekeeper Inactive 7171 1HNA TRP 146 B -9.839 12.512 -13.27 -5.191 7 324 1872 894 730 Gatekeeper Inactive 7172 1HNA PHE 147 T -9.49 15.731 -11.333 -5.471 7 378 1861 856 795 Gatekeeper Inactive 7173 1HNA LEU 148 T -7.685 12.266 -10.225 -5.151 4 516 1779 820 877 Gatekeeper Inactive 7174 1HNA GLY 149 B -7.315 11.073 -10.779 -5.115 4 645 1481 789 1084 Selective Inactive 7175 1HNA ASP 150 T -7.315 11.076 -10.782 -5.116 4 739 1258 795 1376 Selective Gatekeeper 7176 1HNA LYS 151 T -7.317 11.046 -10.784 -5.114 4 944 1201 833 1792 Selective Gatekeeper 7177 1HNA ILE 152 C -7.329 10.961 -10.769 -5.106 4 1161 1138 896 2333 Selective Gatekeeper 7178 1HNA THR 153 C -7.767 9.723 -11.423 -5.075 3 1254 1057 963 3061 Selective Gatekeeper 7179 1HNA PHE 154 H -11.1 16.693 -12.767 -5.203 7 1378 1042 1015 3851 Selective Gatekeeper 7180 1HNA VAL 155 H -11.816 18.937 -12.289 -4.931 7 1438 936 1066 4660 Selective Gatekeeper 7181 1HNA ASP 156 H -11.861 18.957 -12.159 -4.912 7 1452 879 1111 5456 Selective Gatekeeper 7182 1HNA PHE 157 H -12.761 19.562 -13.026 -4.788 7 1575 886 1153 6225 Selective Gatekeeper 7183 1HNA ILE 158 H -12.953 18.409 -13.465 -4.608 7 1552 609 1199 6848 Selective Gatekeeper 7184 1HNA ALA 159 H -12.947 17.866 -13.781 -4.629 7 1426 380 1242 7319 Permissive Selective 7185 1HNA TYR 160 H -13.835 17.47 -16.092 -5.218 8 1378 316 1294 7693 Permissive Selective 7186 1HNA ASP 161 H -13.861 17.288 -16.128 -5.22 8 1244 222 1329 7880 Permissive Selective 7187 1HNA VAL 162 H -13.878 17.176 -16.141 -5.217 8 1096 149 1333 7845 Permissive Selective 7188 1HNA LEU 163 H -14.141 17.593 -15.857 -5.241 8 1006 155 1329 7627 Permissive Selective 7189 1HNA GLU 164 H -15.683 15.407 -21.154 -6.269 8 809 154 1292 7237 Permissive Selective 7190 1HNA ARG 165 H -15.638 15.617 -21.066 -6.339 8 596 172 1259 6724 Permissive Selective 7191 1HNA ASN 166 H -12.796 16.133 -15.706 -5.976 8 502 219 1211 6015 Inactive Selective 7192 1HNA GLN 167 H -10.739 13.725 -13.277 -5.111 7 364 232 1163 5224 Inactive Gatekeeper 7193 1HNA VAL 168 H -9.557 12.005 -11.902 -4.358 7 286 289 1143 4403 Inactive Gatekeeper 7194 1HNA PHE 169 H -9.436 12.007 -12.11 -4.403 7 247 312 1121 3582 Inactive Gatekeeper 7195 1HNA GLU 170 C -9.289 11.685 -12.366 -4.411 5 112 297 1086 2747 Inactive Gatekeeper 7196 1HNA PRO 171 H -9.202 11.408 -12.59 -4.424 5 90 367 1059 2063 Inactive Gatekeeper 7197 1HNA SER 172 H -9.066 10.75 -12.814 -4.415 5 86 389 1046 1518 Inactive Gatekeeper 7198 1HNA CYS 173 H -9.289 10.529 -13.422 -4.562 5 75 395 1048 1139 Inactive Inactive 7199 1HNA LEU 174 H -9.2 10.789 -13.127 -4.521 5 71 398 1089 1029 Inactive Inactive 7200 1HNA ASP 175 H -9.274 10.642 -13.299 -4.56 5 75 500 1148 1125 Gatekeeper Inactive 7201 1HNA ALA 176 H -9.295 10.984 -13.142 -4.568 5 80 591 1207 1423 Gatekeeper Gatekeeper 7202 1HNA PHE 177 C -9.584 11.985 -12.871 -4.588 7 76 639 1290 1804 Gatekeeper Selective 7203 1HNA PRO 178 H -9.629 11.404 -13.153 -4.567 7 76 673 1353 2119 Gatekeeper Selective 7204 1HNA ASN 179 H -10.093 10.437 -14.386 -4.735 6 78 626 1425 2370 Gatekeeper Selective 7205 1HNA LEU 180 H -10.314 11.54 -13.802 -4.723 7 84 587 1487 2579 Gatekeeper Selective 7206 1HNA LYS 181 H -11.023 10.017 -15.738 -5.06 6 83 521 1521 2746 Gatekeeper Selective 7207 1HNA ASP 182 H -11.02 10.027 -15.732 -5.051 6 86 495 1535 2864 Gatekeeper Selective 7208 1HNA PHE 183 H -12.386 15.412 -15.122 -5.04 8 104 465 1567 2976 Gatekeeper Selective 7209 1HNA ILE 184 H -12.385 15.443 -15.082 -5.02 8 105 390 1594 3059 Inactive Selective 7210 1HNA SER 185 H -12.331 12.633 -16.481 -5.038 8 112 361 1582 3033 Inactive Selective 7211 1HNA ARG 186 H -12.043 13.489 -15.897 -5.246 8 122 346 1529 2898 Inactive Selective 7212 1HNA PHE 187 H -9.499 12.009 -12.697 -5.236 7 118 330 1424 2648 Inactive Selective 7213 1HNA GLU 188 H -8.411 8.012 -13.666 -5.218 6 120 221 1303 2321 Inactive Selective 7214 1HNA GLY 189 H -7.49 9.02 -11.424 -4.719 5 131 120 1184 1897 Inactive Gatekeeper 7215 1HNA LEU 190 C -7.488 9.025 -11.433 -4.718 5 147 65 1058 1463 Inactive Gatekeeper 7216 1HNA GLU 191 H -7.477 9.015 -11.478 -4.713 5 196 10 956 1109 Inactive Inactive 7217 1HNA LYS 192 H -7.497 8.915 -11.438 -4.696 5 243 19 856 834 Inactive Inactive 7218 1HNA ILE 193 H -7.614 9.279 -10.911 -4.582 5 262 29 781 621 Inactive Inactive 7219 1HNA SER 194 H -9.725 8.951 -14.019 -4.495 5 312 99 715 464 Inactive Inactive 7220 1HNA ALA 195 H -9.782 8.909 -14.065 -4.551 6 394 262 687 367 Inactive Inactive 7221 1HNA TYR 196 H -11.078 12.063 -15.406 -5.294 8 490 563 649 315 Gatekeeper Inactive 7222 1HNA MET 197 H -8.259 5.472 -13.343 -4.316 5 592 681 617 265 Selective Inactive 7223 1HNA LYS 198 H -8.2 5.71 -13.365 -4.307 5 668 769 613 307 Selective Inactive 7224 1HNA SER 199 T -8.067 6.395 -13.05 -4.228 5 717 835 633 475 Selective Inactive 7225 1HNA SER 200 T -7.728 8.703 -11.497 -4.108 5 754 931 697 762 Selective Inactive 7226 1HNA ARG 201 T -7.728 8.703 -11.496 -4.108 5 788 1127 788 1148 Selective Inactive 7227 1HNA PHE 202 T -8.034 10.935 -10.258 -3.973 4 876 1525 856 1562 Selective Gatekeeper 7228 1HNA LEU 203 T -8.076 11.164 -10.015 -3.954 4 870 1685 922 1957 Selective Gatekeeper 7229 1HNA PRO 204 T -8.214 11.697 -9.54 -3.962 4 836 1875 974 2362 Selective Gatekeeper 7230 1HNA ARG 205 T -11.307 12.111 -14.287 -4.354 7 - - - - - - 7231 1HNA PRO 206 T -11.322 12.122 -14.255 -4.356 7 - - - - - - 7232 1HNA VAL 207 C -11.395 11.997 -14.158 -4.334 7 - - - - - - 7233 1HNA PHE 208 T -12.912 17.105 -15.923 -5.644 8 - - - - - - 7234 1HNA THR 209 T -11.702 12.855 -15.739 -5.471 8 - - - - - - 7235 1HNA LYS 210 T -11.719 12.726 -15.743 -5.472 8 - - - - - - 7236 1HNA MET 211 T -11.701 12.862 -15.809 -5.558 8 - - - - - - 7237 1HNA ALA 212 T -10.859 13.192 -14.34 -5.295 8 - - - - - - 7238 1HNA VAL 213 T -9.038 11.991 -11.407 -4.603 7 - - - - - - 7239 1HNA PHE 214 T -8.168 10.65 -10.676 -4.149 4 - - - - - - 7240 1HNA GLY 215 T -8.168 10.65 -10.676 -4.149 4 - - - - - - 7241 1HNA ASN 216 T -8.168 10.65 -10.676 -4.149 4 - - - - - - 7242 1HNA LYS 217 C -8.168 10.65 -10.676 -4.149 4 - - - - - - 7243 1HUP ALA 88 C -4.168 2.306 -8.442 -3.126 1 - - - - - - 7244 1HUP ALA 89 C -4.168 2.306 -8.442 -3.126 1 - - - - - - 7245 1HUP SER 90 H -4.168 2.306 -8.442 -3.126 1 - - - - - - 7246 1HUP GLU 91 H -4.168 2.306 -8.442 -3.126 1 - - - - - - 7247 1HUP ARG 92 H -5.618 3.464 -11.204 -4 2 - - - - - - 7248 1HUP LYS 93 H -6.469 4.236 -13.979 -5.168 3 - - - - - - 7249 1HUP ALA 94 H -6.784 4.612 -14.807 -5.621 3 - - - - - - 7250 1HUP LEU 95 H -7.078 4.883 -15.38 -5.871 6 - - - - - - 7251 1HUP GLN 96 H -7.313 5.183 -15.473 -5.867 6 - - - - - - 7252 1HUP THR 97 H -7.521 5.527 -15.231 -5.761 6 - - - - - - 7253 1HUP GLU 98 H -8.249 7.548 -14.635 -5.147 6 - - - - - - 7254 1HUP MET 99 H -8.378 8.188 -13.777 -4.747 5 - - - - - - 7255 1HUP ALA 100 H -8.396 8.484 -13.243 -4.494 5 161 3 338 94 Inactive Inactive 7256 1HUP ARG 101 H -8.356 8.68 -12.897 -4.343 5 172 6 311 59 Inactive Inactive 7257 1HUP ILE 102 H -8.224 9.078 -12.724 -4.478 5 174 7 291 35 Inactive Inactive 7258 1HUP LYS 103 H -8.34 9.592 -12.887 -4.669 5 212 17 295 21 Inactive Inactive 7259 1HUP LYS 104 H -8.134 9.468 -12.666 -4.641 5 298 81 298 20 Inactive Inactive 7260 1HUP TRP 105 H -8.064 9.354 -12.622 -4.59 5 473 226 312 28 Inactive Inactive 7261 1HUP LEU 106 H -7.811 8.864 -12.137 -4.327 5 517 257 364 55 Inactive Inactive 7262 1HUP THR 107 H -6.133 7.258 -9.737 -4.257 2 602 358 452 113 Permissive Inactive 7263 1HUP PHE 108 H -5.852 7.472 -9.708 -4.276 2 775 570 541 189 Permissive Inactive 7264 1HUP SER 109 H -5.85 7.493 -9.711 -4.281 2 886 637 631 278 Permissive Inactive 7265 1HUP LEU 110 H -5.852 7.496 -9.703 -4.283 2 980 679 730 360 Permissive Inactive 7266 1HUP GLY 111 C -5.822 7.589 -9.79 -4.345 2 1170 770 824 444 Selective Inactive 7267 1HUP LYS 112 E -6.168 8.254 -10.251 -4.616 3 1308 805 931 539 Selective Inactive 7268 1HUP GLN 113 E -6.486 8.871 -11.452 -5.343 3 1355 830 1037 621 Selective Inactive 7269 1HUP VAL 114 E -6.497 8.846 -11.452 -5.355 3 1390 838 1119 697 Selective Permissive 7270 1HUP GLY 115 T -6.5 8.829 -11.449 -5.356 3 1469 853 1183 763 Selective Permissive 7271 1HUP ASN 116 T -6.633 8.765 -11.445 -5.401 3 1465 921 1238 835 Selective Selective 7272 1HUP LYS 117 E -7.013 8.751 -11.695 -5.586 3 1409 947 1291 867 Selective Selective 7273 1HUP PHE 118 E -9.199 12.229 -12.379 -5.396 7 1287 906 1348 887 Selective Selective 7274 1HUP PHE 119 E -8.714 14.583 -10.326 -5.266 7 1243 878 1361 875 Selective Selective 7275 1HUP LEU 120 E -6.099 8.861 -9.699 -5.03 3 1153 778 1311 822 Selective Selective 7276 1HUP THR 121 E -4.497 7.75 -8.362 -5.032 2 1000 567 1252 747 Permissive Permissive 7277 1HUP ASN 122 E -4.435 7.789 -8.515 -5.051 2 869 501 1178 660 Permissive Permissive 7278 1HUP GLY 123 E -4.423 7.811 -8.559 -5.055 2 764 459 1100 579 Permissive Inactive 7279 1HUP GLU 124 E -4.424 7.807 -8.558 -5.055 2 551 368 1023 495 Permissive Inactive 7280 1HUP ILE 125 E -4.46 7.745 -8.487 -5.056 2 400 332 952 400 Inactive Inactive 7281 1HUP MET 126 E -5.697 8.267 -10.038 -5.221 3 333 306 874 318 Inactive Inactive 7282 1HUP THR 127 C -6.755 8.933 -10.773 -5.257 3 277 295 796 242 Inactive Inactive 7283 1HUP PHE 128 H -10.037 13.74 -13.45 -5.21 7 192 279 721 176 Inactive Inactive 7284 1HUP GLU 129 H -9.385 10.668 -13.251 -4.745 5 153 201 636 98 Inactive Inactive 7285 1HUP LYS 130 H -9.361 10.644 -13.251 -4.709 5 126 111 555 58 Inactive Inactive 7286 1HUP VAL 131 H -9.386 10.554 -13.197 -4.669 5 80 7 488 26 Inactive Inactive 7287 1HUP LYS 132 H -9.455 9.907 -13.441 -4.626 5 85 4 445 11 Inactive Inactive 7288 1HUP ALA 133 H -9.181 8.152 -13.979 -4.411 5 127 77 473 9 Inactive Inactive 7289 1HUP LEU 134 H -9.248 6.747 -14.701 -4.308 5 112 111 527 20 Inactive Inactive 7290 1HUP CYS 135 H -8.362 5.596 -13.789 -4.228 5 104 189 607 39 Inactive Inactive 7291 1HUP VAL 136 H -6.312 6.492 -9.6 -3.716 2 124 264 690 75 Inactive Inactive 7292 1HUP LYS 137 H -6.305 6.507 -9.635 -3.72 2 140 387 781 136 Inactive Inactive 7293 1HUP PHE 138 H -6.306 6.515 -9.623 -3.72 2 166 511 845 208 Inactive Inactive 7294 1HUP GLN 139 C -6.307 6.522 -9.612 -3.718 2 194 709 899 275 Inactive Inactive 7295 1HUP ALA 140 C -6.321 6.56 -9.517 -3.706 2 253 1129 977 357 Gatekeeper Inactive 7296 1HUP SER 141 E -8.71 8.954 -12.508 -4.077 5 293 1541 1058 415 Gatekeeper Inactive 7297 1HUP VAL 142 E -9.412 11.594 -12.123 -3.978 5 346 1995 1156 520 Gatekeeper Permissive 7298 1HUP ALA 143 C -9.552 11.696 -11.987 -3.942 7 365 2324 1251 624 Gatekeeper Permissive 7299 1HUP THR 144 C -9.958 12.927 -11.935 -4.153 7 376 2587 1332 693 Gatekeeper Permissive 7300 1HUP PRO 145 C -10.188 11.002 -13.615 -4.352 7 379 2742 1379 743 Gatekeeper Permissive 7301 1HUP ARG 146 C -10.229 8.63 -15.381 -4.715 6 355 2706 1368 779 Gatekeeper Permissive 7302 1HUP ASN 147 C -10.062 8.387 -15.668 -4.829 6 355 2699 1327 805 Gatekeeper Permissive 7303 1HUP ALA 148 H -9.9 7.919 -16.021 -4.941 6 350 2634 1262 821 Gatekeeper Selective 7304 1HUP ALA 149 H -9.89 7.892 -16.067 -4.954 6 342 2563 1193 821 Gatekeeper Selective 7305 1HUP GLU 150 H -10.113 7.589 -16.733 -5.2 6 338 2441 1125 807 Gatekeeper Permissive 7306 1HUP ASN 151 H -10.295 7.505 -16.92 -5.243 6 312 2325 1065 802 Gatekeeper Inactive 7307 1HUP GLY 152 H -9.327 9.525 -13.573 -4.842 6 294 2135 1023 809 Gatekeeper Gatekeeper 7308 1HUP ALA 153 H -9.337 10.186 -13.163 -4.804 5 240 1719 960 795 Gatekeeper Inactive 7309 1HUP ILE 154 H -9.124 11.992 -12.297 -4.825 7 208 1310 889 851 Gatekeeper Gatekeeper 7310 1HUP GLN 155 H -8.733 11.907 -12.079 -4.861 5 156 859 825 847 Gatekeeper Gatekeeper 7311 1HUP ASN 156 H -6.913 12.056 -8.906 -4.802 4 139 532 771 871 Inactive Gatekeeper 7312 1HUP LEU 157 H -6.899 12.121 -8.927 -4.813 4 132 269 749 971 Inactive Gatekeeper 7313 1HUP ILE 158 C -6.889 12.103 -8.982 -4.812 4 137 115 761 1105 Inactive Gatekeeper 7314 1HUP LYS 159 C -6.893 12.076 -8.972 -4.811 4 172 79 804 1278 Inactive Gatekeeper 7315 1HUP GLU 160 C -6.906 12.082 -8.907 -4.809 4 230 53 862 1479 Inactive Gatekeeper 7316 1HUP GLU 161 C -8.602 12.389 -11.475 -4.981 7 342 65 953 1711 Inactive Gatekeeper 7317 1HUP ALA 162 E -9.206 11.624 -12.044 -4.762 7 477 135 1041 1945 Inactive Gatekeeper 7318 1HUP PHE 163 E -10.665 18.327 -10.923 -4.622 7 585 195 1112 2083 Permissive Gatekeeper 7319 1HUP LEU 164 E -10.442 17.144 -11.33 -4.665 7 673 211 1184 2126 Permissive Selective 7320 1HUP GLY 165 E -10.395 16.699 -11.728 -4.733 7 721 218 1233 2144 Permissive Selective 7321 1HUP ILE 166 E -9.841 12.883 -13.113 -4.935 7 795 220 1271 2121 Permissive Selective 7322 1HUP THR 167 E -8.029 7.421 -13.205 -5.142 3 894 217 1298 2036 Permissive Selective 7323 1HUP ASP 168 T -7.951 7.151 -13.548 -5.181 6 986 219 1307 1951 Permissive Selective 7324 1HUP GLU 169 T -6.237 4.37 -12.635 -5.232 3 1055 232 1310 1839 Permissive Selective 7325 1HUP LYS 170 T -5.124 4.726 -10.925 -5.027 3 1071 243 1274 1689 Permissive Selective 7326 1HUP THR 171 T -5.121 4.754 -10.93 -5.029 3 1066 244 1217 1518 Permissive Selective 7327 1HUP GLU 172 T -5.125 4.738 -10.914 -5.029 3 1018 245 1148 1317 Permissive Selective 7328 1HUP GLY 173 T -5.126 4.738 -10.909 -5.028 3 959 249 1075 1088 Permissive Gatekeeper 7329 1HUP GLN 174 T -5.219 4.827 -10.625 -4.993 3 850 228 973 826 Permissive Gatekeeper 7330 1HUP PHE 175 C -8.263 11.345 -12.177 -5.622 5 714 157 878 564 Permissive Inactive 7331 1HUP VAL 176 B -8.189 8.257 -12.884 -4.992 5 600 99 833 405 Permissive Inactive 7332 1HUP ASP 177 T -5.59 5.8 -10.548 -4.941 3 515 80 792 333 Inactive Inactive 7333 1HUP LEU 178 T -3.831 7.332 -7.035 -4.518 2 466 70 779 273 Inactive Inactive 7334 1HUP THR 179 T -3.734 7.538 -7.088 -4.506 2 442 89 801 273 Inactive Inactive 7335 1HUP GLY 180 T -3.581 7.633 -7.079 -4.451 2 406 122 865 295 Inactive Inactive 7336 1HUP ASN 181 C -3.581 7.636 -7.079 -4.451 2 366 227 934 342 Inactive Inactive 7337 1HUP ARG 182 B -3.585 7.854 -6.928 -4.429 2 370 405 1007 404 Inactive Inactive 7338 1HUP LEU 183 T -4.164 8.596 -7.063 -4.31 2 447 741 1067 477 Inactive Inactive 7339 1HUP THR 184 T -4.385 8.56 -6.923 -4.255 2 521 1096 1133 572 Gatekeeper Permissive 7340 1HUP TYR 185 T -5.647 13.232 -6.173 -4.304 4 701 1964 1200 688 Selective Permissive 7341 1HUP THR 186 T -5.662 13.264 -6.09 -4.301 4 843 2800 1266 812 Selective Selective 7342 1HUP ASN 187 C -7.071 12.81 -8.869 -4.87 4 1062 3788 1323 934 Selective Selective 7343 1HUP TRP 188 B -8.511 13.686 -11.637 -5.477 7 1347 4763 1377 1042 Selective Selective 7344 1HUP ASN 189 T -6.881 6.689 -12.324 -5.35 3 1874 5788 1382 1109 Selective Selective 7345 1HUP GLU 190 T -6.363 6.065 -12.241 -5.195 3 2425 6868 1401 1223 Selective Selective 7346 1HUP GLY 191 T -6.351 6.079 -12.283 -5.199 3 2731 7877 1427 1394 Selective Selective 7347 1HUP GLU 192 T -6.351 6.076 -12.281 -5.198 3 2867 8367 1443 1589 Selective Selective 7348 1HUP PRO 193 T -6.284 6.008 -12.353 -5.159 3 3081 8929 1457 1802 Selective Selective 7349 1HUP ASN 194 T -6.326 4.916 -12.746 -4.977 3 3501 9123 1488 1989 Selective Selective 7350 1HUP ASN 195 C -6.014 3.569 -12.391 -4.611 3 3734 9048 1536 2174 Selective Selective 7351 1HUP ALA 196 G -5.739 3.9 -12.049 -4.562 3 3827 8751 1592 2356 Selective Selective 7352 1HUP GLY 197 G -5.737 3.905 -12.058 -4.563 3 4026 8472 1644 2533 Selective Selective 7353 1HUP SER 198 G -5.765 3.817 -12.012 -4.547 3 4044 7639 1689 2657 Selective Selective 7354 1HUP ASP 199 C -5.84 3.906 -11.806 -4.515 3 3970 6832 1735 2834 Selective Selective 7355 1HUP GLU 200 C -6.308 4.528 -11.558 -4.503 3 3802 5866 1800 3091 Selective Selective 7356 1HUP ASP 201 C -9.145 5.803 -15.258 -5.036 6 3569 4919 1855 3370 Selective Selective 7357 1HUP CYS 202 E -11.439 12.95 -15.11 -4.834 8 3064 3916 1921 3615 Selective Selective 7358 1HUP VAL 203 E -11.547 14.855 -13.937 -4.675 7 2565 3019 1957 3652 Selective Selective 7359 1HUP LEU 204 E -11.453 14.786 -14.083 -4.767 7 2272 2117 1967 3577 Selective Selective 7360 1HUP LEU 205 E -10.628 11.185 -15.318 -5.346 6 2091 1695 1940 3423 Selective Selective 7361 1HUP LEU 206 T -10.451 9.734 -16.309 -5.587 6 1812 1173 1896 3221 Selective Selective 7362 1HUP LYS 207 T -10.489 9.293 -16.583 -5.671 6 1357 1014 1831 3008 Selective Selective 7363 1HUP ASN 208 T -10.494 9.218 -16.619 -5.686 6 1051 987 1727 2762 Selective Selective 7364 1HUP GLY 209 T -10.516 9.063 -16.649 -5.701 6 853 958 1629 2507 Selective Selective 7365 1HUP GLN 210 C -11.1 7.464 -18.176 -5.98 6 588 895 1547 2239 Selective Selective 7366 1HUP TRP 211 E -12.925 12.724 -18.425 -5.968 8 402 888 1478 2010 Gatekeeper Selective 7367 1HUP ASN 212 E -12.49 11.575 -17.412 -5.352 8 336 870 1408 1729 Gatekeeper Selective 7368 1HUP ASP 213 E -11.635 9.529 -16.523 -4.729 6 288 854 1294 1361 Gatekeeper Selective 7369 1HUP VAL 214 E -9.084 7.726 -12.979 -4.121 5 244 840 1191 985 Gatekeeper Selective 7370 1HUP PRO 215 T -8.277 7.538 -12.704 -4.333 5 221 847 1091 676 Gatekeeper Inactive 7371 1HUP CYS 216 T -8.01 7.957 -12.697 -4.505 5 - - - - - - 7372 1HUP SER 217 T -7.974 8.173 -12.659 -4.505 5 - - - - - - 7373 1HUP THR 218 T -7.972 8.197 -12.655 -4.504 5 - - - - - - 7374 1HUP SER 219 C -8.068 8.303 -12.606 -4.573 5 - - - - - - 7375 1HUP HIS 220 E -8.505 9.212 -12.604 -4.756 5 - - - - - - 7376 1HUP LEU 221 E -9.58 11.876 -12.186 -4.489 7 - - - - - - 7377 1HUP ALA 222 E -10.855 13.65 -12.986 -4.408 7 - - - - - - 7378 1HUP VAL 223 E -11.57 15.252 -12.641 -4.277 7 - - - - - - 7379 1HUP CYS 224 E -11.588 14.732 -14.024 -5.115 8 - - - - - - 7380 1HUP GLU 225 E -8.947 13.286 -9.808 -4.08 4 - - - - - - 7381 1HUP PHE 226 E -8.947 13.286 -9.808 -4.08 4 - - - - - - 7382 1HUP PRO 227 E -8.947 13.286 -9.808 -4.08 4 - - - - - - 7383 1HUP ILE 228 C -8.947 13.286 -9.808 -4.08 4 - - - - - - 7384 1HZI HIS 1 T -5.483 4.763 -11.489 -4.712 3 - - - - - - 7385 1HZI LYS 2 T -5.483 4.763 -11.489 -4.712 3 - - - - - - 7386 1HZI CYS 3 T -5.483 4.763 -11.489 -4.712 3 - - - - - - 7387 1HZI ASP 4 T -5.483 4.763 -11.489 -4.712 3 - - - - - - 7388 1HZI ILE 5 H -5.734 5.259 -11.706 -5.054 3 - - - - - - 7389 1HZI THR 6 H -6.164 6.569 -11.746 -5.561 3 - - - - - - 7390 1HZI LEU 7 H -8.299 10.336 -13.808 -6.356 6 - - - - - - 7391 1HZI GLN 8 H -9.334 11.196 -13.468 -5.027 6 - - - - - - 7392 1HZI ALA 9 H -9.106 11.728 -12.52 -4.693 7 - - - - - - 7393 1HZI ILE 10 H -9.251 13.256 -11.907 -4.72 7 - - - - - - 7394 1HZI ILE 11 H -9.244 13.157 -11.97 -4.724 7 - - - - - - 7395 1HZI LYS 12 H -9.208 12.992 -12.156 -4.762 7 - - - - - - 7396 1HZI THR 13 H -9.327 13.384 -11.968 -4.812 7 186 2 1652 3395 Inactive Permissive 7397 1HZI LEU 14 H -9.822 14.322 -12.251 -5.014 7 176 2 1612 3306 Inactive Permissive 7398 1HZI ASN 15 H -10.214 11.243 -15.074 -5.375 6 147 2 1590 3177 Inactive Permissive 7399 1HZI SER 16 H -10.3 11.08 -15.251 -5.427 6 134 0 1555 3040 Inactive Permissive 7400 1HZI LEU 17 H -10.549 10.966 -15.734 -5.554 8 124 0 1515 2885 Inactive Permissive 7401 1HZI THR 18 H -10.12 9.808 -16.307 -5.906 6 102 0 1477 2635 Inactive Permissive 7402 1HZI GLU 19 C -9.95 9.546 -16.408 -5.895 6 104 0 1447 2442 Inactive Permissive 7403 1HZI GLN 20 C -10.096 9.219 -16.817 -6.042 6 96 0 1420 2283 Inactive Permissive 7404 1HZI LYS 21 C -9.119 10.068 -14.092 -5.554 6 88 0 1391 2104 Inactive Inactive 7405 1HZI THR 22 T -8.994 10.355 -14.088 -5.601 6 71 1 1362 1899 Inactive Inactive 7406 1HZI LEU 23 T -8.968 10.64 -13.891 -5.557 6 57 3 1335 1722 Inactive Inactive 7407 1HZI CYS 24 T -8.52 11.148 -13.178 -5.631 6 74 6 1301 1550 Inactive Inactive 7408 1HZI THR 25 T -8.364 11.6 -12.783 -5.5 6 106 6 1280 1394 Inactive Inactive 7409 1HZI GLU 26 T -8.258 12.172 -12.102 -5.324 5 158 9 1283 1232 Inactive Inactive 7410 1HZI LEU 27 T -8.282 12.227 -11.998 -5.291 5 273 20 1314 1192 Inactive Inactive 7411 1HZI THR 28 E -8.26 12.387 -11.883 -5.254 7 371 26 1324 1226 Inactive Inactive 7412 1HZI VAL 29 E -8.518 12.905 -11.425 -5.007 7 483 33 1324 1240 Inactive Inactive 7413 1HZI THR 30 E -8.696 13.034 -11.398 -4.998 7 625 38 1319 1250 Inactive Inactive 7414 1HZI ASP 31 T -9.229 14.847 -11.568 -5.049 7 833 56 1325 1282 Inactive Inactive 7415 1HZI ILE 32 T -8.294 13.623 -9.741 -4.43 4 1145 92 1327 1325 Permissive Inactive 7416 1HZI PHE 33 T -6.872 10.753 -8.901 -4.246 4 1316 110 1357 1456 Permissive Inactive 7417 1HZI ALA 34 T -6.133 6.907 -10.257 -4.249 2 1454 135 1414 1701 Permissive Inactive 7418 1HZI ALA 35 T -5.801 5.907 -10.793 -4.361 3 1642 149 1481 2122 Permissive Permissive 7419 1HZI SER 36 T -5.328 5.531 -10.702 -4.553 3 1781 151 1523 2540 Permissive Permissive 7420 1HZI LYS 37 T -5.325 5.511 -10.739 -4.567 3 1902 150 1555 2983 Permissive Permissive 7421 1HZI ASN 38 T -5.366 5.153 -10.88 -4.591 3 1961 154 1559 3408 Permissive Permissive 7422 1HZI THR 39 C -5.494 5.108 -10.903 -4.676 3 1967 154 1540 3845 Permissive Selective 7423 1HZI THR 40 C -5.669 5.288 -10.695 -4.733 3 1927 146 1517 4221 Permissive Selective 7424 1HZI GLU 41 H -7.978 7.986 -13.988 -5.811 6 1874 150 1497 4533 Permissive Selective 7425 1HZI LYS 42 H -9.093 9.172 -15.104 -5.841 6 1803 146 1482 4844 Permissive Selective 7426 1HZI GLU 43 H -9.371 9.495 -14.822 -5.777 6 1718 173 1460 5264 Permissive Selective 7427 1HZI THR 44 H -10.583 11.457 -15.477 -6.044 8 1663 278 1433 5842 Permissive Selective 7428 1HZI PHE 45 H -13.161 16.562 -17.616 -6.605 8 1493 385 1414 6313 Selective Gatekeeper 7429 1HZI CYS 46 H -13.309 13.544 -18.045 -5.631 8 1538 455 1395 6600 Selective Gatekeeper 7430 1HZI ARG 47 H -13.113 12.378 -17.329 -4.867 8 1657 477 1357 6721 Selective Gatekeeper 7431 1HZI ALA 48 H -10.971 13.681 -12.055 -3.899 7 1792 551 1295 6594 Selective Gatekeeper 7432 1HZI ALA 49 H -10.675 13.58 -12.207 -3.911 7 1935 564 1272 6449 Selective Gatekeeper 7433 1HZI THR 50 H -10.597 13.497 -12.454 -3.982 7 2141 563 1254 6266 Selective Gatekeeper 7434 1HZI VAL 51 H -10.598 13.526 -12.43 -3.979 7 2451 562 1258 6020 Selective Gatekeeper 7435 1HZI LEU 52 H -10.603 13.534 -12.397 -3.974 7 2849 564 1268 5696 Selective Gatekeeper 7436 1HZI ARG 53 H -11.04 13.341 -12.937 -4.087 7 3400 619 1264 5407 Selective Gatekeeper 7437 1HZI GLN 54 H -11.784 13.26 -14.344 -4.559 7 3665 621 1284 5100 Selective Gatekeeper 7438 1HZI PHE 55 H -12.984 16.983 -15.668 -5.369 8 3791 630 1298 4783 Selective Gatekeeper 7439 1HZI TYR 56 H -12.649 14.882 -16.702 -5.73 8 3775 598 1293 4302 Selective Gatekeeper 7440 1HZI SER 57 H -10.593 8.671 -15.969 -5.249 6 3635 477 1271 3657 Selective Inactive 7441 1HZI HIS 58 H -10.454 8.563 -16.333 -5.346 6 3509 344 1241 3089 Selective Inactive 7442 1HZI HIS 59 H -10.305 8.538 -16.478 -5.38 6 3304 266 1188 2613 Permissive Inactive 7443 1HZI GLU 60 H -9.059 6.561 -14.855 -4.867 6 3055 246 1133 2190 Permissive Inactive 7444 1HZI LYS 61 C -8.638 6.277 -14.785 -4.852 6 2743 186 1077 1848 Permissive Inactive 7445 1HZI ASP 62 T -8.602 6.295 -14.784 -4.83 6 2470 201 1023 1519 Permissive Inactive 7446 1HZI THR 63 T -8.03 7.419 -13.313 -4.725 5 2190 241 973 1216 Permissive Inactive 7447 1HZI ARG 64 T -7.969 7.497 -13.352 -4.729 5 1915 304 952 1035 Permissive Inactive 7448 1HZI CYS 65 T -6.686 6.891 -11.488 -4.806 3 1588 330 942 1035 Permissive Inactive 7449 1HZI LEU 66 T -4.885 5.651 -8.831 -4.163 2 1188 306 936 1114 Permissive Inactive 7450 1HZI GLY 67 C -4.449 4.738 -9.477 -4.38 2 1126 340 943 1368 Inactive Inactive 7451 1HZI ALA 68 C -4.427 4.769 -9.541 -4.392 2 1126 338 973 1812 Inactive Inactive 7452 1HZI THR 69 C -4.427 4.77 -9.541 -4.392 2 1246 342 1063 2474 Permissive Inactive 7453 1HZI ALA 70 H -4.439 4.728 -9.505 -4.384 2 1540 370 1173 3341 Selective Inactive 7454 1HZI GLN 71 H -4.792 4.024 -10.154 -4.587 2 2006 449 1305 4392 Selective Gatekeeper 7455 1HZI GLN 72 H -6.371 5.717 -11.318 -4.731 3 2331 464 1451 5622 Selective Selective 7456 1HZI PHE 73 H -9.264 9.026 -14.112 -5.268 6 2655 487 1604 7015 Selective Selective 7457 1HZI HIS 74 H -11.194 11.521 -18.078 -6.987 8 2870 474 1748 8509 Selective Selective 7458 1HZI ARG 75 H -11.942 13.868 -19.956 -8.988 8 2957 455 1867 9987 Selective Selective 7459 1HZI HIS 76 H -13.708 14.667 -19.131 -6.355 8 2967 419 1980 11447 Selective Selective 7460 1HZI LYS 77 H -13.129 15.189 -16.982 -5.672 8 2934 381 2060 12858 Selective Selective 7461 1HZI GLN 78 H -13.152 15.665 -16.665 -5.655 8 2884 373 2130 14166 Selective Selective 7462 1HZI LEU 79 H -13.152 16.126 -16.385 -5.626 8 2862 415 2211 15287 Selective Selective 7463 1HZI ILE 80 H -13.128 16.269 -16.382 -5.633 8 2641 407 2279 16015 Selective Selective 7464 1HZI ARG 81 H -13.212 16.262 -16.335 -5.605 8 2503 428 2313 16359 Selective Selective 7465 1HZI PHE 82 H -14.015 19.002 -16.782 -5.868 8 2370 449 2306 16372 Selective Selective 7466 1HZI LEU 83 H -14.116 19.019 -16.841 -5.825 8 2065 450 2297 16083 Selective Selective 7467 1HZI LYS 84 H -13.991 16.068 -17.996 -5.684 8 1579 372 2264 15504 Selective Selective 7468 1HZI ARG 85 H -13.469 13.057 -18.161 -5.348 8 1246 389 2224 14612 Selective Selective 7469 1HZI LEU 86 H -13.359 13.14 -17.933 -5.246 8 910 383 2138 13435 Gatekeeper Selective 7470 1HZI ASP 87 H -13.371 12.937 -17.977 -5.22 8 687 494 2070 12074 Gatekeeper Selective 7471 1HZI ARG 88 H -13.158 12.797 -17.891 -5.199 8 578 720 1988 10638 Gatekeeper Selective 7472 1HZI ASN 89 H -13.157 13.151 -17.759 -5.234 8 505 944 1894 9171 Gatekeeper Selective 7473 1HZI LEU 90 H -12.95 14.745 -16.293 -5.017 8 414 1195 1777 7682 Gatekeeper Selective 7474 1HZI TRP 91 H -11.047 11.201 -14.777 -4.886 6 336 1370 1634 6180 Gatekeeper Selective 7475 1HZI GLY 92 H -8.514 8.722 -12.239 -4.504 5 141 1559 1485 4783 Gatekeeper Selective 7476 1HZI LEU 93 H -7.775 9.469 -11.294 -4.495 5 115 1676 1330 3646 Gatekeeper Inactive 7477 1HZI ALA 94 H -5.509 5.33 -9.572 -4.035 2 93 1799 1218 2745 Gatekeeper Inactive 7478 1HZI GLY 95 C -5.172 5.064 -10.119 -4.313 2 69 1915 1115 2028 Gatekeeper Inactive 7479 1HZI LEU 96 C -5.146 5.075 -10.199 -4.32 2 68 1937 1018 1445 Gatekeeper Inactive 7480 1HZI ASN 97 C -4.831 6.031 -9.55 -4.345 2 76 2001 945 1001 Gatekeeper Inactive 7481 1HZI SER 98 C -4.741 6.091 -9.552 -4.331 2 73 1975 894 750 Gatekeeper Inactive 7482 1HZI CYS 99 C -4.915 6.431 -9.593 -4.452 2 73 1962 894 701 Gatekeeper Inactive 7483 1HZI PRO 100 C -5.043 7.094 -9.223 -4.37 2 86 1898 916 859 Gatekeeper Inactive 7484 1HZI VAL 101 C -5.045 7.184 -9.189 -4.384 2 117 1665 968 1258 Gatekeeper Inactive 7485 1HZI LYS 102 C -5.575 6.863 -10.029 -4.398 2 137 1439 1042 1826 Gatekeeper Inactive 7486 1HZI GLU 103 C -6.114 7.339 -10.675 -4.617 3 155 1169 1165 2604 Gatekeeper Inactive 7487 1HZI ALA 104 C -6.196 7.215 -10.54 -4.552 3 173 987 1299 3525 Gatekeeper Inactive 7488 1HZI ASN 105 C -7.017 7.77 -11.615 -4.964 3 189 727 1445 4530 Gatekeeper Selective 7489 1HZI GLN 106 E -8.408 6.578 -14.76 -5.46 6 198 572 1588 5642 Gatekeeper Selective 7490 1HZI SER 107 E -9.624 6.796 -16.455 -5.476 6 197 418 1723 6865 Gatekeeper Selective 7491 1HZI THR 108 E -9.873 6.89 -16.239 -5.413 6 195 277 1870 8249 Inactive Selective 7492 1HZI LEU 109 H -11.545 13.423 -15.869 -5.55 8 195 224 1988 9733 Inactive Selective 7493 1HZI GLU 110 H -11.592 13.789 -15.655 -5.556 8 210 149 2087 11195 Inactive Selective 7494 1HZI ASN 111 H -11.442 14.416 -15.319 -5.537 8 221 133 2166 12603 Inactive Selective 7495 1HZI PHE 112 H -11.777 17.074 -14.372 -5.584 8 285 103 2240 13844 Inactive Selective 7496 1HZI LEU 113 H -11.921 17.245 -14.293 -5.559 8 270 40 2307 14867 Inactive Selective 7497 1HZI GLU 114 H -11.56 14.863 -14.926 -5.569 8 258 34 2343 15546 Inactive Selective 7498 1HZI ARG 115 H -11.061 14.975 -13.984 -5.329 8 298 31 2366 15916 Inactive Selective 7499 1HZI LEU 116 H -11.043 15.051 -14.052 -5.412 8 383 22 2357 15930 Inactive Selective 7500 1HZI LYS 117 H -11.02 14.949 -14.182 -5.433 8 - - - - - - 7501 1HZI THR 118 H -10.719 13.869 -14.549 -5.464 8 - - - - - - 7502 1HZI ILE 119 H -10.798 13.894 -14.526 -5.466 8 - - - - - - 7503 1HZI MET 120 H -11.074 13.198 -15.236 -5.649 8 - - - - - - 7504 1HZI ARG 121 H -11.151 12.563 -15.537 -5.662 8 - - - - - - 7505 1HZI GLU 122 H -10.811 11.84 -16.919 -6.608 8 - - - - - - 7506 1HZI LYS 123 H -10.695 10.928 -17.963 -7.192 8 - - - - - - 7507 1HZI TYR 124 H -7.963 6.711 -13.448 -5.189 3 - - - - - - 7508 1HZI SER 125 H -6.615 3.953 -12.142 -4.23 3 - - - - - - 7509 1HZI LYS 126 H -5.419 2.902 -10.254 -3.47 2 - - - - - - 7510 1HZI CYS 127 H -5.419 2.902 -10.254 -3.47 2 - - - - - - 7511 1HZI SER 128 C -5.419 2.902 -10.254 -3.47 2 - - - - - - 7512 1HZI SER 129 C -5.419 2.902 -10.254 -3.47 2 - - - - - - 7513 1I1N TRP 2 C -6.486 5.165 -11.565 -4.361 3 - - - - - - 7514 1I1N LYS 3 C -6.486 5.165 -11.565 -4.361 3 - - - - - - 7515 1I1N SER 4 C -6.486 5.165 -11.565 -4.361 3 - - - - - - 7516 1I1N GLY 5 C -6.486 5.165 -11.565 -4.361 3 - - - - - - 7517 1I1N GLY 6 T -7.27 6.074 -13.252 -5.208 3 - - - - - - 7518 1I1N ALA 7 T -8.031 6.637 -14.303 -5.473 6 - - - - - - 7519 1I1N SER 8 T -8.721 7.023 -13.64 -4.57 5 - - - - - - 7520 1I1N HIS 9 H -8.765 6.966 -13.29 -4.377 5 - - - - - - 7521 1I1N SER 10 H -8.764 6.977 -13.292 -4.376 5 - - - - - - 7522 1I1N GLU 11 H -10.146 7.673 -14.852 -4.527 6 - - - - - - 7523 1I1N LEU 12 H -11.839 12.737 -15.781 -4.89 8 - - - - - - 7524 1I1N ILE 13 H -11.943 13.115 -15.621 -4.914 8 - - - - - - 7525 1I1N HIS 14 H -11.701 11.886 -16.05 -5.001 8 386 117 1539 2502 Inactive Selective 7526 1I1N ASN 15 H -11.777 11.539 -16.567 -5.176 8 285 67 1489 2338 Inactive Selective 7527 1I1N LEU 16 H -9.841 9.642 -13.91 -4.951 6 245 55 1406 2090 Inactive Selective 7528 1I1N ARG 17 H -9.198 8.978 -13.703 -4.862 6 211 48 1309 1866 Inactive Selective 7529 1I1N LYS 18 H -8.128 10.118 -11.478 -4.744 5 192 30 1214 1655 Inactive Selective 7530 1I1N ASN 19 H -7.633 10.437 -11.202 -4.867 4 197 30 1116 1514 Inactive Selective 7531 1I1N GLY 20 T -6.744 10.056 -9.51 -4.464 4 198 31 1042 1423 Inactive Gatekeeper 7532 1I1N ILE 21 T -6.66 10.149 -9.527 -4.44 4 178 31 965 1350 Inactive Gatekeeper 7533 1I1N ILE 22 T -6.604 10.087 -9.667 -4.472 4 185 31 885 1265 Inactive Inactive 7534 1I1N LYS 23 T -6.602 9.988 -9.717 -4.468 4 212 25 824 1233 Inactive Inactive 7535 1I1N THR 24 C -6.663 9.914 -9.578 -4.415 4 229 24 769 1214 Inactive Inactive 7536 1I1N ASP 25 H -7.335 9.849 -10.747 -4.554 4 245 15 714 1224 Inactive Inactive 7537 1I1N LYS 26 H -7.662 9.203 -11.462 -4.737 5 263 15 696 1282 Inactive Inactive 7538 1I1N VAL 27 H -8.187 8.937 -11.707 -4.657 5 357 16 707 1439 Inactive Gatekeeper 7539 1I1N PHE 28 H -10.659 14.22 -13.457 -5.035 7 395 18 727 1672 Inactive Gatekeeper 7540 1I1N GLU 29 H -10.232 12.307 -13.169 -4.649 7 377 13 773 1887 Inactive Gatekeeper 7541 1I1N VAL 30 H -10.088 12.475 -12.996 -4.665 7 395 8 822 2039 Inactive Gatekeeper 7542 1I1N MET 31 H -10.028 12.41 -13.182 -4.728 7 405 8 869 2175 Inactive Gatekeeper 7543 1I1N LEU 32 H -10.037 12.314 -13.216 -4.733 7 423 29 944 2267 Inactive Gatekeeper 7544 1I1N ALA 33 H -10.048 12.232 -13.217 -4.731 7 405 46 1004 2298 Inactive Gatekeeper 7545 1I1N THR 34 C -10.551 12.87 -13.43 -4.91 7 388 58 1064 2282 Inactive Gatekeeper 7546 1I1N ASP 35 C -11.324 12.054 -15.067 -5.288 8 385 73 1109 2246 Inactive Selective 7547 1I1N ARG 36 G -12.851 12.337 -17.345 -5.469 8 357 88 1122 2109 Inactive Selective 7548 1I1N SER 37 G -11.575 12.016 -14.593 -4.764 7 340 125 1115 1925 Inactive Selective 7549 1I1N HIS 38 G -9.225 11.255 -11.636 -4.509 5 315 161 1087 1697 Inactive Selective 7550 1I1N TYR 39 C -6.431 9.957 -8.951 -4.588 4 293 210 1045 1507 Inactive Gatekeeper 7551 1I1N ALA 40 C -4.567 6.761 -7.051 -3.727 2 194 239 998 1282 Inactive Inactive 7552 1I1N LYS 41 T -4.553 6.825 -7.095 -3.739 2 162 339 959 1017 Inactive Inactive 7553 1I1N CYS 42 T -4.553 6.825 -7.097 -3.74 2 157 448 916 788 Inactive Inactive 7554 1I1N ASN 43 T -4.554 6.824 -7.095 -3.739 2 133 480 857 608 Inactive Inactive 7555 1I1N PRO 44 T -4.579 6.687 -7.015 -3.702 2 102 504 802 437 Inactive Inactive 7556 1I1N TYR 45 T -6.785 9.549 -9.033 -4.269 4 76 494 715 293 Inactive Inactive 7557 1I1N MET 46 T -9.485 10.533 -12.827 -4.799 5 70 485 633 192 Inactive Inactive 7558 1I1N ASP 47 C -11.058 10.106 -16.416 -5.193 6 61 484 570 135 Inactive Inactive 7559 1I1N SER 48 C -10.806 9.55 -15.761 -4.767 6 60 477 528 86 Inactive Inactive 7560 1I1N PRO 49 C -8.876 9.103 -12.818 -4.708 5 77 751 500 68 Gatekeeper Inactive 7561 1I1N GLN 50 E -8.848 9.227 -12.847 -4.715 5 72 736 483 72 Gatekeeper Inactive 7562 1I1N SER 51 E -8.619 10.044 -12.293 -4.609 5 71 711 481 96 Gatekeeper Inactive 7563 1I1N ILE 52 C -8.56 10.346 -12.213 -4.609 5 70 685 483 140 Gatekeeper Inactive 7564 1I1N GLY 53 T -8.337 11.154 -11.712 -4.645 5 67 657 499 224 Inactive Inactive 7565 1I1N PHE 54 T -8.591 12.681 -11.069 -4.615 7 84 608 519 391 Inactive Inactive 7566 1I1N GLN 55 T -8.34 12.412 -10.831 -4.491 4 90 520 546 579 Inactive Inactive 7567 1I1N ALA 56 T -8.164 12.832 -10.041 -4.26 4 126 561 562 812 Inactive Inactive 7568 1I1N THR 57 E -8.047 13.002 -9.765 -4.158 4 136 552 588 1119 Inactive Inactive 7569 1I1N ILE 58 E -8.168 13.04 -9.568 -4.022 4 144 565 635 1524 Inactive Gatekeeper 7570 1I1N SER 59 C -8.183 12.947 -9.552 -4.004 4 191 590 698 2053 Inactive Gatekeeper 7571 1I1N ALA 60 C -8.374 13.364 -9.182 -3.899 4 366 680 767 2725 Inactive Gatekeeper 7572 1I1N PRO 61 H -8.89 13.638 -9.397 -3.915 4 413 691 847 3602 Gatekeeper Gatekeeper 7573 1I1N HIS 62 H -10.349 13.68 -12.551 -4.423 7 550 411 950 4644 Permissive Gatekeeper 7574 1I1N MET 63 H -10.832 14.582 -13.193 -4.807 7 643 396 1047 5550 Permissive Gatekeeper 7575 1I1N HIS 64 H -11.203 16.13 -12.848 -4.985 7 721 389 1158 6318 Permissive Selective 7576 1I1N ALA 65 H -11.687 16.599 -12.998 -4.987 7 795 373 1274 6977 Permissive Selective 7577 1I1N TYR 66 H -12.735 18.107 -14.523 -5.273 8 888 386 1372 7509 Permissive Selective 7578 1I1N ALA 67 H -12.92 18.022 -14.526 -4.98 8 925 338 1455 7800 Permissive Selective 7579 1I1N LEU 68 H -12.931 18.047 -14.492 -4.962 8 976 326 1521 7918 Permissive Selective 7580 1I1N GLU 69 H -12.379 14.91 -15.56 -5.371 8 974 277 1585 7859 Permissive Selective 7581 1I1N LEU 70 H -12.218 14.66 -15.641 -5.375 8 1040 301 1627 7677 Permissive Selective 7582 1I1N LEU 71 H -11.828 15.02 -14.87 -5.289 8 1049 303 1654 7341 Permissive Selective 7583 1I1N PHE 72 G -11.6 14.168 -15.093 -5.258 8 1008 286 1644 6847 Permissive Selective 7584 1I1N ASP 73 G -11.295 12.249 -15.691 -5.185 8 842 231 1595 6189 Permissive Selective 7585 1I1N GLN 74 G -11.331 11.843 -15.874 -5.165 8 791 264 1520 5316 Permissive Selective 7586 1I1N LEU 75 C -9.34 8.56 -12.945 -4.26 5 645 503 1410 4271 Permissive Selective 7587 1I1N HIS 76 T -9.161 8.13 -13.483 -4.388 5 580 782 1318 3359 Selective Selective 7588 1I1N GLU 77 T -9.009 8.23 -13.565 -4.432 5 666 1338 1226 2575 Selective Selective 7589 1I1N GLY 78 T -8.893 8.775 -13.288 -4.405 5 713 1941 1135 1887 Selective Selective 7590 1I1N ALA 79 T -8.893 8.777 -13.284 -4.404 5 735 2380 1072 1303 Selective Inactive 7591 1I1N LYS 80 E -9.252 9.057 -13.652 -4.549 5 770 2759 1036 911 Selective Inactive 7592 1I1N ALA 81 E -9.457 10.007 -13.053 -4.443 5 861 3274 1020 707 Selective Inactive 7593 1I1N LEU 82 E -9.854 11.329 -12.28 -4.299 7 920 3601 1014 691 Selective Inactive 7594 1I1N ASP 83 E -10.943 10.388 -15 -4.513 6 949 4064 1009 696 Selective Inactive 7595 1I1N VAL 84 E -10.458 9.899 -15.204 -4.841 6 1023 4522 992 759 Selective Inactive 7596 1I1N GLY 85 T -9.117 7.588 -14.74 -5.331 6 1139 4965 989 930 Selective Inactive 7597 1I1N SER 86 T -8.94 8.223 -14.495 -5.332 6 1182 5050 1002 1073 Selective Inactive 7598 1I1N GLY 87 T -8.827 8.963 -14.117 -5.273 6 1214 5085 1048 1265 Selective Inactive 7599 1I1N SER 88 T -8.794 9.312 -13.964 -5.265 6 1208 4850 1115 1450 Selective Selective 7600 1I1N GLY 89 T -8.621 10.638 -13.016 -5.116 5 1192 4591 1170 1601 Selective Selective 7601 1I1N ILE 90 H -8.889 12.825 -11.951 -4.934 7 1052 4035 1207 1763 Selective Selective 7602 1I1N LEU 91 H -9.054 13.706 -11.365 -4.819 7 980 3437 1243 1887 Selective Selective 7603 1I1N THR 92 H -9.223 14.141 -11.045 -4.755 7 931 2994 1280 1969 Selective Selective 7604 1I1N ALA 93 H -9.317 14.197 -10.822 -4.707 7 881 2637 1304 2003 Selective Selective 7605 1I1N CYS 94 H -10.694 15.133 -12.014 -4.631 7 816 2207 1302 1982 Selective Selective 7606 1I1N PHE 95 H -11.696 16.017 -12.722 -4.49 7 811 2021 1302 1882 Selective Selective 7607 1I1N ALA 96 H -11.835 15.161 -13.076 -4.434 7 757 1584 1304 1817 Selective Selective 7608 1I1N ARG 97 H -11.873 11.738 -15.64 -4.976 8 712 1168 1308 1746 Selective Selective 7609 1I1N MET 98 H -8.386 8.295 -11.956 -4.43 5 620 725 1321 1595 Selective Selective 7610 1I1N VAL 99 H -6.077 5.633 -10.518 -4.364 3 603 686 1351 1533 Selective Selective 7611 1I1N GLY 100 T -5.35 5.222 -10.323 -4.551 2 611 628 1364 1446 Permissive Selective 7612 1I1N CYS 101 T -5.246 5.595 -10.13 -4.464 2 613 622 1372 1401 Permissive Selective 7613 1I1N THR 102 T -5.244 5.614 -10.132 -4.463 2 605 595 1362 1412 Permissive Selective 7614 1I1N GLY 103 T -5.246 5.611 -10.125 -4.462 2 588 591 1351 1437 Permissive Selective 7615 1I1N LYS 104 E -5.409 5.626 -10.01 -4.493 2 538 579 1317 1522 Permissive Selective 7616 1I1N VAL 105 E -6.308 7.675 -9.183 -4.01 2 474 567 1269 1632 Permissive Selective 7617 1I1N ILE 106 E -8.222 10.637 -10.821 -4.129 4 428 538 1219 1769 Inactive Selective 7618 1I1N GLY 107 E -8.723 10.918 -11.243 -4.254 4 343 444 1198 1947 Inactive Selective 7619 1I1N ILE 108 E -9.695 13.874 -11.008 -4.26 7 252 279 1185 2165 Inactive Selective 7620 1I1N ASP 109 E -10.774 13.205 -12.666 -4.219 7 205 213 1181 2375 Inactive Selective 7621 1I1N HIS 110 C -11.665 13.468 -14.999 -4.802 8 155 145 1201 2565 Inactive Selective 7622 1I1N ILE 111 C -10.911 13.53 -12.892 -4.335 7 129 129 1205 2703 Inactive Selective 7623 1I1N LYS 112 H -10.604 12.36 -13.168 -4.281 7 96 37 1195 2800 Inactive Selective 7624 1I1N GLU 113 H -10.603 12.325 -13.191 -4.282 7 56 8 1198 2879 Inactive Selective 7625 1I1N LEU 114 H -10.611 12.326 -13.14 -4.267 7 65 15 1200 2918 Inactive Selective 7626 1I1N VAL 115 H -10.626 12.249 -13.115 -4.248 7 74 109 1212 2866 Inactive Selective 7627 1I1N ASP 116 H -11.003 10.96 -13.997 -4.316 7 114 232 1218 2746 Inactive Selective 7628 1I1N ASP 117 H -12.448 8.885 -18.637 -4.911 6 122 321 1220 2568 Inactive Selective 7629 1I1N SER 118 H -12.564 8.291 -19.186 -4.978 6 128 405 1203 2379 Inactive Selective 7630 1I1N VAL 119 H -12.155 9.148 -17.414 -4.509 6 134 470 1182 2161 Inactive Selective 7631 1I1N ASN 120 H -12.057 8.889 -17.472 -4.489 6 145 568 1137 1903 Inactive Selective 7632 1I1N ASN 121 H -12.122 9.131 -17.19 -4.419 6 160 672 1071 1626 Inactive Gatekeeper 7633 1I1N VAL 122 H -12.19 9.465 -16.846 -4.292 6 158 717 1000 1351 Gatekeeper Gatekeeper 7634 1I1N ARG 123 H -12.031 8.475 -17.393 -4.38 6 166 786 905 1099 Gatekeeper Inactive 7635 1I1N LYS 124 H -10.452 5.842 -16.974 -5.027 6 178 852 829 900 Gatekeeper Inactive 7636 1I1N ASP 125 H -9.832 7.251 -15.41 -4.808 6 186 898 757 702 Gatekeeper Inactive 7637 1I1N ASP 126 C -9.569 8.553 -14.428 -4.618 6 204 945 667 505 Gatekeeper Inactive 7638 1I1N PRO 127 H -9.007 9.875 -12.356 -4.132 5 235 987 587 320 Gatekeeper Inactive 7639 1I1N THR 128 H -8.849 9.921 -12.328 -4.12 5 237 893 521 200 Gatekeeper Inactive 7640 1I1N LEU 129 H -8.555 10.015 -11.986 -4.199 5 204 773 465 125 Gatekeeper Inactive 7641 1I1N LEU 130 H -8.596 10.163 -11.813 -4.164 5 239 741 426 85 Gatekeeper Inactive 7642 1I1N SER 131 H -8.635 10.1 -11.775 -4.158 5 257 721 401 59 Gatekeeper Inactive 7643 1I1N SER 132 H -8.87 9.805 -12.128 -4.319 5 258 700 371 55 Gatekeeper Inactive 7644 1I1N GLY 133 T -9.034 9.727 -12.083 -4.395 5 261 679 344 60 Inactive Inactive 7645 1I1N ARG 134 T -11.063 8.641 -16.002 -4.592 6 261 666 340 67 Inactive Inactive 7646 1I1N VAL 135 E -9.569 14.626 -9.613 -3.954 4 264 676 339 80 Inactive Inactive 7647 1I1N GLN 136 E -8.69 12.408 -10.254 -4.2 4 264 628 352 83 Inactive Inactive 7648 1I1N LEU 137 E -7.471 11.41 -9.169 -4.216 4 266 610 368 87 Inactive Inactive 7649 1I1N VAL 138 E -6.628 8.894 -9.689 -4.298 4 261 587 389 94 Inactive Inactive 7650 1I1N VAL 139 E -6.615 8.893 -9.76 -4.31 4 253 671 412 108 Inactive Inactive 7651 1I1N GLY 140 C -6.611 8.826 -9.818 -4.315 4 206 701 457 123 Gatekeeper Inactive 7652 1I1N ASP 141 C -6.603 8.717 -9.902 -4.323 4 190 710 526 149 Gatekeeper Inactive 7653 1I1N GLY 142 G -6.736 8.075 -10.127 -4.349 4 174 711 594 181 Gatekeeper Inactive 7654 1I1N ARG 143 G -8.173 7.867 -12.94 -4.607 5 131 659 655 218 Inactive Inactive 7655 1I1N MET 144 G -8.026 8.182 -12.642 -4.638 5 103 596 721 297 Inactive Inactive 7656 1I1N GLY 145 C -8.056 8.499 -12.568 -4.71 5 95 557 800 390 Inactive Inactive 7657 1I1N TYR 146 C -8.206 9.311 -12.53 -4.865 5 82 492 878 514 Inactive Inactive 7658 1I1N ALA 147 G -6.701 7.646 -10.311 -4.382 3 68 480 939 661 Inactive Inactive 7659 1I1N GLU 148 G -6.701 7.65 -10.313 -4.383 3 67 561 998 781 Inactive Inactive 7660 1I1N GLU 149 G -6.73 7.577 -10.212 -4.362 3 80 837 1045 901 Gatekeeper Inactive 7661 1I1N ALA 150 C -6.737 7.562 -10.173 -4.353 4 294 1828 1075 1008 Gatekeeper Inactive 7662 1I1N PRO 151 C -6.749 7.512 -10.125 -4.342 4 521 2905 1113 1124 Selective Permissive 7663 1I1N TYR 152 E -10.651 13.571 -13.317 -4.827 7 806 3788 1170 1238 Selective Permissive 7664 1I1N ASP 153 E -11.094 14.672 -12.737 -4.428 7 1464 5199 1220 1346 Selective Permissive 7665 1I1N ALA 154 E -10.567 14.461 -11.82 -4.112 7 2036 6665 1243 1401 Selective Selective 7666 1I1N ILE 155 E -10.274 14.514 -11.147 -3.942 7 2630 8182 1271 1440 Selective Selective 7667 1I1N HIS 156 E -9.989 13.746 -11.254 -3.866 7 3136 9577 1298 1450 Selective Selective 7668 1I1N VAL 157 E -9.389 12.785 -10.479 -3.509 4 3790 11198 1334 1401 Selective Selective 7669 1I1N GLY 158 C -9.084 11.726 -10.719 -3.408 4 4277 12664 1363 1343 Selective Permissive 7670 1I1N ALA 159 C -7.818 8.14 -9.897 -2.94 4 4672 13771 1389 1296 Selective Permissive 7671 1I1N ALA 160 B -6.669 8.241 -7.808 -2.631 2 4935 14600 1403 1209 Selective Permissive 7672 1I1N ALA 161 B -5.864 8.702 -6.577 -2.559 1 5056 15020 1415 1126 Selective Permissive 7673 1I1N PRO 162 T -5.705 8.591 -6.852 -2.662 1 5165 15354 1420 1046 Selective Permissive 7674 1I1N VAL 163 T -5.694 8.597 -6.9 -2.673 1 4997 14723 1422 965 Selective Permissive 7675 1I1N VAL 164 T -5.709 8.621 -6.828 -2.668 1 4913 14313 1398 857 Selective Permissive 7676 1I1N PRO 165 C -5.819 8.693 -6.699 -2.686 1 4663 13750 1341 745 Selective Permissive 7677 1I1N GLN 166 H -6.507 8.336 -7.929 -3.028 2 4042 12362 1273 641 Selective Permissive 7678 1I1N ALA 167 H -7.965 9.259 -9.778 -3.338 4 3586 11133 1214 585 Selective Permissive 7679 1I1N LEU 168 H -9.322 11.483 -11.401 -4.011 4 3160 9920 1164 549 Selective Permissive 7680 1I1N ILE 169 H -9.412 11.221 -11.384 -4.034 4 2772 9171 1113 533 Selective Permissive 7681 1I1N ASP 170 H -9.425 11.149 -11.398 -4.052 4 2328 8343 1053 532 Selective Inactive 7682 1I1N GLN 171 H -11.326 13.459 -14.956 -5.059 8 2033 7890 991 522 Selective Inactive 7683 1I1N LEU 172 E -7.869 9.873 -10.796 -4.7 5 2138 8634 932 469 Selective Inactive 7684 1I1N LYS 173 E -7.805 9.688 -11.116 -4.743 5 2576 9774 914 447 Selective Inactive 7685 1I1N PRO 174 E -7.78 9.716 -11.207 -4.751 5 3262 11716 911 461 Selective Inactive 7686 1I1N GLY 175 E -7.778 9.727 -11.215 -4.752 5 3953 13536 937 496 Selective Inactive 7687 1I1N GLY 176 E -7.778 9.731 -11.213 -4.751 5 4744 15561 983 560 Selective Inactive 7688 1I1N ARG 177 E -8.922 8.964 -13.725 -5.057 6 5606 17196 1034 655 Selective Inactive 7689 1I1N LEU 178 E -9.531 11.429 -12.89 -4.792 7 6587 19031 1109 742 Selective Permissive 7690 1I1N ILE 179 E -9.681 15.814 -10.101 -4.11 7 7444 21056 1187 879 Selective Permissive 7691 1I1N LEU 180 E -9.482 14.861 -10.053 -3.794 7 8065 22688 1245 1030 Selective Permissive 7692 1I1N PRO 181 E -7.636 9.699 -8.641 -3.05 4 8681 24202 1288 1185 Selective Permissive 7693 1I1N VAL 182 E -5.772 6.371 -8.461 -3.452 2 9221 24928 1336 1416 Selective Selective 7694 1I1N GLY 183 C -3.29 3.197 -7.421 -3.887 1 9674 25344 1382 1686 Selective Selective 7695 1I1N PRO 184 T -1.54 2.857 -5.714 -3.95 1 9892 24970 1448 1976 Selective Selective 7696 1I1N ALA 185 T -1.538 2.864 -5.73 -3.954 1 9612 23271 1519 2245 Selective Selective 7697 1I1N GLY 186 T -1.538 2.864 -5.73 -3.954 1 9194 21355 1566 2486 Selective Selective 7698 1I1N GLY 187 T -1.538 2.861 -5.727 -3.954 1 8516 18881 1578 2691 Selective Selective 7699 1I1N ASN 188 C -1.574 2.82 -5.577 -3.926 1 7868 16452 1589 2859 Selective Selective 7700 1I1N GLN 189 E -4.982 4.615 -9.679 -4.55 2 7170 14030 1597 2980 Selective Selective 7701 1I1N MET 190 E -7.642 5.327 -13.277 -4.96 3 6208 11707 1610 3074 Selective Selective 7702 1I1N LEU 191 E -10.507 11.197 -15.646 -5.917 8 5206 9421 1605 3163 Selective Selective 7703 1I1N GLU 192 E -13.304 12.906 -16.951 -5.25 8 4331 7288 1586 3130 Selective Selective 7704 1I1N GLN 193 E -15.874 18.387 -20.937 -7.052 8 3608 5411 1547 3015 Selective Selective 7705 1I1N TYR 194 E -13.36 15.953 -19.723 -8.223 8 2829 3595 1498 2853 Selective Selective 7706 1I1N ASP 195 E -10.771 9.819 -17.596 -6.634 6 2172 2220 1430 2595 Selective Selective 7707 1I1N LYS 196 E -7.348 7.185 -11.621 -4.762 3 1510 1010 1364 2297 Selective Selective 7708 1I1N LEU 197 T -5.423 4.475 -9.945 -4.188 2 1100 370 1278 1976 Permissive Selective 7709 1I1N GLN 198 T -4.709 5.478 -8.781 -4.113 2 882 224 1194 1683 Permissive Selective 7710 1I1N ASP 199 T -4.679 5.561 -8.864 -4.137 2 602 128 1114 1405 Permissive Selective 7711 1I1N GLY 200 T -4.674 5.583 -8.881 -4.141 2 471 145 1046 1141 Permissive Inactive 7712 1I1N SER 201 C -4.679 5.58 -8.857 -4.135 2 303 132 985 903 Inactive Inactive 7713 1I1N ILE 202 E -4.751 6.792 -8.268 -4.149 2 172 247 932 703 Inactive Inactive 7714 1I1N LYS 203 E -5.444 9.622 -8.254 -4.373 2 166 449 912 525 Inactive Inactive 7715 1I1N MET 204 E -5.461 10.264 -7.933 -4.385 4 195 676 875 360 Inactive Inactive 7716 1I1N LYS 205 E -5.12 10.018 -7.755 -4.422 2 237 1010 832 270 Gatekeeper Inactive 7717 1I1N PRO 206 E -4.85 10.309 -7.198 -4.276 2 299 1357 831 246 Gatekeeper Inactive 7718 1I1N LEU 207 E -4.336 9.565 -6.184 -3.938 2 353 1415 874 259 Gatekeeper Inactive 7719 1I1N MET 208 E -4.352 9.551 -6.129 -3.924 2 435 1489 925 307 Selective Inactive 7720 1I1N GLY 209 E -4.363 9.521 -6.08 -3.905 2 590 1693 961 336 Selective Inactive 7721 1I1N VAL 210 E -4.444 9.503 -5.852 -3.822 2 800 1882 1005 369 Selective Inactive 7722 1I1N ILE 211 C -4.566 9.204 -5.751 -3.774 2 903 1973 1039 412 Selective Inactive 7723 1I1N TYR 212 C -7.094 10.754 -9.417 -4.174 4 1003 2007 1063 465 Selective Inactive 7724 1I1N VAL 213 C -7.509 10.518 -9.624 -4.033 4 - - - - - - 7725 1I1N PRO 214 B -8.714 12.11 -9.593 -3.541 4 - - - - - - 7726 1I1N LEU 215 C -9.935 13.625 -11.047 -3.889 7 - - - - - - 7727 1I1N THR 216 C -9.602 7.737 -15.347 -5.302 6 - - - - - - 7728 1I1N ASP 217 C -9.605 7.57 -15.479 -5.341 6 - - - - - - 7729 1I1N LYS 218 H -9.667 7.025 -15.916 -5.535 6 - - - - - - 7730 1I1N GLU 219 H -9.503 7.976 -16.106 -5.941 6 - - - - - - 7731 1I1N LYS 220 H -9.366 8.396 -15.94 -5.937 6 - - - - - - 7732 1I1N GLN 221 H -8.55 8.743 -12.864 -4.909 5 - - - - - - 7733 1I1N TRP 222 C -4.013 6.465 -5.415 -2.997 1 - - - - - - 7734 1I1N SER 223 C -4.013 6.465 -5.415 -2.997 1 - - - - - - 7735 1I1N ARG 224 C -4.013 6.465 -5.415 -2.997 1 - - - - - - 7736 1I1N TRP 225 C -4.013 6.465 -5.415 -2.997 1 - - - - - - 7737 1I27 GLY 445 C -2.325 -0.649 -8.788 -3.702 1 - - - - - - 7738 1I27 PRO 446 G -2.325 -0.649 -8.788 -3.702 1 - - - - - - 7739 1I27 LEU 447 G -2.325 -0.649 -8.788 -3.702 1 - - - - - - 7740 1I27 GLY 448 G -2.325 -0.649 -8.788 -3.702 1 - - - - - - 7741 1I27 SER 449 C -2.774 -0.268 -9.652 -4.274 2 - - - - - - 7742 1I27 GLY 450 C -3.178 -0.041 -10.327 -4.852 3 - - - - - - 7743 1I27 ASP 451 C -5.953 3.704 -14.055 -5.8 3 - - - - - - 7744 1I27 VAL 452 C -6.33 7.102 -12.571 -5.46 3 - - - - - - 7745 1I27 GLN 453 C -6.385 8.638 -11.309 -5.047 3 - - - - - - 7746 1I27 VAL 454 C -6.477 9.692 -10.144 -4.573 4 - - - - - - 7747 1I27 THR 455 C -6.789 10.147 -10.135 -4.516 4 - - - - - - 7748 1I27 GLU 456 H -6.986 10.348 -10.08 -4.566 4 - - - - - - 7749 1I27 ASP 457 H -7.306 10.237 -10.469 -4.72 4 616 1077 1066 782 Selective Selective 7750 1I27 ALA 458 H -8.06 10.745 -11.092 -4.742 4 504 454 1051 754 Selective Selective 7751 1I27 VAL 459 H -9.016 10.548 -12.241 -4.721 5 515 194 1043 729 Selective Selective 7752 1I27 ARG 460 H -10.345 10.864 -13.592 -4.542 7 644 181 1027 758 Selective Selective 7753 1I27 ARG 461 H -11.764 9.381 -15.286 -3.982 6 669 157 968 755 Selective Selective 7754 1I27 TYR 462 H -12.127 14.092 -14.581 -4.956 8 693 162 903 765 Selective Selective 7755 1I27 LEU 463 H -9.228 12.201 -10.86 -4.333 4 636 150 841 691 Selective Selective 7756 1I27 THR 464 H -8.751 11.971 -11.231 -4.593 5 596 146 803 618 Selective Selective 7757 1I27 ARG 465 H -8.684 12.124 -11.335 -4.646 5 570 144 763 589 Selective Selective 7758 1I27 LYS 466 C -8.488 12.844 -11.264 -4.859 7 544 138 730 593 Selective Selective 7759 1I27 PRO 467 C -7.87 13.905 -9.892 -4.972 4 493 135 726 591 Selective Selective 7760 1I27 MET 468 B -7.456 12.508 -10.215 -5.102 4 415 87 715 586 Selective Gatekeeper 7761 1I27 THR 469 C -6.443 12.302 -8.269 -4.785 4 391 76 715 582 Permissive Gatekeeper 7762 1I27 THR 470 H -6.426 12.312 -8.306 -4.774 4 358 62 744 577 Permissive Selective 7763 1I27 LYS 471 H -6.411 12.244 -8.365 -4.758 4 349 34 770 586 Permissive Selective 7764 1I27 ASP 472 H -6.444 12.117 -8.325 -4.743 4 300 20 807 614 Inactive Selective 7765 1I27 LEU 473 H -6.507 12.219 -8.077 -4.698 4 193 9 837 601 Inactive Selective 7766 1I27 LEU 474 H -8.031 11.889 -10.386 -4.489 4 181 7 885 581 Inactive Selective 7767 1I27 LYS 475 H -8.384 11.213 -10.927 -4.528 5 180 1 925 532 Inactive Selective 7768 1I27 LYS 476 H -9.801 15.256 -12.305 -5.244 7 229 3 955 519 Inactive Selective 7769 1I27 PHE 477 C -9.818 14.447 -12.628 -5.146 7 283 4 965 504 Inactive Selective 7770 1I27 GLN 478 C -8.845 9.915 -12.813 -4.89 5 315 8 951 469 Permissive Selective 7771 1I27 THR 479 H -6.223 7.884 -10.591 -5.145 3 339 10 940 433 Permissive Selective 7772 1I27 LYS 480 H -6.07 8.219 -10.626 -5.162 3 346 12 910 388 Permissive Selective 7773 1I27 LYS 481 H -6.069 8.223 -10.635 -5.163 3 357 16 868 348 Permissive Permissive 7774 1I27 THR 482 H -6.065 8.207 -10.657 -5.157 3 357 23 802 302 Permissive Permissive 7775 1I27 GLY 483 C -6.064 8.175 -10.67 -5.154 3 353 23 714 251 Permissive Inactive 7776 1I27 LEU 484 C -6.899 9.122 -11.019 -5.164 3 321 23 615 193 Permissive Inactive 7777 1I27 SER 485 C -8.331 6.421 -14.109 -4.568 5 336 27 510 127 Permissive Inactive 7778 1I27 SER 486 H -8.383 6.006 -14.131 -4.442 5 316 27 411 77 Permissive Inactive 7779 1I27 GLU 487 H -8.586 5.902 -14.503 -4.487 5 291 26 316 48 Inactive Inactive 7780 1I27 GLN 488 H -9.023 7.326 -14.68 -4.575 5 265 27 237 33 Inactive Inactive 7781 1I27 THR 489 H -9.116 7.977 -14.466 -4.645 5 224 27 164 13 Inactive Inactive 7782 1I27 VAL 490 H -9.013 8.713 -13.471 -4.317 5 175 47 111 7 Inactive Inactive 7783 1I27 ASN 491 H -9.079 8.82 -13.308 -4.259 5 146 66 87 4 Inactive Inactive 7784 1I27 VAL 492 H -9.321 9.508 -12.695 -3.975 5 120 81 64 1 Gatekeeper Inactive 7785 1I27 LEU 493 H -9.433 9.595 -12.352 -3.821 5 111 95 55 0 Gatekeeper Inactive 7786 1I27 ALA 494 H -9.372 9.547 -12.429 -3.842 5 97 96 62 1 Gatekeeper Inactive 7787 1I27 GLN 495 H -9.442 10.606 -12.259 -4.038 5 88 93 73 3 Gatekeeper Inactive 7788 1I27 ILE 496 H -9.422 10.978 -12.088 -4.04 5 82 101 100 6 Gatekeeper Inactive 7789 1I27 LEU 497 H -9.009 11.078 -11.906 -4.257 5 76 101 127 13 Gatekeeper Inactive 7790 1I27 LYS 498 H -8.434 10.075 -11.597 -4.219 5 52 97 160 19 Gatekeeper Inactive 7791 1I27 ARG 499 H -8.45 10.073 -11.568 -4.227 5 47 98 193 28 Gatekeeper Inactive 7792 1I27 LEU 500 H -8.193 10.613 -11.079 -4.269 4 46 98 237 46 Gatekeeper Inactive 7793 1I27 ASN 501 C -8.115 10.539 -11.385 -4.396 5 66 116 287 61 Gatekeeper Inactive 7794 1I27 PRO 502 C -8.165 10.517 -11.454 -4.445 5 66 119 347 84 Gatekeeper Inactive 7795 1I27 GLU 503 E -8.175 11.82 -13.052 -6.13 6 97 99 438 124 Gatekeeper Inactive 7796 1I27 ARG 504 E -7.172 9.911 -10.789 -4.905 3 99 76 532 149 Inactive Inactive 7797 1I27 LYS 505 E -4.65 7.039 -7.884 -4.453 2 - - - - - - 7798 1I27 MET 506 E -1.99 5.885 -4.84 -4.203 2 - - - - - - 7799 1I27 ILE 507 E -1.926 6.124 -4.973 -4.268 2 - - - - - - 7800 1I27 ASN 508 T -1.923 6.136 -4.987 -4.272 2 - - - - - - 7801 1I27 ASP 509 T -1.923 6.136 -4.986 -4.272 2 - - - - - - 7802 1I27 LYS 510 E -1.93 6.122 -4.952 -4.267 2 - - - - - - 7803 1I27 MET 511 E -3.293 7.857 -5.902 -4.567 2 - - - - - - 7804 1I27 HIS 512 E -5.281 8.999 -8.443 -5.103 3 - - - - - - 7805 1I27 PHE 513 E -8.978 15.304 -12.965 -7.021 7 - - - - - - 7806 1I27 SER 514 E -7.265 8.073 -10.047 -3.963 4 - - - - - - 7807 1I27 LEU 515 C -7.265 8.073 -10.047 -3.963 4 - - - - - - 7808 1I27 LYS 516 C -7.265 8.073 -10.047 -3.963 4 - - - - - - 7809 1I27 GLU 517 C -7.265 8.073 -10.047 -3.963 4 - - - - - - 7810 1I2T HIS 1009 H -8.351 5.414 -12.787 -3.509 5 - - - - - - 7811 1I2T ARG 1010 H -8.351 5.414 -12.787 -3.509 5 - - - - - - 7812 1I2T GLN 1011 H -8.351 5.414 -12.787 -3.509 5 - - - - - - 7813 1I2T ALA 1012 H -8.351 5.414 -12.787 -3.509 5 - - - - - - 7814 1I2T LEU 1013 H -8.652 11.811 -11.066 -4.31 4 - - - - - - 7815 1I2T GLY 1014 H -8.649 13.19 -10.5 -4.436 4 - - - - - - 7816 1I2T GLU 1015 H -8.631 13.444 -10.299 -4.374 4 - - - - - - 7817 1I2T ARG 1016 H -8.661 13.645 -10.003 -4.29 4 - - - - - - 7818 1I2T LEU 1017 H -8.681 13.738 -9.812 -4.228 4 - - - - - - 7819 1I2T TYR 1018 H -9.317 13.715 -10.779 -4.463 7 - - - - - - 7820 1I2T PRO 1019 H -10.032 13.195 -11.247 -4.192 7 - - - - - - 7821 1I2T ARG 1020 H -12.342 10.994 -16.232 -4.279 8 - - - - - - 7822 1I2T VAL 1021 H -11.26 12.09 -14.864 -5.009 6 117 406 881 726 Inactive Selective 7823 1I2T GLN 1022 H -10.009 8.94 -14.565 -4.883 6 143 447 830 677 Inactive Selective 7824 1I2T ALA 1023 H -8.269 7.628 -12.156 -4.341 5 148 447 760 607 Inactive Selective 7825 1I2T MET 1024 H -8.219 7.885 -12.209 -4.382 5 151 451 700 539 Inactive Selective 7826 1I2T GLN 1025 T -8.02 8.459 -11.942 -4.326 5 149 481 652 474 Inactive Selective 7827 1I2T PRO 1026 T -7.551 8.921 -10.712 -3.874 4 146 525 613 414 Gatekeeper Selective 7828 1I2T ALA 1027 T -7.509 8.981 -10.706 -3.859 4 147 489 578 354 Gatekeeper Selective 7829 1I2T PHE 1028 T -7.681 9.54 -10.251 -3.703 4 144 441 533 287 Inactive Selective 7830 1I2T ALA 1029 H -7.675 9.604 -10.192 -3.678 4 130 346 479 216 Inactive Selective 7831 1I2T SER 1030 H -7.586 9.509 -10.304 -3.786 4 111 255 429 145 Inactive Permissive 7832 1I2T LYS 1031 H -8.027 10.034 -11.251 -4.281 4 104 227 375 91 Inactive Inactive 7833 1I2T ILE 1032 H -8.134 10.296 -11.259 -4.402 5 96 211 313 44 Inactive Inactive 7834 1I2T THR 1033 H -8.14 10.273 -11.287 -4.423 5 104 208 272 21 Inactive Inactive 7835 1I2T GLY 1034 H -8.029 10.239 -11.346 -4.483 5 122 224 254 14 Inactive Inactive 7836 1I2T MET 1035 H -8.493 11.569 -11.633 -4.697 5 180 266 245 11 Inactive Inactive 7837 1I2T LEU 1036 H -8.593 11.59 -11.492 -4.559 5 353 472 240 11 Inactive Inactive 7838 1I2T LEU 1037 H -8.455 10.352 -11.852 -4.401 5 499 652 231 9 Gatekeeper Inactive 7839 1I2T GLU 1038 H -7.387 5.819 -11.717 -3.908 3 626 777 225 8 Gatekeeper Inactive 7840 1I2T LEU 1039 C -7.414 5.386 -11.844 -3.864 3 770 890 208 7 Selective Inactive 7841 1I2T SER 1040 C -7.409 5.353 -11.878 -3.864 3 980 1074 189 6 Selective Inactive 7842 1I2T PRO 1041 H -7.416 5.25 -11.893 -3.857 5 1260 1292 170 3 Selective Inactive 7843 1I2T ALA 1042 H -7.444 5.136 -11.851 -3.849 5 1446 1329 165 2 Selective Inactive 7844 1I2T GLN 1043 H -8.997 7.078 -13.833 -4.246 5 1661 1359 167 6 Selective Inactive 7845 1I2T LEU 1044 H -9.498 9.16 -13.322 -4.368 5 1954 1409 175 10 Selective Inactive 7846 1I2T LEU 1045 H -9.579 11.522 -12.077 -4.252 5 2149 1429 199 16 Selective Inactive 7847 1I2T LEU 1046 H -9.53 11.616 -12.042 -4.268 5 2250 1439 238 57 Selective Inactive 7848 1I2T LEU 1047 H -9.516 11.59 -12.109 -4.289 5 2264 1418 316 144 Selective Inactive 7849 1I2T LEU 1048 H -9.307 10.072 -13.139 -4.477 5 2197 1321 417 276 Selective Gatekeeper 7850 1I2T ALA 1049 H -8.951 7.787 -14.185 -4.632 5 2043 1105 524 452 Selective Selective 7851 1I2T SER 1050 C -9.107 6.413 -15.226 -4.827 6 1908 908 633 683 Selective Selective 7852 1I2T GLU 1051 H -9.159 5.951 -15.493 -4.875 6 1789 742 744 879 Selective Selective 7853 1I2T ASP 1052 H -9.091 6.195 -15.306 -4.8 6 1642 576 844 1049 Selective Selective 7854 1I2T SER 1053 H -9.228 6.113 -15.237 -4.767 6 1428 389 940 1199 Permissive Selective 7855 1I2T LEU 1054 H -9.99 8.841 -14.703 -4.639 6 1185 170 1034 1317 Permissive Selective 7856 1I2T ARG 1055 H -10.124 8.875 -14.396 -4.503 6 1042 131 1128 1436 Permissive Selective 7857 1I2T ALA 1056 H -10.22 8.686 -14.235 -4.353 5 862 92 1199 1550 Permissive Selective 7858 1I2T ARG 1057 H -11.416 9.861 -16.209 -4.791 6 - - - - - - 7859 1I2T VAL 1058 H -10.347 14.034 -17.073 -8.289 8 - - - - - - 7860 1I2T ASP 1059 H -8.943 12.341 -16.418 -8.71 8 - - - - - - 7861 1I2T GLU 1060 H -7.638 11.855 -13.871 -7.874 6 - - - - - - 7862 1I2T ALA 1061 H -6.738 11.168 -12.081 -7.019 3 - - - - - - 7863 1I2T MET 1062 H -5.403 8.651 -10.362 -6.138 3 - - - - - - 7864 1I2T GLU 1063 H -3.636 6.445 -7.572 -4.938 2 - - - - - - 7865 1I2T LEU 1064 H -2.831 5.988 -6.308 -4.313 2 - - - - - - 7866 1I2T ILE 1065 H -2.264 5.128 -5.603 -3.772 1 - - - - - - 7867 1I2T ILE 1066 H -1.46 2.623 -5.087 -3.066 1 - - - - - - 7868 1I2T ALA 1067 H -1.46 2.623 -5.087 -3.066 1 - - - - - - 7869 1I2T HIS 1068 H -1.46 2.623 -5.087 -3.066 1 - - - - - - 7870 1I2T GLY 1069 C -1.46 2.623 -5.087 -3.066 1 - - - - - - 7871 1I4M GLY 119 C -3.389 5.06 -9.105 -4.911 2 - - - - - - 7872 1I4M ALA 120 C -3.389 5.06 -9.105 -4.911 2 - - - - - - 7873 1I4M VAL 121 C -3.389 5.06 -9.105 -4.911 2 - - - - - - 7874 1I4M VAL 122 T -3.389 5.06 -9.105 -4.911 2 - - - - - - 7875 1I4M GLY 123 T -2.743 4.914 -8.077 -4.963 2 - - - - - - 7876 1I4M GLY 124 T -2.789 4.975 -8.067 -5.043 2 - - - - - - 7877 1I4M LEU 125 T -2.897 5.062 -7.868 -5.044 2 - - - - - - 7878 1I4M GLY 126 T -2.91 5.006 -7.813 -5.023 2 - - - - - - 7879 1I4M GLY 127 T -2.932 4.928 -7.679 -4.953 2 - - - - - - 7880 1I4M TYR 128 T -5.686 10.759 -9.089 -5.544 4 - - - - - - 7881 1I4M MET 129 E -6.51 9.212 -10.067 -4.609 4 - - - - - - 7882 1I4M LEU 130 E -6.315 8.074 -10.176 -4.335 4 - - - - - - 7883 1I4M GLY 131 C -6.02 6.13 -10.437 -3.972 2 584 2035 878 182 Gatekeeper Permissive 7884 1I4M SER 132 C -6.024 6.05 -10.441 -3.953 2 542 1304 868 181 Gatekeeper Permissive 7885 1I4M ALA 133 C -6.021 6.034 -10.454 -3.948 2 492 899 841 176 Gatekeeper Permissive 7886 1I4M MET 134 C -6.207 5.212 -10.788 -3.783 2 451 614 824 173 Inactive Permissive 7887 1I4M SER 135 C -6.374 4.835 -10.85 -3.659 2 432 522 810 176 Inactive Permissive 7888 1I4M ARG 136 C -6.997 8.065 -10.54 -3.766 4 405 505 776 178 Inactive Permissive 7889 1I4M PRO 137 C -5.61 8.589 -7.528 -3.534 2 490 666 740 181 Gatekeeper Inactive 7890 1I4M ILE 138 C -4.268 7.983 -6.578 -3.897 2 793 824 745 225 Selective Selective 7891 1I4M ILE 139 C -4.256 7.978 -6.646 -3.91 2 1193 940 768 310 Selective Selective 7892 1I4M HIS 140 C -4.224 7.935 -6.819 -3.957 2 1710 1045 804 456 Selective Selective 7893 1I4M PHE 141 T -4.199 7.948 -6.932 -3.998 2 2141 1171 841 709 Selective Selective 7894 1I4M GLY 142 T -4.009 7.025 -7.63 -4.231 2 2844 1308 913 1090 Selective Selective 7895 1I4M SER 143 T -4.521 5.813 -9.235 -4.638 2 3771 1297 1003 1629 Selective Selective 7896 1I4M ASP 144 H -4.543 5.739 -9.209 -4.645 2 4723 1319 1099 2325 Selective Selective 7897 1I4M TYR 145 H -4.601 5.588 -9.134 -4.634 2 5665 1594 1209 3184 Selective Selective 7898 1I4M GLU 146 H -4.656 5.33 -9.087 -4.612 2 6294 1672 1351 4237 Selective Selective 7899 1I4M ASP 147 H -7.905 11.168 -14.835 -7.957 6 6806 1779 1499 5467 Selective Selective 7900 1I4M ARG 148 H -10.194 9.362 -16.71 -6.297 6 7366 1949 1640 6861 Selective Selective 7901 1I4M TYR 149 H -13.628 12.484 -21.997 -8.185 8 7710 1981 1773 8353 Selective Selective 7902 1I4M TYR 150 H -15.64 14.253 -21.452 -6.249 8 7740 1847 1891 9836 Selective Selective 7903 1I4M ARG 151 H -13.263 10.094 -19.504 -6.001 8 7603 1736 1985 11286 Selective Selective 7904 1I4M GLU 152 H -13.257 10.107 -19.536 -6.009 8 7412 1660 2074 12448 Selective Selective 7905 1I4M ASN 153 H -13.232 10.265 -19.569 -6.026 8 6886 1606 2151 13477 Selective Selective 7906 1I4M MET 154 G -13.204 10.46 -19.541 -6.012 8 6406 1476 2231 14323 Selective Selective 7907 1I4M HIS 155 G -13.203 10.444 -19.547 -6.009 8 5623 1303 2286 14957 Selective Selective 7908 1I4M ARG 156 G -14.409 13.81 -20.197 -6.096 8 4678 1280 2317 15328 Selective Selective 7909 1I4M TYR 157 C -11.161 13.926 -14.141 -5.546 8 3696 1213 2353 15431 Selective Selective 7910 1I4M PRO 158 C -10.801 15.104 -13.72 -5.647 8 2731 957 2367 15217 Selective Selective 7911 1I4M ASN 159 C -10.8 15.117 -13.724 -5.65 8 2154 875 2351 14618 Selective Selective 7912 1I4M GLN 160 C -10.8 15.118 -13.723 -5.65 8 1734 796 2314 13687 Selective Selective 7913 1I4M VAL 161 C -10.8 15.118 -13.721 -5.649 8 1280 780 2242 12461 Selective Selective 7914 1I4M TYR 162 E -11.261 16.533 -13.256 -5.774 8 1165 1088 2169 11057 Selective Selective 7915 1I4M TYR 163 E -11.413 12.906 -14.613 -5.128 8 1089 1156 2052 9585 Selective Selective 7916 1I4M ARG 164 C -7.844 7.322 -12.041 -4.533 5 973 1167 1912 8085 Selective Selective 7917 1I4M PRO 165 C -7.071 7.933 -11.352 -4.675 3 827 1187 1784 6836 Selective Selective 7918 1I4M MET 166 G -6.834 7.817 -11.398 -4.646 3 943 1143 1660 5657 Selective Selective 7919 1I4M ASP 167 G -6.822 7.807 -11.462 -4.657 3 1053 1172 1536 4555 Selective Selective 7920 1I4M GLU 168 G -6.817 7.807 -11.489 -4.662 3 1109 1165 1395 3542 Selective Selective 7921 1I4M TYR 169 C -6.84 7.877 -11.505 -4.698 3 1165 1184 1244 2624 Selective Selective 7922 1I4M SER 170 C -4.858 4.052 -9.791 -4.391 2 1213 1182 1089 1821 Selective Selective 7923 1I4M ASN 171 C -4.864 4.021 -9.778 -4.39 2 1220 1148 928 1171 Selective Selective 7924 1I4M GLN 172 H -4.862 4.041 -9.782 -4.391 2 1178 1134 776 711 Selective Selective 7925 1I4M ASN 173 H -4.862 4.041 -9.781 -4.391 2 1078 1082 632 404 Selective Gatekeeper 7926 1I4M ASN 174 H -4.865 4.022 -9.768 -4.389 2 949 888 519 222 Selective Gatekeeper 7927 1I4M PHE 175 H -7.82 9.111 -11.995 -4.819 5 696 488 438 119 Inactive Inactive 7928 1I4M VAL 176 H -8.063 9.263 -11.707 -4.727 5 638 387 399 83 Inactive Inactive 7929 1I4M HIS 177 H -9.741 8.803 -14.847 -4.863 6 587 323 397 76 Inactive Inactive 7930 1I4M ASP 178 H -10.409 6.766 -16.637 -4.65 6 512 237 377 66 Inactive Inactive 7931 1I4M CYS 179 H -10.334 7.203 -16.376 -4.636 6 385 213 350 54 Inactive Inactive 7932 1I4M VAL 180 H -9.495 8.546 -13.771 -4.248 5 262 141 320 42 Inactive Inactive 7933 1I4M ASN 181 H -9.199 9.295 -13.163 -4.29 5 201 118 304 30 Inactive Inactive 7934 1I4M ILE 182 H -9.227 9.46 -12.972 -4.266 5 153 68 308 31 Inactive Inactive 7935 1I4M THR 183 H -9.23 9.459 -12.952 -4.262 5 123 32 316 36 Inactive Inactive 7936 1I4M ILE 184 H -9.233 9.415 -12.966 -4.259 5 131 14 322 48 Inactive Inactive 7937 1I4M LYS 185 H -9.624 9.824 -13.024 -4.392 5 239 28 356 65 Inactive Inactive 7938 1I4M GLN 186 H -10.281 8.412 -15.295 -4.636 6 329 36 394 93 Inactive Inactive 7939 1I4M HIS 187 H -7.574 6.979 -11.271 -3.932 3 388 42 431 111 Inactive Inactive 7940 1I4M THR 188 H -6.531 6.223 -10.81 -4.042 2 458 50 464 122 Inactive Inactive 7941 1I4M VAL 189 H -6.456 6.173 -11.023 -4.075 3 521 56 492 138 Inactive Inactive 7942 1I4M THR 190 C -5.759 4.923 -10.939 -4.214 2 596 56 511 158 Inactive Inactive 7943 1I4M THR 191 C -4.907 4.424 -10.078 -4.316 2 639 56 535 180 Inactive Inactive 7944 1I4M THR 192 C -4.404 4.021 -9.863 -4.363 2 675 56 551 202 Inactive Inactive 7945 1I4M THR 193 C -4.389 3.979 -9.958 -4.399 2 689 56 564 217 Inactive Gatekeeper 7946 1I4M LYS 194 G -4.389 3.985 -9.959 -4.404 2 700 56 575 230 Inactive Gatekeeper 7947 1I4M GLY 195 G -4.431 3.957 -9.89 -4.413 2 704 56 583 229 Inactive Gatekeeper 7948 1I4M GLU 196 G -4.679 3.795 -9.93 -4.447 2 700 56 587 223 Inactive Gatekeeper 7949 1I4M ASN 197 G -6.148 4.371 -12.34 -5.043 3 669 54 597 215 Inactive Inactive 7950 1I4M PHE 198 C -7.664 8.019 -13.54 -5.782 6 562 32 575 199 Inactive Inactive 7951 1I4M THR 199 C -7.208 8.097 -11.64 -5.013 3 487 22 559 171 Inactive Inactive 7952 1I4M GLU 200 H -7.148 8.029 -11.803 -5.011 3 442 15 543 152 Inactive Inactive 7953 1I4M THR 201 H -7.151 7.979 -11.719 -4.933 3 381 6 524 139 Inactive Inactive 7954 1I4M ASP 202 H -7.148 7.984 -11.709 -4.919 3 347 1 515 123 Inactive Inactive 7955 1I4M VAL 203 H -7.126 8.004 -11.717 -4.898 3 292 3 488 102 Inactive Inactive 7956 1I4M LYS 204 H -8.091 8.484 -13.355 -5.009 5 276 4 450 76 Inactive Inactive 7957 1I4M MET 205 H -8.413 9.454 -13.279 -4.92 5 261 6 419 51 Inactive Inactive 7958 1I4M MET 206 H -8.394 9.523 -13.306 -4.931 5 261 9 393 35 Inactive Inactive 7959 1I4M GLU 207 H -8.156 8.547 -13.553 -4.876 5 274 12 380 25 Inactive Inactive 7960 1I4M ARG 208 H -8.14 7.427 -13.808 -4.641 5 392 21 372 32 Inactive Inactive 7961 1I4M VAL 209 H -7.526 6.17 -12.79 -4.309 5 517 28 380 44 Inactive Inactive 7962 1I4M VAL 210 H -7.196 6.143 -12.439 -4.275 5 731 33 407 60 Permissive Inactive 7963 1I4M GLU 211 H -6.938 5.995 -12.24 -4.225 3 1292 66 447 97 Permissive Inactive 7964 1I4M GLN 212 H -6.853 6.133 -12.158 -4.234 3 1571 87 469 141 Permissive Inactive 7965 1I4M MET 213 H -6.868 6.136 -12.148 -4.245 3 1774 95 495 182 Permissive Inactive 7966 1I4M CYS 214 H -7.012 6.298 -12.166 -4.302 3 - - - - - - 7967 1I4M ILE 215 H -7.234 6.376 -12.312 -4.375 5 - - - - - - 7968 1I4M THR 216 H -7.758 7.298 -13.026 -4.816 5 - - - - - - 7969 1I4M GLN 217 H -8.635 8.596 -16.718 -6.75 6 - - - - - - 7970 1I4M TYR 218 H -8.595 9.471 -17.468 -7.768 6 - - - - - - 7971 1I4M GLU 219 H -8.076 9.18 -15.975 -7.355 6 - - - - - - 7972 1I4M ARG 220 H -7.228 7.954 -13.736 -6.254 6 - - - - - - 7973 1I4M GLU 221 H -6.014 6.458 -11.364 -5.219 3 - - - - - - 7974 1I4M SER 222 H -5.069 5.816 -9.329 -4.251 2 - - - - - - 7975 1I4M GLN 223 H -3.421 4.729 -6.194 -3.184 1 - - - - - - 7976 1I4M ALA 224 H -3.421 4.729 -6.194 -3.184 1 - - - - - - 7977 1I4M TYR 225 C -3.421 4.729 -6.194 -3.184 1 - - - - - - 7978 1I4M TYR 226 C -3.421 4.729 -6.194 -3.184 1 - - - - - - 7979 1I71 ASP 0 C -9.618 10.529 -15.635 -6.468 6 - - - - - - 7980 1I71 CYS 1 E -9.618 10.529 -15.635 -6.468 6 - - - - - - 7981 1I71 TYR 2 E -9.618 10.529 -15.635 -6.468 6 - - - - - - 7982 1I71 HIS 3 T -9.618 10.529 -15.635 -6.468 6 - - - - - - 7983 1I71 GLY 4 T -9.548 7.093 -17.282 -6.407 6 - - - - - - 7984 1I71 ASP 5 T -9.776 4.555 -17.284 -5.43 6 - - - - - - 7985 1I71 GLY 6 T -9.844 3.854 -16.947 -4.992 6 - - - - - - 7986 1I71 GLN 7 T -9.848 3.793 -16.902 -4.952 6 - - - - - - 7987 1I71 SER 8 T -9.848 3.796 -16.902 -4.951 6 - - - - - - 7988 1I71 TYR 9 T -13.392 9.279 -18.044 -3.656 6 - - - - - - 7989 1I71 ARG 10 C -13.163 9.558 -17.015 -3.342 6 - - - - - - 7990 1I71 GLY 11 C -10.273 10.014 -11.199 -2.77 5 - - - - - - 7991 1I71 SER 12 C -10.104 10.496 -11.243 -2.833 4 264 575 685 572 Inactive Gatekeeper 7992 1I71 PHE 13 C -10.06 10.65 -11.416 -2.926 4 274 478 667 542 Inactive Gatekeeper 7993 1I71 SER 14 C -8.895 9.727 -12.36 -4.524 5 275 352 669 539 Inactive Gatekeeper 7994 1I71 THR 15 B -7.577 7.646 -9.362 -2.892 4 309 345 683 572 Inactive Gatekeeper 7995 1I71 THR 16 B -7.52 7.674 -9.482 -2.909 4 341 373 693 631 Inactive Gatekeeper 7996 1I71 VAL 17 T -7.197 7.468 -9.52 -2.903 4 333 360 712 683 Inactive Gatekeeper 7997 1I71 THR 18 T -7.137 7.438 -9.861 -3.057 4 367 452 730 734 Inactive Gatekeeper 7998 1I71 GLY 19 T -7.164 7.34 -9.743 -2.978 4 388 505 762 776 Inactive Gatekeeper 7999 1I71 ARG 20 C -7.511 7.297 -10.336 -3.206 4 388 557 787 798 Inactive Selective 8000 1I71 THR 21 B -7.574 7.203 -10.295 -3.223 4 412 601 816 808 Inactive Selective 8001 1I71 CYS 22 B -8.517 7.198 -13.095 -4.51 5 459 665 846 841 Inactive Selective 8002 1I71 GLN 23 C -11.612 9.432 -17.67 -6.086 8 501 658 864 877 Inactive Selective 8003 1I71 SER 24 T -12.727 10.926 -16.73 -4.801 8 507 613 879 876 Inactive Selective 8004 1I71 TRP 25 T -11.464 10.438 -13 -2.982 7 498 573 871 826 Inactive Selective 8005 1I71 SER 26 T -8.074 7.113 -9.03 -2.115 2 502 509 854 775 Inactive Selective 8006 1I71 SER 27 T -8.055 7.167 -9.108 -2.133 4 490 457 813 727 Inactive Selective 8007 1I71 MET 28 T -8.034 7.248 -9.253 -2.199 4 554 405 765 652 Inactive Gatekeeper 8008 1I71 THR 29 T -8.028 7.283 -9.305 -2.229 4 526 396 724 564 Inactive Gatekeeper 8009 1I71 PRO 30 T -8.029 7.276 -9.298 -2.228 4 502 404 694 479 Inactive Gatekeeper 8010 1I71 HIS 31 T -9.56 9.401 -12.731 -3.643 5 567 383 668 401 Inactive Inactive 8011 1I71 TRP 32 T -9.85 9.738 -13.483 -4.24 5 680 637 656 334 Permissive Inactive 8012 1I71 HIS 33 C -10.696 10.85 -14.601 -5.037 6 704 693 656 291 Permissive Inactive 8013 1I71 GLN 34 C -9.447 11.251 -12.587 -5.027 7 729 789 653 261 Permissive Inactive 8014 1I71 ARG 35 C -9.237 11.017 -11.959 -4.366 5 696 820 654 213 Permissive Inactive 8015 1I71 THR 36 T -8.963 11.551 -11.122 -3.937 4 675 933 662 166 Permissive Inactive 8016 1I71 THR 37 T -8.806 11.204 -10.992 -3.676 4 693 1148 690 142 Selective Inactive 8017 1I71 GLU 38 T -8.625 10.565 -11.439 -3.755 4 756 1584 720 133 Selective Inactive 8018 1I71 TYR 39 T -8.479 10.151 -11.685 -3.991 5 835 2191 755 143 Selective Inactive 8019 1I71 TYR 40 T -8.16 8.559 -11.228 -3.444 5 979 2764 800 159 Selective Permissive 8020 1I71 PRO 41 T -6.566 6.883 -7.976 -2.538 2 1074 3594 842 183 Selective Permissive 8021 1I71 ASN 42 T -6.462 7.1 -8.131 -2.622 2 1218 3964 878 205 Selective Permissive 8022 1I71 GLY 43 T -6.421 7.279 -8.252 -2.702 2 1354 4230 892 214 Selective Permissive 8023 1I71 GLY 44 T -6.38 7.488 -8.398 -2.843 2 1304 4278 889 223 Selective Permissive 8024 1I71 LEU 45 T -6.393 7.508 -8.348 -2.847 2 1208 4070 876 227 Selective Permissive 8025 1I71 THR 46 T -7.109 9.17 -9.748 -3.714 4 1202 4058 839 224 Selective Permissive 8026 1I71 ARG 47 T -7.51 10.028 -10.484 -4.354 4 1237 4173 813 221 Selective Permissive 8027 1I71 ASN 48 T -7.875 10.315 -10.743 -4.798 4 1246 4367 795 220 Selective Permissive 8028 1I71 TYR 49 T -10.871 12.875 -11.294 -3.172 7 1259 4493 786 226 Selective Inactive 8029 1I71 CYS 50 C -11.784 10.149 -13.957 -3.477 5 1266 4631 747 229 Selective Inactive 8030 1I71 ARG 51 B -14.95 10.344 -18.199 -3.493 8 1207 4332 730 246 Selective Inactive 8031 1I71 ASN 52 T -11.473 9.117 -14.013 -3.341 5 1100 3940 691 237 Selective Inactive 8032 1I71 PRO 53 T -9.396 8.537 -12.517 -3.677 5 960 3498 678 227 Selective Inactive 8033 1I71 ASP 54 T -9.34 8.53 -12.794 -3.791 5 759 2690 676 218 Selective Inactive 8034 1I71 ALA 55 T -9.3 8.725 -12.644 -3.692 5 594 2319 680 215 Gatekeeper Inactive 8035 1I71 GLU 56 C -9.3 8.726 -12.644 -3.692 5 460 2054 715 224 Gatekeeper Inactive 8036 1I71 ILE 57 C -9.316 8.717 -12.609 -3.701 5 401 1978 765 250 Gatekeeper Inactive 8037 1I71 ARG 58 C -10.427 9.808 -13.372 -3.772 5 356 1950 830 303 Gatekeeper Permissive 8038 1I71 PRO 59 C -10.909 11.567 -10.545 -2.295 4 312 1890 920 382 Gatekeeper Permissive 8039 1I71 TRP 60 E -13.628 18.026 -14.581 -4.646 7 333 1825 1016 474 Gatekeeper Selective 8040 1I71 CYS 61 E -13.54 16.71 -15.307 -4.737 8 426 1651 1087 551 Gatekeeper Selective 8041 1I71 TYR 62 E -12.761 13.655 -14.484 -3.866 7 478 1490 1152 583 Gatekeeper Selective 8042 1I71 THR 63 B -9.034 7.683 -12.442 -3.696 5 590 1166 1206 590 Gatekeeper Selective 8043 1I71 MET 64 C -6.978 6.345 -10.804 -4.053 2 706 1047 1254 625 Permissive Selective 8044 1I71 ASP 65 T -6.975 6.345 -10.809 -4.043 2 843 895 1325 675 Permissive Selective 8045 1I71 PRO 66 T -6.965 6.414 -10.775 -4.009 2 1009 971 1385 734 Permissive Selective 8046 1I71 SER 67 T -6.965 6.417 -10.776 -4.009 2 1177 1050 1450 790 Permissive Selective 8047 1I71 VAL 68 T -6.983 6.378 -10.724 -4.019 2 1370 1141 1507 850 Selective Selective 8048 1I71 ARG 69 T -9.224 9.632 -9.56 -2.041 4 1564 1207 1561 926 Selective Selective 8049 1I71 TRP 70 E -9.37 10.535 -8.931 -2.049 4 - - - - - - 8050 1I71 GLU 71 E -11.34 11.964 -12.65 -3.228 7 - - - - - - 8051 1I71 TYR 72 E -11.876 14.228 -14.122 -4.322 7 - - - - - - 8052 1I71 CYS 73 B -9.04 10.214 -13.607 -5.687 6 - - - - - - 8053 1I71 ASN 74 T -7.074 9.136 -10.836 -5.265 3 - - - - - - 8054 1I71 LEU 75 T -6.133 7.685 -9.553 -4.423 2 - - - - - - 8055 1I71 THR 76 E -3.855 3.199 -7.199 -3.298 1 - - - - - - 8056 1I71 GLN 77 E -3.032 2.598 -6.142 -2.757 1 - - - - - - 8057 1I71 CYS 78 C -1.602 0.705 -3.787 -1.598 1 - - - - - - 8058 1I71 PRO 79 C 1.346 0.172 -1.413 -2.351 1 - - - - - - 8059 1I71 VAL 80 C 1.346 0.172 -1.413 -2.351 1 - - - - - - 8060 1I71 MET 81 C 1.346 0.172 -1.413 -2.351 1 - - - - - - 8061 1I71 GLU 82 C 1.346 0.172 -1.413 -2.351 1 - - - - - - 8062 1I76 MET 80 C -6.297 9.186 -10.524 -5.158 3 - - - - - - 8063 1I76 LEU 81 B -6.297 9.186 -10.524 -5.158 3 - - - - - - 8064 1I76 THR 82 T -6.297 9.186 -10.524 -5.158 3 - - - - - - 8065 1I76 PRO 83 T -6.297 9.186 -10.524 -5.158 3 - - - - - - 8066 1I76 GLY 84 T -6.323 9.209 -10.536 -5.233 3 - - - - - - 8067 1I76 ASN 85 T -6.437 9.272 -10.527 -5.383 3 - - - - - - 8068 1I76 PRO 86 C -8.038 10.636 -12.748 -6.017 6 - - - - - - 8069 1I76 LYS 87 C -9.476 13.134 -13.887 -5.941 8 - - - - - - 8070 1I76 TRP 88 T -9.538 12.801 -13.109 -5.13 7 - - - - - - 8071 1I76 GLU 89 T -8.566 10.444 -11.952 -4.73 5 - - - - - - 8072 1I76 ARG 90 T -8.553 10.457 -11.975 -4.727 5 - - - - - - 8073 1I76 THR 91 T -8.55 10.495 -11.975 -4.731 5 - - - - - - 8074 1I76 ASN 92 E -8.568 10.414 -11.935 -4.722 5 577 2066 1335 1232 Gatekeeper Selective 8075 1I76 LEU 93 E -8.604 10.313 -11.849 -4.702 5 529 1674 1326 1245 Gatekeeper Selective 8076 1I76 THR 94 E -10.395 12.954 -13.186 -4.909 7 475 1161 1310 1268 Inactive Selective 8077 1I76 TYR 95 E -11.542 17.31 -12.72 -5.417 7 412 756 1274 1256 Inactive Selective 8078 1I76 ARG 96 E -14.474 16.022 -18.271 -5.76 8 356 262 1232 1228 Inactive Selective 8079 1I76 ILE 97 E -11.685 16.098 -13.932 -5.69 8 324 181 1176 1158 Inactive Inactive 8080 1I76 ARG 98 C -10.533 12.685 -14.196 -5.436 8 318 166 1098 1050 Inactive Inactive 8081 1I76 ASN 99 C -10.179 11.562 -14.635 -5.379 6 309 145 980 888 Inactive Inactive 8082 1I76 TYR 100 C -9.505 12.892 -12.78 -5.159 7 271 145 867 722 Inactive Inactive 8083 1I76 THR 101 T -8.91 10.123 -13.122 -4.842 5 153 132 768 585 Inactive Inactive 8084 1I76 PRO 102 T -8.661 9.234 -13.398 -4.779 5 104 130 702 504 Inactive Inactive 8085 1I76 GLN 103 T -8.668 9.103 -13.429 -4.76 5 88 92 644 413 Inactive Inactive 8086 1I76 LEU 104 T -8.408 8.644 -13.336 -4.687 5 75 74 597 325 Inactive Inactive 8087 1I76 SER 105 T -7.958 8.299 -12.564 -4.518 5 73 63 569 244 Inactive Inactive 8088 1I76 GLU 106 H -8.017 8.337 -12.517 -4.523 5 63 38 534 191 Inactive Inactive 8089 1I76 ALA 107 H -8.09 8.426 -12.334 -4.503 5 56 27 503 165 Inactive Inactive 8090 1I76 GLU 108 H -8.096 8.429 -12.301 -4.5 5 57 7 495 197 Inactive Inactive 8091 1I76 VAL 109 H -8.244 8.577 -12.021 -4.471 5 77 2 484 243 Inactive Inactive 8092 1I76 GLU 110 H -9.925 10.355 -14.247 -5.155 6 94 1 500 336 Inactive Inactive 8093 1I76 ARG 111 H -9.87 10.631 -12.596 -4.058 5 121 2 509 428 Inactive Inactive 8094 1I76 ALA 112 H -9.669 11.055 -12.55 -4.14 5 156 4 542 546 Inactive Inactive 8095 1I76 ILE 113 H -9.651 11.22 -12.54 -4.159 7 210 96 584 684 Inactive Inactive 8096 1I76 LYS 114 H -9.635 11.211 -12.621 -4.195 7 266 168 633 804 Inactive Inactive 8097 1I76 ASP 115 H -9.637 11.239 -12.603 -4.197 7 354 324 668 930 Inactive Inactive 8098 1I76 ALA 116 H -10.215 12.479 -12.946 -4.5 7 559 780 696 1064 Inactive Inactive 8099 1I76 PHE 117 H -11.075 14.115 -13.818 -4.892 7 744 1181 710 1149 Inactive Inactive 8100 1I76 GLU 118 H -11.198 13.074 -14.45 -4.874 7 810 1336 701 1191 Inactive Inactive 8101 1I76 LEU 119 H -11.703 14.335 -14.257 -4.599 7 934 1660 698 1220 Selective Inactive 8102 1I76 TRP 120 H -11.103 13.242 -14.007 -4.73 7 992 1835 716 1227 Selective Gatekeeper 8103 1I76 SER 121 H -9.764 8.117 -14.014 -4.204 5 1085 2013 737 1197 Selective Inactive 8104 1I76 VAL 122 H -8.784 10.803 -11.326 -4.102 4 1196 2233 768 1183 Selective Inactive 8105 1I76 ALA 123 C -8.7 10.854 -11.403 -4.089 4 1312 2406 796 1140 Selective Inactive 8106 1I76 SER 124 C -8.629 11.414 -11.264 -4.135 4 1387 2532 856 1097 Selective Inactive 8107 1I76 PRO 125 C -8.51 12.166 -10.936 -4.169 4 1524 2723 911 1046 Selective Inactive 8108 1I76 LEU 126 C -8.572 12.766 -10.582 -4.18 4 1599 2692 940 983 Selective Inactive 8109 1I76 ILE 127 E -9.048 14.486 -10.509 -4.322 7 1602 2640 995 989 Selective Inactive 8110 1I76 PHE 128 E -9.152 15.431 -10.238 -4.457 7 1533 2498 1045 1024 Selective Inactive 8111 1I76 THR 129 E -8.777 10.658 -12.261 -4.553 5 1331 2043 1105 1112 Selective Inactive 8112 1I76 ARG 130 E -8.215 6.832 -13.712 -4.816 5 1188 1663 1179 1394 Selective Gatekeeper 8113 1I76 ILE 131 C -7.889 5.72 -14.314 -4.941 3 1220 1608 1284 1910 Permissive Selective 8114 1I76 SER 132 C -7.649 5.193 -14.511 -4.959 3 1264 1426 1391 2466 Permissive Selective 8115 1I76 GLN 133 C -7.62 5.111 -14.622 -4.978 3 1430 1392 1490 3042 Permissive Selective 8116 1I76 GLY 134 C -7.639 5.059 -14.685 -5.008 3 1536 1302 1589 3651 Permissive Selective 8117 1I76 GLU 135 C -7.83 4.642 -15.007 -5.057 6 1591 1094 1682 4250 Permissive Selective 8118 1I76 ALA 136 T -8.118 4.858 -14.942 -5.024 6 1633 943 1779 4795 Permissive Selective 8119 1I76 ASP 137 T -8.918 6.695 -15.093 -5.116 6 1746 833 1855 5290 Permissive Selective 8120 1I76 ILE 138 E -9.324 8.384 -14.006 -4.951 6 1914 764 1934 5698 Permissive Selective 8121 1I76 ASN 139 E -11.947 11.44 -16.635 -5.262 8 2202 878 2022 6061 Permissive Selective 8122 1I76 ILE 140 E -12.69 16.55 -15.236 -5.166 8 2648 1471 2064 6209 Permissive Selective 8123 1I76 ALA 141 E -12.906 17.757 -14.748 -5.179 8 2900 1883 2086 6234 Selective Selective 8124 1I76 PHE 142 E -12.813 18.478 -14.378 -5.294 8 3233 2369 2070 6126 Selective Selective 8125 1I76 TYR 143 E -11.113 13.313 -15.347 -5.874 8 3352 2727 2019 5818 Selective Selective 8126 1I76 GLN 144 T -7.317 8.654 -11.446 -5.103 3 3350 3390 1936 5286 Selective Selective 8127 1I76 ARG 145 T -7.262 8.569 -11.657 -5.11 3 3245 4019 1841 4704 Selective Selective 8128 1I76 ASP 146 T -4.649 5.456 -9.721 -5.103 3 3199 5045 1730 4099 Selective Selective 8129 1I76 HIS 147 T -4.389 5.929 -9.569 -5.064 3 3054 6136 1594 3470 Selective Selective 8130 1I76 GLY 148 C -3.632 5.158 -8.42 -4.554 2 2978 7368 1465 2829 Selective Selective 8131 1I76 ASP 149 C -3.633 5.159 -8.416 -4.552 2 2879 8413 1320 2250 Selective Selective 8132 1I76 ASN 150 C -3.633 5.161 -8.416 -4.552 2 2723 9356 1199 1724 Selective Gatekeeper 8133 1I76 SER 151 C -3.749 5.102 -8.132 -4.429 2 2443 10265 1092 1273 Selective Gatekeeper 8134 1I76 PRO 152 C -3.825 4.869 -7.971 -4.35 2 2148 11500 1014 879 Selective Inactive 8135 1I76 PHE 153 C -7.256 10.501 -10.232 -4.472 4 1743 11636 966 663 Selective Inactive 8136 1I76 ASP 154 C -6.668 4.304 -12.888 -4.841 3 1610 12337 922 523 Selective Inactive 8137 1I76 GLY 155 C -5.554 3.626 -11.206 -4.397 3 1452 13075 921 442 Selective Inactive 8138 1I76 PRO 156 C -5.464 4.005 -11.097 -4.353 3 1358 13337 949 411 Selective Inactive 8139 1I76 ASN 157 T -5.368 4.623 -10.839 -4.324 2 1332 13030 976 398 Selective Inactive 8140 1I76 GLY 158 T -5.336 4.915 -10.755 -4.322 2 1316 12639 995 406 Selective Inactive 8141 1I76 ILE 159 T -5.393 5.076 -10.512 -4.264 2 1323 12130 1028 413 Selective Inactive 8142 1I76 LEU 160 T -6.026 7.871 -9.766 -4.158 2 1479 11874 1079 415 Selective Inactive 8143 1I76 ALA 161 E -6.298 8.773 -9.369 -4.196 4 1586 11575 1125 422 Selective Inactive 8144 1I76 HIS 162 E -7.058 10.322 -9.314 -4.297 4 1725 11535 1163 418 Selective Inactive 8145 1I76 ALA 163 E -8.84 12.965 -10.393 -4.131 4 1849 11496 1177 418 Selective Inactive 8146 1I76 PHE 164 E -9.293 12.957 -11.719 -4.51 7 2072 11441 1197 431 Selective Inactive 8147 1I76 GLN 165 C -6.812 6.786 -10.937 -4.418 3 2176 10962 1196 441 Selective Inactive 8148 1I76 PRO 166 C -5.113 6.002 -8.633 -3.927 2 2364 11231 1193 467 Selective Inactive 8149 1I76 GLY 167 C -3.909 3.615 -8.933 -4.268 2 2368 10392 1220 588 Selective Permissive 8150 1I76 GLN 168 T -3.774 3.795 -9 -4.278 2 2256 9212 1228 813 Selective Permissive 8151 1I76 GLY 169 T -3.773 3.797 -9.003 -4.278 2 2287 8597 1250 1151 Selective Permissive 8152 1I76 ILE 170 T -3.777 3.78 -8.992 -4.277 2 2229 8154 1292 1637 Selective Selective 8153 1I76 GLY 171 T -3.838 3.54 -9.044 -4.317 2 2209 7780 1333 2106 Selective Selective 8154 1I76 GLY 172 T -4.716 4.503 -9.258 -4.305 2 2034 7122 1403 2652 Selective Selective 8155 1I76 ASP 173 E -7.947 6.74 -13.231 -4.799 3 1795 6198 1487 3296 Selective Selective 8156 1I76 ALA 174 E -8.951 8.861 -12.684 -4.452 5 1583 5253 1574 3959 Selective Selective 8157 1I76 HIS 175 E -11.078 9.248 -16.117 -5.022 6 1371 4226 1681 4762 Selective Selective 8158 1I76 PHE 176 E -12.596 14.674 -15.858 -5.115 8 1194 3307 1789 5547 Selective Selective 8159 1I76 ASP 177 E -11.801 10.546 -17.175 -5.619 8 926 2330 1878 6098 Gatekeeper Selective 8160 1I76 ALA 178 T -11.746 10.912 -17.136 -5.647 8 705 1403 1969 6616 Inactive Selective 8161 1I76 GLU 179 T -11.758 10.797 -17.229 -5.693 8 417 386 2044 7029 Inactive Selective 8162 1I76 GLU 180 T -11.759 10.76 -17.256 -5.703 8 302 110 2114 7287 Inactive Selective 8163 1I76 THR 181 C -11.131 11.84 -15.749 -5.468 8 298 101 2154 7381 Inactive Selective 8164 1I76 TRP 182 E -10.837 12.785 -14.623 -5.276 8 308 150 2153 7281 Inactive Selective 8165 1I76 THR 183 E -7.882 6.403 -12.571 -4.478 5 514 195 2137 6974 Inactive Selective 8166 1I76 ASN 184 C -6.532 6.055 -11.395 -4.608 3 719 273 2120 6737 Inactive Selective 8167 1I76 THR 185 C -6.522 6.119 -11.41 -4.61 3 878 289 2069 6438 Inactive Selective 8168 1I76 SER 186 C -6.522 6.119 -11.41 -4.61 3 1041 302 1994 6037 Permissive Selective 8169 1I76 ALA 187 T -6.522 6.116 -11.409 -4.61 3 1175 334 1903 5669 Permissive Selective 8170 1I76 ASN 188 T -6.585 6.089 -11.281 -4.625 3 1250 371 1797 5228 Permissive Selective 8171 1I76 TYR 189 E -8.953 10.046 -12.394 -4.744 5 1316 390 1686 4824 Permissive Selective 8172 1I76 ASN 190 E -11.39 12.117 -15.502 -5.325 8 1348 395 1585 4823 Permissive Selective 8173 1I76 LEU 191 H -11.691 19.857 -10.79 -4.415 7 1424 402 1496 4779 Permissive Selective 8174 1I76 PHE 192 H -11.157 18.763 -10.404 -4.111 7 1461 412 1400 4837 Permissive Selective 8175 1I76 LEU 193 H -10.86 16.925 -11.168 -4.048 7 1437 400 1301 4951 Permissive Selective 8176 1I76 VAL 194 H -10.757 16.284 -11.617 -4.09 7 1375 364 1247 5033 Permissive Selective 8177 1I76 ALA 195 H -10.772 16.163 -11.62 -4.068 7 1267 289 1205 5143 Permissive Selective 8178 1I76 ALA 196 H -10.871 15.333 -12.009 -4.056 7 1044 231 1184 5310 Permissive Gatekeeper 8179 1I76 HIS 197 H -11.157 13.778 -12.99 -4.106 7 811 147 1187 5398 Inactive Gatekeeper 8180 1I76 GLU 198 H -11.779 13.172 -14.211 -4.399 7 642 131 1200 5435 Inactive Gatekeeper 8181 1I76 PHE 199 H -12.965 15.531 -16.109 -5.158 8 482 176 1215 5450 Inactive Selective 8182 1I76 GLY 200 H -12.432 12.59 -16.766 -5.196 8 386 439 1246 5316 Inactive Selective 8183 1I76 HIS 201 H -12.504 12.287 -16.907 -5.186 8 341 732 1284 5041 Inactive Selective 8184 1I76 SER 202 H -12.225 12.754 -16.276 -4.979 8 296 1105 1333 4703 Inactive Selective 8185 1I76 LEU 203 H -11.285 13.929 -13.666 -4.604 7 266 1408 1379 4154 Inactive Selective 8186 1I76 GLY 204 C -11.083 13.234 -14.106 -4.655 7 265 1774 1416 3665 Gatekeeper Selective 8187 1I76 LEU 205 B -10.595 12.056 -13.715 -4.382 7 253 2179 1444 3133 Gatekeeper Selective 8188 1I76 ALA 206 C -8.97 9.253 -12.462 -4.322 5 264 2509 1435 2609 Gatekeeper Selective 8189 1I76 HIS 207 C -8.318 8.302 -12.381 -4.266 5 265 2864 1432 2211 Gatekeeper Selective 8190 1I76 SER 208 C -6.762 5.324 -11.718 -4.338 3 274 3345 1440 1871 Gatekeeper Selective 8191 1I76 SER 209 C -5.206 5.91 -8.933 -3.995 2 293 4001 1422 1546 Gatekeeper Selective 8192 1I76 ASP 210 T -5.183 6.027 -8.972 -4.007 2 312 4629 1400 1240 Gatekeeper Selective 8193 1I76 PRO 211 T -5.184 6.026 -8.969 -4.007 2 348 5117 1364 970 Gatekeeper Permissive 8194 1I76 GLY 212 T -5.186 6.02 -8.958 -4.006 2 346 5087 1323 735 Gatekeeper Permissive 8195 1I76 ALA 213 T -5.225 6.084 -8.77 -3.982 2 304 4796 1267 595 Gatekeeper Permissive 8196 1I76 LEU 214 T -7.095 8.987 -10 -4.303 4 285 4486 1201 541 Gatekeeper Permissive 8197 1I76 MET 215 T -9.427 12.094 -12.394 -4.746 7 265 4102 1133 534 Gatekeeper Inactive 8198 1I76 TYR 216 T -7.988 12.887 -9.414 -4.543 4 253 3800 1061 550 Gatekeeper Inactive 8199 1I76 PRO 217 C -7.64 13.689 -9.228 -4.683 4 197 3441 982 565 Gatekeeper Inactive 8200 1I76 ASN 218 C -7.611 13.715 -9.301 -4.687 4 191 3062 930 608 Gatekeeper Inactive 8201 1I76 TYR 219 C -7.605 13.72 -9.321 -4.687 4 205 2759 899 643 Gatekeeper Inactive 8202 1I76 ALA 220 C -7.468 13.415 -9.472 -4.641 4 216 2415 860 650 Gatekeeper Inactive 8203 1I76 PHE 221 C -7.657 13.352 -9.8 -4.667 4 225 1973 814 654 Gatekeeper Inactive 8204 1I76 ARG 222 C -6.47 7.368 -10.077 -4.175 2 211 1320 785 660 Inactive Inactive 8205 1I76 GLU 223 C -5.913 8.793 -9.379 -4.509 4 199 695 740 670 Inactive Inactive 8206 1I76 THR 224 T -5.806 8.959 -9.376 -4.497 4 178 224 703 680 Inactive Inactive 8207 1I76 SER 225 T -5.79 9.032 -9.36 -4.489 4 185 227 699 689 Inactive Inactive 8208 1I76 ASN 226 T -5.793 9.025 -9.351 -4.489 4 188 239 739 714 Inactive Inactive 8209 1I76 TYR 227 T -6.001 9.884 -9.059 -4.632 4 179 246 785 749 Inactive Inactive 8210 1I76 SER 228 C -6.735 10.271 -9.361 -4.408 4 171 264 826 765 Inactive Inactive 8211 1I76 LEU 229 C -7.668 11.999 -9.333 -4.305 4 182 354 860 786 Inactive Inactive 8212 1I76 PRO 230 C -9.157 13.063 -11.042 -4.337 7 - - - - - - 8213 1I76 GLN 231 H -9.87 10.75 -13.847 -4.501 5 - - - - - - 8214 1I76 ASP 232 H -10.026 9.407 -14.712 -4.585 6 - - - - - - 8215 1I76 ASP 233 H -10.106 9.785 -15.011 -4.873 6 - - - - - - 8216 1I76 ILE 234 H -9.904 9.964 -14.726 -4.799 6 - - - - - - 8217 1I76 ASP 235 H -9.946 10.057 -14.654 -4.831 6 - - - - - - 8218 1I76 GLY 236 H -10.179 11.199 -14.164 -4.841 6 - - - - - - 8219 1I76 ILE 237 H -10.165 11.737 -13.963 -4.892 7 - - - - - - 8220 1I76 GLN 238 H -10.191 12.637 -13.596 -4.945 7 - - - - - - 8221 1I76 ALA 239 H -9.247 12.918 -10.718 -4.135 4 - - - - - - 8222 1I76 ILE 240 H -9.247 12.918 -10.718 -4.135 4 - - - - - - 8223 1I76 TYR 241 H -9.247 12.918 -10.718 -4.135 4 - - - - - - 8224 1I76 GLY 242 C -9.247 12.918 -10.718 -4.135 4 - - - - - - 8225 1IAM GLN 1 C -7.934 9.069 -10.936 -4.188 5 - - - - - - 8226 1IAM THR 2 E -7.934 9.069 -10.936 -4.188 5 - - - - - - 8227 1IAM SER 3 E -7.934 9.069 -10.936 -4.188 5 - - - - - - 8228 1IAM VAL 4 E -7.934 9.069 -10.936 -4.188 5 - - - - - - 8229 1IAM SER 5 E -9.295 8.981 -12.88 -3.978 5 - - - - - - 8230 1IAM PRO 6 T -8.235 11.616 -9.759 -3.882 4 - - - - - - 8231 1IAM SER 7 T -8.094 12.261 -9.613 -3.92 4 - - - - - - 8232 1IAM LYS 8 E -7.804 13.376 -8.985 -3.966 4 - - - - - - 8233 1IAM VAL 9 E -7.797 13.406 -8.999 -3.968 4 - - - - - - 8234 1IAM ILE 10 E -7.806 13.717 -8.886 -4.015 4 - - - - - - 8235 1IAM LEU 11 E -8.074 14.427 -8.973 -4.148 4 - - - - - - 8236 1IAM PRO 12 E -7.879 11.544 -10.697 -4.498 4 - - - - - - 8237 1IAM ARG 13 T -8.158 8.829 -12.89 -4.871 5 1481 5404 592 485 Selective Inactive 8238 1IAM GLY 14 T -6.597 8.694 -9.76 -4.353 4 1675 5382 665 554 Selective Inactive 8239 1IAM GLY 15 E -6.504 9.074 -9.621 -4.288 4 1751 5085 738 603 Selective Inactive 8240 1IAM SER 16 E -6.491 9.211 -9.578 -4.279 4 1645 4540 807 660 Selective Inactive 8241 1IAM VAL 17 E -6.513 9.295 -9.437 -4.25 4 1589 3954 854 712 Selective Inactive 8242 1IAM LEU 18 E -6.516 9.294 -9.413 -4.246 4 1484 3332 909 734 Selective Inactive 8243 1IAM VAL 19 E -7.501 11.859 -8.972 -3.963 4 1386 2751 949 737 Permissive Inactive 8244 1IAM THR 20 E -8.449 13.636 -9.54 -4.142 4 1314 2512 999 741 Permissive Inactive 8245 1IAM CYS 21 E -9.365 12.438 -12.029 -4.48 7 1243 2298 1049 733 Permissive Inactive 8246 1IAM SER 22 E -9.126 7.149 -15.207 -5.165 6 1114 1931 1066 717 Permissive Inactive 8247 1IAM THR 23 E -7.133 5.063 -12.847 -4.823 3 1024 1721 1085 697 Inactive Inactive 8248 1IAM SER 24 C -6.284 5.476 -11.313 -4.381 3 988 1840 1101 670 Inactive Inactive 8249 1IAM CYS 25 T -5.837 5.619 -10.951 -4.39 3 889 1903 1107 624 Inactive Inactive 8250 1IAM ASP 26 T -5.555 6.113 -10.382 -4.261 2 891 2536 1095 585 Inactive Inactive 8251 1IAM GLN 27 T -5.545 6.208 -10.36 -4.259 2 724 3030 1079 533 Inactive Inactive 8252 1IAM PRO 28 T -5.566 6.447 -10.173 -4.226 2 689 3717 1044 493 Gatekeeper Inactive 8253 1IAM LYS 29 T -5.715 6.723 -9.983 -4.224 2 690 3962 999 443 Gatekeeper Inactive 8254 1IAM LEU 30 E -6.049 7.467 -9.494 -4.093 2 639 4218 960 394 Gatekeeper Inactive 8255 1IAM LEU 31 E -7.257 11.314 -9.821 -4.409 4 662 4502 932 360 Gatekeeper Inactive 8256 1IAM GLY 32 E -6.601 9.73 -9.989 -4.763 4 789 4830 891 329 Gatekeeper Inactive 8257 1IAM ILE 33 E -6.008 11.749 -8.179 -4.759 4 868 5213 835 292 Gatekeeper Inactive 8258 1IAM GLU 34 E -5.47 10.176 -8.271 -4.572 4 923 5631 794 266 Gatekeeper Inactive 8259 1IAM THR 35 C -5.161 9.999 -8.153 -4.543 2 1097 6375 791 234 Selective Inactive 8260 1IAM PRO 36 C -5.16 9.992 -8.161 -4.543 2 1268 7205 766 215 Selective Inactive 8261 1IAM LEU 37 C -5.202 10.045 -8.025 -4.521 4 1262 7292 757 200 Selective Inactive 8262 1IAM PRO 38 C -5.319 9.454 -8.17 -4.476 2 1296 7442 746 206 Selective Inactive 8263 1IAM LYS 39 E -5.681 9.72 -8.074 -4.508 4 1246 6915 756 245 Selective Inactive 8264 1IAM LYS 40 E -7.026 8.885 -10.769 -4.602 5 1242 6517 774 307 Selective Inactive 8265 1IAM GLU 41 E -5.523 9.363 -7.804 -4.196 2 1189 6025 826 458 Selective Inactive 8266 1IAM LEU 42 E -4.884 7.954 -7.839 -4.025 2 1222 6094 891 729 Selective Inactive 8267 1IAM LEU 43 E -4.077 6.302 -7.723 -4.054 2 1224 5978 976 1030 Selective Inactive 8268 1IAM LEU 44 T -4.07 6.301 -7.76 -4.06 2 1244 5854 1059 1316 Selective Gatekeeper 8269 1IAM PRO 45 T -4.065 6.3 -7.788 -4.067 2 1170 5666 1155 1583 Selective Selective 8270 1IAM GLY 46 T -4.114 6.034 -7.806 -4.059 2 1108 5143 1264 1845 Selective Selective 8271 1IAM ASN 47 T -4.231 5.77 -7.792 -4.084 2 1015 4460 1350 2083 Gatekeeper Selective 8272 1IAM ASN 48 T -6.23 6.902 -10.963 -4.696 3 857 3651 1421 2290 Gatekeeper Selective 8273 1IAM ARG 49 E -6.588 7.297 -10.788 -4.768 3 704 2768 1499 2447 Inactive Selective 8274 1IAM LYS 50 E -10.153 11.913 -16.499 -6.954 8 711 2391 1551 2552 Inactive Selective 8275 1IAM VAL 51 E -11.538 14.043 -17.525 -7.386 8 668 2029 1579 2563 Inactive Selective 8276 1IAM TYR 52 E -14.062 18.043 -18.544 -6.727 8 657 1842 1581 2550 Inactive Selective 8277 1IAM GLU 53 E -12.154 13.742 -15.374 -5.312 8 615 1593 1571 2516 Inactive Selective 8278 1IAM LEU 54 E -11.449 13.082 -14.851 -5.037 8 612 1354 1539 2397 Inactive Selective 8279 1IAM SER 55 E -9.478 9.165 -13.69 -4.796 6 566 1039 1498 2135 Inactive Selective 8280 1IAM ASN 56 E -8.299 8.943 -12.552 -4.862 5 553 873 1446 1838 Inactive Selective 8281 1IAM VAL 57 E -8.24 8.952 -12.681 -4.863 5 549 913 1404 1577 Inactive Selective 8282 1IAM GLN 58 C -8.158 8.868 -12.946 -4.945 5 537 1084 1368 1367 Inactive Selective 8283 1IAM GLU 59 C -7.734 9.127 -12.292 -4.858 5 559 1398 1339 1196 Inactive Selective 8284 1IAM ASP 60 C -7.763 9.143 -12.228 -4.864 5 657 1931 1331 1096 Inactive Permissive 8285 1IAM SER 61 B -8.016 9.277 -12.159 -4.862 5 713 2465 1344 1080 Inactive Permissive 8286 1IAM GLN 62 C -8.056 9.294 -12.038 -4.861 5 764 3078 1356 1166 Inactive Selective 8287 1IAM PRO 63 C -8.126 9.411 -11.705 -4.783 5 810 3594 1391 1356 Gatekeeper Selective 8288 1IAM MET 64 E -10.951 12.58 -15.327 -5.666 8 1103 4066 1451 1644 Selective Selective 8289 1IAM CYS 65 E -11.596 12.838 -15.915 -5.809 8 1285 4498 1471 1766 Selective Selective 8290 1IAM TYR 66 E -12.738 14.797 -19.057 -7.24 8 1401 4728 1494 1846 Selective Selective 8291 1IAM SER 67 E -10.125 7.737 -16.708 -5.899 6 1444 5037 1512 1878 Selective Selective 8292 1IAM ASN 68 E -6.574 5.784 -12.496 -5.488 3 1572 5288 1550 1954 Selective Selective 8293 1IAM CYS 69 E -4.34 4.835 -9.684 -5.097 3 1611 5327 1588 2052 Selective Selective 8294 1IAM PRO 70 T -4.278 4.836 -9.819 -5.079 3 1728 5346 1606 2148 Selective Selective 8295 1IAM ASP 71 T -4.246 4.895 -9.903 -5.091 3 1881 5047 1626 2228 Selective Selective 8296 1IAM GLY 72 E -4.244 4.9 -9.912 -5.09 3 2165 4903 1632 2349 Selective Selective 8297 1IAM GLN 73 E -4.255 4.892 -9.864 -5.083 3 2268 4391 1608 2430 Selective Selective 8298 1IAM SER 74 E -5.365 5.339 -11.21 -5.05 3 2328 4033 1555 2444 Selective Selective 8299 1IAM THR 75 E -5.928 6.205 -11.484 -5.278 3 2343 3521 1496 2412 Selective Selective 8300 1IAM ALA 76 E -7.291 8.636 -12.282 -5.118 5 2306 3067 1411 2289 Permissive Selective 8301 1IAM LYS 77 E -7.716 10.788 -11.773 -5.29 5 2053 2595 1306 2216 Permissive Selective 8302 1IAM THR 78 C -8.358 12.4 -11.694 -5.266 7 1900 2199 1231 2336 Permissive Selective 8303 1IAM PHE 79 E -8.626 12.966 -11.321 -5.248 7 1861 2019 1161 2471 Permissive Selective 8304 1IAM LEU 80 E -10.084 15.726 -12.147 -5.158 7 1793 1659 1102 2646 Permissive Gatekeeper 8305 1IAM THR 81 E -10.358 16.236 -12.041 -5.248 7 1647 1434 1029 2761 Permissive Gatekeeper 8306 1IAM VAL 82 E -11.139 17.066 -11.845 -4.787 7 1591 1488 947 2844 Permissive Gatekeeper 8307 1IAM TYR 83 E -12.11 19.534 -12.871 -5.178 7 1469 2088 869 2888 Permissive Gatekeeper 8308 1IAM TRP 84 B -12.224 17.933 -14.095 -5.369 8 1248 2621 796 2896 Permissive Gatekeeper 8309 1IAM THR 85 C -9.907 12.073 -12.708 -4.834 7 894 2914 721 2788 Inactive Gatekeeper 8310 1IAM PRO 86 T -9.871 11.942 -12.893 -4.836 7 660 3263 672 2660 Gatekeeper Gatekeeper 8311 1IAM GLU 87 T -9.865 11.914 -12.944 -4.842 7 516 3469 638 2534 Gatekeeper Gatekeeper 8312 1IAM ARG 88 E -9.868 11.858 -12.956 -4.836 7 434 3984 628 2371 Gatekeeper Gatekeeper 8313 1IAM VAL 89 E -9.135 12.192 -11.816 -4.618 7 417 4965 641 2226 Gatekeeper Gatekeeper 8314 1IAM GLU 90 E -8.1 11.607 -10.307 -4.42 4 385 5816 672 2004 Gatekeeper Gatekeeper 8315 1IAM LEU 91 E -6.625 10.826 -7.865 -3.732 4 377 6777 718 1749 Gatekeeper Gatekeeper 8316 1IAM ALA 92 C -6.466 10.213 -8.313 -3.709 4 336 7551 759 1511 Gatekeeper Gatekeeper 8317 1IAM PRO 93 C -6.372 9.837 -8.614 -3.704 4 336 8099 809 1287 Gatekeeper Gatekeeper 8318 1IAM LEU 94 C -6.375 9.821 -8.601 -3.7 4 323 8055 879 1117 Gatekeeper Gatekeeper 8319 1IAM PRO 95 C -6.401 9.73 -8.549 -3.668 4 296 7928 965 972 Gatekeeper Inactive 8320 1IAM SER 96 C -6.985 8.007 -10.09 -3.666 4 230 7075 1054 876 Gatekeeper Inactive 8321 1IAM TRP 97 E -7.199 8.3 -10.699 -4.029 4 252 6555 1117 837 Gatekeeper Inactive 8322 1IAM GLN 98 E -6.764 7.32 -10.833 -4.317 3 281 6113 1177 821 Gatekeeper Permissive 8323 1IAM PRO 99 T -4.945 6.077 -8.573 -4.076 2 333 5816 1237 809 Gatekeeper Permissive 8324 1IAM VAL 100 T -4.903 6.277 -8.622 -4.1 2 368 5440 1289 802 Gatekeeper Permissive 8325 1IAM GLY 101 T -4.859 6.516 -8.679 -4.153 2 495 4866 1322 801 Gatekeeper Permissive 8326 1IAM LYS 102 E -4.862 6.504 -8.664 -4.15 2 552 3868 1335 802 Gatekeeper Permissive 8327 1IAM GLN 103 E -4.882 6.493 -8.594 -4.147 2 754 3461 1327 796 Gatekeeper Permissive 8328 1IAM LEU 104 E -6.033 9.341 -9.373 -4.637 4 844 2786 1311 792 Inactive Permissive 8329 1IAM THR 105 E -6.405 9.668 -9.434 -4.83 4 943 2331 1296 782 Inactive Permissive 8330 1IAM LEU 106 E -8.841 14.148 -10.466 -4.81 7 1094 2218 1282 773 Permissive Permissive 8331 1IAM ARG 107 E -10.097 16.236 -11.643 -5.163 7 1239 2627 1255 749 Permissive Permissive 8332 1IAM CYS 108 E -10.77 15.727 -12.268 -5.085 7 1293 2942 1207 718 Permissive Permissive 8333 1IAM GLN 109 E -11.404 9.785 -17.185 -5.701 8 1343 3244 1148 661 Permissive Inactive 8334 1IAM VAL 110 E -9.001 9.356 -12.911 -4.805 5 1486 3664 1107 557 Selective Inactive 8335 1IAM GLU 111 E -8.805 9.398 -13.102 -4.83 5 1726 4202 1063 484 Selective Inactive 8336 1IAM GLY 112 C -8.792 9.4 -13.144 -4.822 5 2140 4817 1015 432 Selective Inactive 8337 1IAM GLY 113 T -8.723 9.246 -13.237 -4.745 5 2341 5102 994 411 Selective Inactive 8338 1IAM ALA 114 B -8.726 9.239 -13.213 -4.735 5 2311 5155 1000 446 Selective Inactive 8339 1IAM PRO 115 T -9.286 9.096 -13.839 -4.645 5 2283 5148 1047 529 Selective Inactive 8340 1IAM ARG 116 G -9.88 8.396 -14.286 -4.218 6 2154 4668 1119 664 Selective Inactive 8341 1IAM ALA 117 G -9.688 10.013 -13.393 -4.277 5 2150 4339 1187 806 Selective Permissive 8342 1IAM GLN 118 G -10.181 12.651 -12.599 -4.464 7 2075 3935 1258 996 Selective Permissive 8343 1IAM LEU 119 E -10.183 13.073 -12.358 -4.453 7 2019 3491 1331 1143 Selective Selective 8344 1IAM THR 120 E -10.207 13.353 -12.145 -4.436 7 1955 2995 1378 1222 Permissive Selective 8345 1IAM VAL 121 E -10.209 13.399 -12.109 -4.432 7 1993 2596 1416 1279 Permissive Selective 8346 1IAM VAL 122 E -11.525 17.083 -12.461 -4.369 7 1951 2264 1439 1311 Permissive Selective 8347 1IAM LEU 123 E -11.004 14.318 -13.751 -4.87 7 1792 1743 1439 1335 Permissive Selective 8348 1IAM LEU 124 E -8.368 8.289 -12.765 -4.901 5 1521 1180 1426 1328 Permissive Selective 8349 1IAM ARG 125 E -5.865 6.53 -10.545 -4.957 3 1072 604 1415 1317 Permissive Selective 8350 1IAM GLY 126 T -5.626 6.525 -10.743 -4.986 3 875 401 1389 1283 Inactive Selective 8351 1IAM GLU 127 T -5.623 6.533 -10.757 -4.988 3 824 555 1344 1211 Inactive Selective 8352 1IAM LYS 128 E -5.623 6.533 -10.757 -4.988 3 818 993 1260 1102 Inactive Permissive 8353 1IAM GLU 129 E -5.628 6.523 -10.741 -4.989 3 757 1435 1153 950 Inactive Inactive 8354 1IAM LEU 130 E -6.265 6.569 -11.19 -5.05 3 708 1963 1053 788 Inactive Inactive 8355 1IAM LYS 131 E -8.536 9.295 -13.697 -5.272 6 719 2499 963 588 Inactive Inactive 8356 1IAM ARG 132 E -8.024 8.133 -11.971 -4.245 5 695 3061 881 426 Inactive Inactive 8357 1IAM GLU 133 E -6.084 4.734 -10.625 -4.001 2 818 3731 830 335 Gatekeeper Inactive 8358 1IAM PRO 134 E -5.007 4.486 -9.543 -3.966 2 1130 4559 792 259 Selective Inactive 8359 1IAM ALA 135 C -4.819 4.705 -9.587 -4.008 2 1339 4930 777 214 Selective Inactive 8360 1IAM VAL 136 C -4.772 4.714 -9.682 -4.015 2 1621 5284 784 203 Selective Inactive 8361 1IAM GLY 137 T -4.773 4.706 -9.682 -4.016 2 1853 5525 815 214 Selective Inactive 8362 1IAM GLU 138 T -4.839 4.719 -9.577 -4.018 2 1986 5522 828 222 Selective Inactive 8363 1IAM PRO 139 T -5.429 5.197 -9.988 -4.117 2 2161 5560 839 227 Selective Inactive 8364 1IAM ALA 140 E -6.274 4.892 -10.887 -4.115 2 2238 5312 851 231 Selective Inactive 8365 1IAM GLU 141 E -8.071 10.088 -12.394 -5.067 5 2321 4836 858 238 Selective Inactive 8366 1IAM VAL 142 E -7.327 13.281 -8.853 -4.647 4 2429 4393 891 261 Selective Inactive 8367 1IAM THR 143 E -6.58 12.204 -8.696 -4.728 4 2451 3858 930 273 Selective Inactive 8368 1IAM THR 144 E -6.546 12.234 -8.737 -4.712 4 2453 3321 955 272 Selective Inactive 8369 1IAM THR 145 E -6.543 12.231 -8.748 -4.707 4 2400 2755 973 281 Permissive Inactive 8370 1IAM VAL 146 E -6.564 12.216 -8.66 -4.676 4 2223 2090 990 303 Permissive Inactive 8371 1IAM LEU 147 E -6.61 11.289 -8.914 -4.486 4 1840 1272 1014 338 Permissive Inactive 8372 1IAM VAL 148 E -7.072 9.848 -9.467 -3.642 4 1650 900 1037 432 Permissive Inactive 8373 1IAM ARG 149 T -6.588 8.518 -9.428 -3.646 4 1380 540 1078 592 Permissive Inactive 8374 1IAM ARG 150 T -6.353 7.992 -10.01 -3.948 2 1156 284 1131 834 Permissive Inactive 8375 1IAM ASP 151 T -6.333 7.946 -10.127 -3.985 2 1005 172 1161 1122 Inactive Selective 8376 1IAM HIS 152 T -6.39 7.905 -10.215 -4.075 2 794 46 1199 1468 Inactive Selective 8377 1IAM HIS 153 T -6.48 7.59 -10.413 -4.155 2 666 46 1244 1792 Inactive Selective 8378 1IAM GLY 154 T -6.915 7.136 -11.485 -4.613 3 540 49 1316 2181 Inactive Selective 8379 1IAM ALA 155 T -8.07 8.08 -13.166 -4.944 5 402 52 1391 2565 Inactive Selective 8380 1IAM GLN 156 E -8.73 10.238 -12.815 -4.978 5 314 56 1474 3067 Inactive Selective 8381 1IAM PHE 157 E -9.296 11.917 -12.022 -4.836 7 245 81 1564 3703 Inactive Selective 8382 1IAM SER 158 E -11.364 14.076 -14.003 -5.201 8 211 84 1649 4299 Inactive Selective 8383 1IAM CYS 159 E -13.492 14.664 -17.677 -5.601 8 182 80 1730 4763 Inactive Selective 8384 1IAM ARG 160 E -13.855 14.484 -18.839 -5.955 8 157 67 1800 5105 Inactive Selective 8385 1IAM THR 161 E -12.672 15.723 -15.76 -5.676 8 122 67 1859 5271 Inactive Selective 8386 1IAM GLU 162 E -12.258 15.798 -15.16 -5.412 8 98 68 1915 5306 Inactive Selective 8387 1IAM LEU 163 E -10.249 13.175 -12.185 -4.444 7 86 76 1937 5172 Inactive Selective 8388 1IAM ASP 164 E -9.838 12.124 -13.079 -4.77 7 84 79 1978 4957 Inactive Selective 8389 1IAM LEU 165 E -8.342 9.569 -12.276 -4.905 5 88 81 1990 4666 Inactive Selective 8390 1IAM ARG 166 G -7.008 7.959 -11.341 -4.842 3 99 84 2003 4414 Inactive Selective 8391 1IAM PRO 167 G -6.168 8.118 -10.569 -4.987 3 183 251 1997 4075 Inactive Selective 8392 1IAM GLN 168 G -6.089 8.463 -10.591 -5.051 3 183 279 1970 3724 Inactive Selective 8393 1IAM GLY 169 C -5.894 9.565 -9.932 -4.99 3 181 296 1922 3275 Inactive Selective 8394 1IAM LEU 170 C -5.897 9.616 -9.902 -4.994 3 177 329 1861 2686 Inactive Selective 8395 1IAM GLU 171 E -5.982 9.921 -9.704 -5.022 3 183 365 1776 2115 Inactive Selective 8396 1IAM LEU 172 E -6.455 12.099 -8.963 -5.014 4 190 390 1672 1659 Inactive Selective 8397 1IAM PHE 173 E -6.612 12.464 -8.427 -4.871 4 - - - - - - 8398 1IAM GLU 174 E -8.251 13.25 -11.635 -5.491 7 - - - - - - 8399 1IAM ASN 175 E -8.108 9.261 -13.18 -5.29 6 - - - - - - 8400 1IAM THR 176 E -8.205 8.693 -13.329 -5.207 6 - - - - - - 8401 1IAM SER 177 C -8.273 8.023 -13.442 -5.102 6 - - - - - - 8402 1IAM ALA 178 C -8.285 7.934 -13.412 -5.081 5 - - - - - - 8403 1IAM PRO 179 C -8.343 7.85 -13.216 -5.008 5 - - - - - - 8404 1IAM TYR 180 E -10.132 11.422 -13.948 -5.071 6 - - - - - - 8405 1IAM GLN 181 E -9.518 12.685 -12.513 -5.239 7 - - - - - - 8406 1IAM LEU 182 C -7.589 10.937 -9.388 -4.092 4 - - - - - - 8407 1IAM GLN 183 E -7.589 10.937 -9.388 -4.092 4 - - - - - - 8408 1IAM THR 184 E -7.589 10.937 -9.388 -4.092 4 - - - - - - 8409 1IAM PHE 185 C -7.589 10.937 -9.388 -4.092 4 - - - - - - 8410 1IAP SER 44 T -10.678 11.159 -14.436 -5.081 6 - - - - - - 8411 1IAP GLN 45 T -10.678 11.159 -14.436 -5.081 6 - - - - - - 8412 1IAP PHE 46 T -10.678 11.159 -14.436 -5.081 6 - - - - - - 8413 1IAP GLN 47 T -10.678 11.159 -14.436 -5.081 6 - - - - - - 8414 1IAP SER 48 C -11.379 10.881 -15.675 -5.189 6 - - - - - - 8415 1IAP LEU 49 H -11.365 10.937 -15.719 -5.213 6 - - - - - - 8416 1IAP GLU 50 H -11.341 10.905 -15.844 -5.228 6 - - - - - - 8417 1IAP GLN 51 H -11.341 10.905 -15.846 -5.229 6 - - - - - - 8418 1IAP VAL 52 H -11.339 10.915 -15.853 -5.229 6 - - - - - - 8419 1IAP LYS 53 H -12.789 11.618 -18.623 -5.875 8 - - - - - - 8420 1IAP ARG 54 C -13.116 11.042 -18.798 -5.54 8 - - - - - - 8421 1IAP ARG 55 C -13.904 14.603 -18.017 -5.263 8 - - - - - - 8422 1IAP PRO 56 H -12.499 17.876 -13.396 -4.972 7 308 254 1145 5209 Gatekeeper Gatekeeper 8423 1IAP ALA 57 H -12.166 17.637 -13.445 -4.982 7 344 248 1045 5197 Gatekeeper Gatekeeper 8424 1IAP HIS 58 H -12.091 17.882 -13.427 -5.003 7 440 216 962 5143 Gatekeeper Gatekeeper 8425 1IAP LEU 59 H -11.652 19.096 -12.059 -4.838 7 495 213 886 5094 Gatekeeper Gatekeeper 8426 1IAP MET 60 H -11.65 19.103 -12.065 -4.84 7 521 223 804 5010 Gatekeeper Gatekeeper 8427 1IAP ALA 61 H -11.792 19.352 -11.843 -4.813 7 578 338 738 4935 Gatekeeper Gatekeeper 8428 1IAP LEU 62 H -11.946 20.005 -11.321 -4.76 7 714 854 667 4865 Gatekeeper Gatekeeper 8429 1IAP LEU 63 H -12 20.044 -11.134 -4.72 7 787 1311 605 4751 Selective Gatekeeper 8430 1IAP GLN 64 H -13.737 17.802 -16.241 -5.22 8 808 1768 574 4626 Selective Gatekeeper 8431 1IAP HIS 65 H -12.093 13.061 -14.8 -4.59 7 822 2170 542 4319 Selective Gatekeeper 8432 1IAP VAL 66 H -11.097 13.406 -13.488 -4.56 7 817 2703 512 4069 Selective Gatekeeper 8433 1IAP ALA 67 H -10.206 12.363 -13.367 -4.856 7 801 3108 507 3955 Selective Gatekeeper 8434 1IAP LEU 68 H -9.658 12.703 -12.718 -4.874 7 813 3493 534 3923 Selective Gatekeeper 8435 1IAP GLN 69 H -8.889 12.779 -11.787 -5.003 7 759 3749 574 3943 Selective Gatekeeper 8436 1IAP PHE 70 C -8.604 13.031 -11.27 -4.792 7 734 4063 625 3916 Selective Gatekeeper 8437 1IAP GLU 71 C -8.432 13.399 -10.84 -4.645 7 705 4428 673 3890 Gatekeeper Gatekeeper 8438 1IAP PRO 72 H -8.405 13.808 -10.558 -4.583 7 772 4863 726 3801 Selective Gatekeeper 8439 1IAP GLY 73 H -8.444 13.897 -10.436 -4.56 7 768 4918 803 3728 Selective Gatekeeper 8440 1IAP PRO 74 H -8.692 14.468 -9.919 -4.304 4 723 4834 887 3685 Gatekeeper Gatekeeper 8441 1IAP LEU 75 H -9.039 15.31 -9.496 -4.188 4 593 4322 977 3662 Gatekeeper Gatekeeper 8442 1IAP LEU 76 H -9.807 17.591 -8.998 -4.103 4 517 3878 1077 3669 Gatekeeper Gatekeeper 8443 1IAP CYS 77 H -11.019 16.266 -12.391 -4.717 7 516 3690 1166 3720 Gatekeeper Gatekeeper 8444 1IAP CYS 78 H -11.714 16.71 -13.98 -5.078 8 498 3405 1256 3752 Gatekeeper Selective 8445 1IAP LEU 79 H -11.825 16.673 -14.18 -5.166 8 484 2930 1327 3644 Gatekeeper Selective 8446 1IAP HIS 80 H -12.091 15.953 -15.111 -5.27 8 477 2666 1374 3405 Gatekeeper Selective 8447 1IAP ALA 81 H -10.759 12.861 -13.885 -5.065 7 461 2462 1384 3090 Gatekeeper Selective 8448 1IAP ASP 82 H -10.541 12.28 -14.37 -5.159 6 455 2344 1386 2798 Gatekeeper Selective 8449 1IAP MET 83 H -9.075 11.768 -12.015 -4.864 7 459 2290 1415 2527 Gatekeeper Selective 8450 1IAP LEU 84 H -7.629 9.357 -11.06 -4.603 5 438 2274 1433 2271 Gatekeeper Selective 8451 1IAP GLY 85 H -6.894 6.771 -11.686 -4.544 3 463 2285 1463 2109 Gatekeeper Selective 8452 1IAP SER 86 C -6.722 6.902 -11.691 -4.548 3 486 2323 1494 1957 Gatekeeper Permissive 8453 1IAP LEU 87 C -5.639 7.393 -9.582 -4.469 2 573 2627 1517 1868 Gatekeeper Permissive 8454 1IAP GLY 88 C -5.452 7.356 -9.67 -4.469 2 910 3301 1517 1829 Selective Permissive 8455 1IAP PRO 89 H -5.466 7.314 -9.639 -4.466 2 1179 3562 1517 1907 Selective Permissive 8456 1IAP LYS 90 H -5.505 7.423 -9.484 -4.462 2 1336 3291 1506 2015 Selective Permissive 8457 1IAP GLU 91 H -5.525 7.427 -9.409 -4.459 2 1541 3319 1486 2233 Selective Selective 8458 1IAP ALA 92 H -6.222 7.291 -9.923 -4.471 3 1811 3425 1469 2522 Selective Selective 8459 1IAP LYS 93 H -10.226 9.011 -15.481 -4.936 6 2023 3454 1456 2821 Selective Selective 8460 1IAP LYS 94 H -10.186 11.051 -14.159 -4.793 7 2242 3414 1454 3133 Selective Selective 8461 1IAP ALA 95 H -10.571 13.726 -12.718 -4.677 7 2512 3359 1466 3387 Selective Selective 8462 1IAP PHE 96 H -10.607 13.946 -12.439 -4.646 7 2791 3352 1464 3612 Selective Selective 8463 1IAP LEU 97 H -10.603 13.956 -12.455 -4.647 7 2862 3061 1478 3811 Selective Selective 8464 1IAP ASP 98 H -10.612 13.94 -12.42 -4.641 7 2853 2690 1475 3918 Selective Selective 8465 1IAP PHE 99 H -12.672 17.377 -14.348 -4.913 8 3010 2680 1460 3986 Selective Selective 8466 1IAP TYR 100 H -13.086 16.07 -15.727 -5.093 8 2976 2375 1451 3924 Selective Selective 8467 1IAP HIS 101 H -12.595 16.217 -14.95 -5.012 8 2656 1710 1427 3741 Selective Selective 8468 1IAP SER 102 H -11.827 15.487 -13.95 -4.938 7 2434 1471 1377 3414 Selective Selective 8469 1IAP PHE 103 H -8.95 13.281 -10.494 -4.613 7 2506 2062 1331 3034 Selective Selective 8470 1IAP LEU 104 H -6.264 9.345 -8.613 -4.221 4 2822 3314 1286 2606 Selective Selective 8471 1IAP GLU 105 T -5.246 6.964 -8.618 -4.016 2 2996 4550 1242 2202 Selective Selective 8472 1IAP LYS 106 T -4.829 8.114 -7.541 -3.802 2 3431 5996 1220 1846 Selective Permissive 8473 1IAP THR 107 T -4.829 8.118 -7.543 -3.802 2 4019 7678 1208 1515 Selective Inactive 8474 1IAP ALA 108 T -4.829 8.113 -7.541 -3.801 2 4392 9563 1167 1223 Selective Inactive 8475 1IAP VAL 109 T -4.884 7.999 -7.44 -3.761 2 4527 11203 1158 968 Selective Inactive 8476 1IAP LEU 110 T -5.233 9.246 -6.492 -3.591 2 4804 12919 1126 737 Selective Inactive 8477 1IAP ARG 111 T -8.541 12.559 -9.892 -3.623 4 4951 14401 1083 547 Selective Inactive 8478 1IAP VAL 112 C -7.005 9.95 -8.023 -3.187 4 5228 16025 1048 387 Selective Inactive 8479 1IAP PRO 113 C -5.716 8.395 -7.507 -3.337 2 5518 17389 990 273 Selective Inactive 8480 1IAP VAL 114 C -5.499 9.035 -7.284 -3.346 2 5617 17835 965 219 Selective Inactive 8481 1IAP PRO 115 C -5.473 9.026 -7.366 -3.349 2 5659 18132 962 204 Selective Inactive 8482 1IAP PRO 116 H -5.469 9.02 -7.394 -3.355 2 5402 17530 965 188 Selective Inactive 8483 1IAP ASN 117 H -5.513 8.957 -7.354 -3.369 2 4870 16120 974 183 Selective Inactive 8484 1IAP VAL 118 H -6.101 10.246 -7.203 -3.391 4 4450 14702 987 177 Selective Inactive 8485 1IAP ALA 119 H -7.204 8.922 -9.511 -3.529 4 3796 13062 1004 165 Selective Inactive 8486 1IAP PHE 120 H -8.206 9.259 -11.239 -4.062 5 2980 11206 1009 152 Selective Inactive 8487 1IAP GLU 121 H -9.034 11.972 -12.507 -4.887 7 2326 9157 1018 145 Selective Inactive 8488 1IAP LEU 122 H -8.76 11.928 -11.841 -4.651 5 1890 7263 961 126 Selective Inactive 8489 1IAP ASP 123 H -8.329 10.3 -11.904 -4.398 5 1482 5485 921 113 Selective Inactive 8490 1IAP ARG 124 C -7.433 9.272 -10.663 -4.177 4 1197 3924 891 110 Selective Inactive 8491 1IAP THR 125 C -5.41 6.144 -8.765 -3.816 2 735 2202 861 107 Selective Inactive 8492 1IAP ARG 126 C -4.75 7.479 -7.581 -3.799 2 450 808 843 115 Gatekeeper Inactive 8493 1IAP ALA 127 G -4.739 7.509 -7.623 -3.81 2 417 349 837 126 Gatekeeper Inactive 8494 1IAP ASP 128 G -4.73 7.561 -7.653 -3.827 2 379 9 836 145 Inactive Inactive 8495 1IAP LEU 129 G -4.733 7.557 -7.641 -3.827 2 419 2 844 191 Inactive Inactive 8496 1IAP ILE 130 C -4.951 8.238 -7.173 -3.838 2 461 2 870 243 Inactive Inactive 8497 1IAP SER 131 C -6.663 10.025 -10.057 -4.649 4 536 4 906 326 Inactive Inactive 8498 1IAP GLU 132 H -7.04 10.686 -10.149 -4.845 4 570 5 939 417 Inactive Inactive 8499 1IAP ASP 133 H -8.021 10.537 -11.706 -4.919 5 591 7 972 528 Inactive Inactive 8500 1IAP VAL 134 H -8.71 10.454 -12.486 -4.964 5 650 9 1025 671 Inactive Inactive 8501 1IAP GLN 135 H -10.13 10.073 -15.381 -5.367 6 874 35 1096 804 Permissive Inactive 8502 1IAP ARG 136 H -10.673 10.404 -15.458 -5.151 6 949 44 1155 889 Permissive Inactive 8503 1IAP ARG 137 H -11.239 9.894 -15.573 -4.646 6 974 53 1202 963 Permissive Inactive 8504 1IAP PHE 138 H -12.086 15.838 -13.684 -4.435 7 998 60 1223 1010 Permissive Permissive 8505 1IAP VAL 139 H -10.924 11.905 -13.597 -4.197 7 940 63 1243 1024 Permissive Permissive 8506 1IAP GLN 140 H -10.612 10.972 -14.214 -4.335 7 853 68 1243 1020 Permissive Permissive 8507 1IAP GLU 141 H -10.565 10.882 -14.364 -4.363 7 798 77 1217 1004 Permissive Inactive 8508 1IAP VAL 142 H -10.567 10.793 -14.415 -4.371 7 746 85 1200 971 Permissive Inactive 8509 1IAP VAL 143 H -10.593 10.483 -14.522 -4.37 6 698 98 1172 939 Inactive Inactive 8510 1IAP GLN 144 H -10.946 9.439 -15.745 -4.625 6 582 119 1153 899 Inactive Inactive 8511 1IAP SER 145 H -11.653 8.824 -17.587 -4.896 6 540 150 1132 893 Inactive Inactive 8512 1IAP GLN 146 H -11.909 7.883 -18.941 -5.19 6 512 177 1131 922 Inactive Inactive 8513 1IAP GLN 147 H -9.41 7.702 -13.947 -4.527 5 455 187 1131 927 Inactive Inactive 8514 1IAP VAL 148 H -8.068 6.751 -11.804 -3.666 5 248 168 1151 995 Inactive Inactive 8515 1IAP ALA 149 H -8.067 6.759 -11.807 -3.667 5 198 169 1203 1180 Inactive Inactive 8516 1IAP VAL 150 H -8.067 6.76 -11.806 -3.667 5 180 165 1275 1400 Inactive Permissive 8517 1IAP GLY 151 H -8.068 6.759 -11.804 -3.666 5 161 169 1351 1685 Inactive Permissive 8518 1IAP ARG 152 H -8.132 6.651 -11.567 -3.569 5 176 169 1442 2019 Inactive Permissive 8519 1IAP GLN 153 H -11.634 10.423 -15.562 -4.443 6 173 164 1534 2411 Inactive Selective 8520 1IAP LEU 154 H -12.883 11.885 -17.298 -4.852 8 171 155 1631 2760 Inactive Selective 8521 1IAP GLU 155 H -13.132 11.828 -18.192 -5.221 8 179 172 1707 3006 Inactive Selective 8522 1IAP ASP 156 H -13.514 13.67 -18.054 -5.456 8 179 187 1782 3193 Inactive Selective 8523 1IAP PHE 157 H -13.599 13.876 -17.896 -5.491 8 174 192 1822 3336 Inactive Selective 8524 1IAP ARG 158 H -13.542 13.506 -18.215 -5.522 8 171 162 1845 3437 Inactive Selective 8525 1IAP SER 159 H -11.911 9.024 -17.631 -5.312 6 165 134 1826 3481 Inactive Selective 8526 1IAP LYS 160 H -9.99 8.425 -15.818 -5.645 6 153 124 1821 3606 Inactive Selective 8527 1IAP ARG 161 H -7.477 6.837 -12.556 -5.032 3 133 118 1817 3698 Inactive Selective 8528 1IAP LEU 162 H -4.436 6.839 -8.275 -4.773 2 108 108 1803 3701 Inactive Selective 8529 1IAP MET 163 H -4.377 7.018 -8.353 -4.782 2 101 104 1789 3712 Inactive Selective 8530 1IAP GLY 164 C -4.377 7.022 -8.355 -4.782 2 84 94 1787 3719 Inactive Selective 8531 1IAP MET 165 C -4.377 7.022 -8.355 -4.782 2 58 92 1790 3703 Inactive Selective 8532 1IAP THR 166 T -4.38 7.023 -8.333 -4.781 2 69 92 1802 3656 Inactive Selective 8533 1IAP PRO 167 T -5.767 8.739 -9.109 -4.868 3 78 93 1828 3673 Inactive Selective 8534 1IAP TRP 168 T -8.739 12.82 -11.512 -5.392 7 84 69 1851 3732 Inactive Selective 8535 1IAP GLU 169 H -11.119 13.934 -14.906 -5.685 8 87 42 1861 3775 Inactive Selective 8536 1IAP GLN 170 H -11.399 12.48 -15.847 -5.55 8 86 16 1851 3729 Inactive Selective 8537 1IAP GLU 171 H -12.04 10.368 -17.239 -5.262 8 89 15 1825 3635 Inactive Selective 8538 1IAP LEU 172 H -11.784 11.254 -17.057 -5.402 8 90 16 1802 3498 Inactive Selective 8539 1IAP ALA 173 H -10.154 9.173 -14.863 -4.82 6 95 15 1718 3235 Inactive Selective 8540 1IAP GLN 174 H -9.869 9.459 -14.767 -4.878 6 98 15 1640 2970 Inactive Selective 8541 1IAP LEU 175 H -9.572 9.585 -14.296 -4.72 6 100 17 1566 2738 Inactive Selective 8542 1IAP GLU 176 H -6.954 5.991 -11.685 -4.531 3 98 16 1513 2498 Inactive Selective 8543 1IAP ALA 177 H -4.755 4.293 -8.502 -3.541 2 99 18 1462 2264 Inactive Selective 8544 1IAP TRP 178 C -4.559 4.46 -8.767 -3.679 2 112 20 1401 2122 Inactive Selective 8545 1IAP VAL 179 C -4.381 4.274 -8.964 -3.699 2 120 19 1332 2051 Inactive Selective 8546 1IAP GLY 180 C -4.325 4.169 -9.122 -3.712 2 172 18 1271 1947 Inactive Permissive 8547 1IAP ARG 181 C -4.331 4.148 -9.099 -3.702 2 214 16 1230 1865 Inactive Permissive 8548 1IAP ASP 182 C -4.715 4.053 -9.711 -3.87 2 260 15 1202 1843 Inactive Inactive 8549 1IAP ARG 183 H -4.985 3.572 -9.865 -3.777 2 270 13 1215 1900 Inactive Inactive 8550 1IAP ALA 184 H -5.739 3.128 -10.761 -3.84 2 278 12 1248 1994 Inactive Permissive 8551 1IAP SER 185 H -8.001 4.196 -12.794 -3.655 5 287 10 1295 2171 Inactive Selective 8552 1IAP TYR 186 H -13.467 10.065 -20.818 -6.068 8 314 9 1386 2475 Inactive Selective 8553 1IAP GLU 187 H -14.297 11.014 -22.629 -6.756 8 326 8 1445 2686 Inactive Selective 8554 1IAP ALA 188 H -13.884 10.79 -20.495 -5.684 8 349 6 1473 2838 Inactive Selective 8555 1IAP ARG 189 H -13.714 11.815 -18.766 -5.06 8 433 6 1477 2904 Inactive Selective 8556 1IAP GLU 190 H -13.078 12.151 -17.279 -4.764 8 450 3 1480 2890 Inactive Selective 8557 1IAP ARG 191 H -12.382 11.108 -16.599 -4.523 8 468 0 1462 2758 Inactive Selective 8558 1IAP HIS 192 H -10.303 9.445 -13.685 -4.097 5 495 0 1440 2516 Inactive Selective 8559 1IAP VAL 193 H -10.276 9.628 -13.7 -4.11 5 559 2 1421 2306 Inactive Selective 8560 1IAP ALA 194 H -10.275 9.643 -13.701 -4.111 5 668 3 1394 2128 Inactive Selective 8561 1IAP GLU 195 H -10.269 9.679 -13.717 -4.12 5 773 3 1364 1957 Permissive Permissive 8562 1IAP ARG 196 H -10.252 9.869 -13.688 -4.14 5 899 5 1335 1829 Permissive Permissive 8563 1IAP LEU 197 H -11.466 14.215 -14.312 -4.661 7 977 6 1306 1763 Permissive Permissive 8564 1IAP LEU 198 H -11.172 14.982 -13.817 -5.024 7 998 6 1300 1648 Permissive Permissive 8565 1IAP MET 199 H -9.689 12.341 -12.924 -5.184 7 995 6 1280 1432 Permissive Permissive 8566 1IAP HIS 200 H -9.509 12.411 -13.083 -5.244 7 997 6 1241 1285 Permissive Permissive 8567 1IAP LEU 201 H -9.502 12.424 -13.124 -5.267 7 1002 6 1221 1159 Permissive Permissive 8568 1IAP GLU 202 H -9.235 11.265 -13.791 -5.384 6 1035 6 1192 1069 Permissive Inactive 8569 1IAP GLU 203 H -8.664 8.927 -14.062 -5.277 6 1112 6 1149 1013 Permissive Inactive 8570 1IAP MET 204 H -8.607 8.885 -13.978 -5.221 6 1133 7 1103 970 Permissive Inactive 8571 1IAP GLN 205 G -8.615 8.744 -14.036 -5.216 6 1123 13 1076 956 Permissive Inactive 8572 1IAP HIS 206 G -7.19 8.375 -10.866 -4.447 5 1045 16 1051 917 Permissive Inactive 8573 1IAP THR 207 G -7.072 8.475 -10.997 -4.492 5 978 42 1017 886 Permissive Inactive 8574 1IAP ILE 208 C -6.62 7.603 -11.07 -4.527 3 888 61 1005 866 Permissive Inactive 8575 1IAP SER 209 T -5.395 4.956 -10.641 -4.612 3 869 102 981 832 Permissive Inactive 8576 1IAP THR 210 T -5.361 5.048 -10.73 -4.641 3 893 151 950 747 Permissive Inactive 8577 1IAP ASP 211 T -5.386 4.906 -10.739 -4.653 3 990 284 901 673 Selective Inactive 8578 1IAP GLU 212 H -5.393 4.861 -10.728 -4.652 3 1018 375 856 604 Selective Inactive 8579 1IAP GLU 213 H -5.435 4.71 -10.689 -4.657 3 1036 461 836 560 Selective Inactive 8580 1IAP LYS 214 H -7.059 6.601 -12.243 -5.122 3 1056 566 812 563 Selective Inactive 8581 1IAP SER 215 H -9.963 8.432 -15.969 -5.49 6 1061 694 812 599 Selective Inactive 8582 1IAP ALA 216 H -9.11 9.952 -11.246 -3.572 5 1144 844 813 650 Selective Inactive 8583 1IAP ALA 217 H -8.613 10.62 -10.577 -3.514 4 1230 972 840 736 Selective Inactive 8584 1IAP VAL 218 H -8.538 10.985 -10.515 -3.532 4 1246 1007 863 819 Selective Inactive 8585 1IAP VAL 219 H -8.318 11.052 -10.666 -3.718 4 1238 1043 889 923 Selective Inactive 8586 1IAP ASN 220 H -8.241 10.946 -10.883 -3.805 4 1143 1048 915 1028 Selective Inactive 8587 1IAP ALA 221 H -8.388 11.235 -10.838 -3.887 4 - - - - - - 8588 1IAP ILE 222 H -8.685 11.327 -11.277 -4.142 4 - - - - - - 8589 1IAP GLY 223 H -8.784 10.904 -11.481 -4.224 4 - - - - - - 8590 1IAP LEU 224 H -9.463 10.265 -12.487 -4.423 5 - - - - - - 8591 1IAP TYR 225 H -12.836 14.993 -15.695 -5.081 8 - - - - - - 8592 1IAP MET 226 H -12.834 16.239 -17.58 -7.056 8 - - - - - - 8593 1IAP ARG 227 H -10.94 13.016 -15.331 -6.2 8 - - - - - - 8594 1IAP HIS 228 H -9.222 11.927 -12.964 -5.601 6 - - - - - - 8595 1IAP LEU 229 H -7.328 10.269 -9.837 -4.415 4 - - - - - - 8596 1IAP GLY 230 C -4.143 6.662 -6.201 -3.387 1 - - - - - - 8597 1IAP VAL 231 C -4.143 6.662 -6.201 -3.387 1 - - - - - - 8598 1IAP ARG 232 C -4.143 6.662 -6.201 -3.387 1 - - - - - - 8599 1IAP THR 233 C -4.143 6.662 -6.201 -3.387 1 - - - - - - 8600 1IFR GLY 432 C -8.925 5.169 -15.179 -4.57 5 - - - - - - 8601 1IFR SER 433 E -8.925 5.169 -15.179 -4.57 5 - - - - - - 8602 1IFR HIS 434 E -8.925 5.169 -15.179 -4.57 5 - - - - - - 8603 1IFR ARG 435 E -8.925 5.169 -15.179 -4.57 5 - - - - - - 8604 1IFR THR 436 E -7.844 9.171 -11.885 -5.018 5 - - - - - - 8605 1IFR SER 437 C -7.843 9.35 -11.756 -4.99 5 - - - - - - 8606 1IFR GLY 438 C -7.828 9.434 -11.756 -4.976 5 - - - - - - 8607 1IFR ARG 439 C -7.828 9.439 -11.745 -4.973 5 - - - - - - 8608 1IFR VAL 440 E -7.828 9.441 -11.748 -4.973 5 - - - - - - 8609 1IFR ALA 441 E -9.226 10.321 -12.893 -4.64 5 - - - - - - 8610 1IFR VAL 442 E -9.941 12.511 -12.207 -4.521 7 - - - - - - 8611 1IFR GLU 443 E -11.231 12.341 -15.886 -5.441 8 - - - - - - 8612 1IFR GLU 444 E -8.852 10.451 -12.665 -5.254 6 421 66 1177 1147 Inactive Gatekeeper 8613 1IFR VAL 445 E -7.631 9.192 -11.816 -5.129 5 482 67 1307 1346 Inactive Gatekeeper 8614 1IFR ASP 446 T -6.727 7.597 -11.821 -5.206 3 643 76 1437 1631 Inactive Gatekeeper 8615 1IFR GLU 447 T -6.708 7.73 -11.827 -5.213 3 801 98 1567 1922 Inactive Gatekeeper 8616 1IFR GLU 448 T -6.706 7.749 -11.827 -5.212 3 983 124 1676 2194 Inactive Selective 8617 1IFR GLY 449 T -6.722 7.677 -11.806 -5.211 3 1219 179 1774 2453 Inactive Selective 8618 1IFR LYS 450 C -6.845 7.368 -11.832 -5.235 3 1684 313 1836 2689 Inactive Selective 8619 1IFR PHE 451 E -8.694 11.974 -12.036 -5.4 5 2296 576 1880 2922 Permissive Selective 8620 1IFR VAL 452 E -10.089 13.786 -12.243 -5.096 7 2826 655 1920 3294 Permissive Selective 8621 1IFR ARG 453 E -13.305 16.235 -16.091 -5.38 8 3248 813 1954 3704 Permissive Selective 8622 1IFR LEU 454 E -13.055 12.846 -17.221 -5.264 8 3684 1096 1944 4014 Permissive Selective 8623 1IFR ARG 455 E -10.746 8.357 -16.379 -5.382 6 3977 1430 1930 4157 Permissive Selective 8624 1IFR ASN 456 E -8.71 7.116 -14.96 -5.766 6 4270 1774 1949 4479 Permissive Selective 8625 1IFR LYS 457 C -7.057 7.037 -12.663 -5.557 3 4434 1920 1975 4992 Permissive Selective 8626 1IFR SER 458 C -7.053 7.042 -12.693 -5.561 3 4527 2003 1998 5617 Permissive Selective 8627 1IFR ASN 459 C -7.041 7.047 -12.747 -5.564 3 4523 2060 2018 6263 Permissive Selective 8628 1IFR GLU 460 C -7.042 7.046 -12.741 -5.565 3 4496 2061 2030 6890 Permissive Selective 8629 1IFR ASP 461 C -7.077 7.049 -12.612 -5.552 3 4425 2081 2059 7544 Permissive Selective 8630 1IFR GLN 462 E -9.141 7.648 -15.817 -5.819 6 4274 2131 2076 8158 Permissive Selective 8631 1IFR SER 463 E -9.304 7.875 -15.529 -5.72 6 3893 2054 2103 8734 Permissive Selective 8632 1IFR MET 464 T -10.52 11.794 -15.634 -5.767 8 3392 1882 2131 9241 Permissive Selective 8633 1IFR GLY 465 T -10.546 11.969 -15.483 -5.748 8 2980 2295 2172 9440 Permissive Selective 8634 1IFR ASN 466 T -10.947 13.245 -15.021 -5.68 8 2680 2540 2164 9411 Permissive Selective 8635 1IFR TRP 467 E -11.138 14.25 -14.322 -5.651 8 2455 2743 2161 9234 Permissive Selective 8636 1IFR GLN 468 E -12.582 16.556 -16.029 -6.258 8 2224 2727 2139 8946 Permissive Selective 8637 1IFR ILE 469 E -12.836 16.646 -15.608 -6.071 8 1982 2775 2107 8491 Permissive Selective 8638 1IFR LYS 470 E -14.971 18.057 -17.864 -6.221 8 1960 3107 2053 7866 Permissive Selective 8639 1IFR ARG 471 E -14.091 7.771 -22.616 -6.504 8 2137 3943 1968 7085 Selective Selective 8640 1IFR GLN 472 E -8.296 4.895 -15.158 -5.518 6 2159 4756 1860 6179 Selective Selective 8641 1IFR ASN 473 E -6.087 2.946 -12.591 -4.886 3 2261 5981 1783 5281 Selective Selective 8642 1IFR GLY 474 T -4.616 3.043 -10.273 -4.492 2 2318 6928 1682 4371 Selective Selective 8643 1IFR ASP 475 T -4.569 3.211 -10.283 -4.469 2 2264 7396 1577 3518 Selective Selective 8644 1IFR ASP 476 T -4.567 3.228 -10.29 -4.47 2 2182 7859 1483 2718 Selective Gatekeeper 8645 1IFR PRO 477 C -4.568 3.225 -10.281 -4.468 2 2111 8419 1383 1987 Selective Gatekeeper 8646 1IFR LEU 478 C -4.614 3.251 -10.097 -4.435 2 2020 8218 1289 1429 Selective Gatekeeper 8647 1IFR LEU 479 E -6.068 5.376 -10.473 -4.203 2 1883 8041 1237 1036 Gatekeeper Gatekeeper 8648 1IFR THR 480 E -7.868 7.732 -12.005 -4.598 5 1668 7915 1192 795 Gatekeeper Inactive 8649 1IFR TYR 481 E -10.011 15.89 -11.289 -4.536 7 1600 7979 1162 696 Gatekeeper Inactive 8650 1IFR ARG 482 E -7.281 10.527 -8.412 -3.573 4 1484 7789 1133 622 Gatekeeper Inactive 8651 1IFR PHE 483 E -7.24 10.739 -8.452 -3.592 4 1302 7699 1135 614 Gatekeeper Inactive 8652 1IFR PRO 484 T -5.892 10.817 -6.733 -3.609 4 1038 7178 1155 641 Gatekeeper Inactive 8653 1IFR PRO 485 T -5.843 10.982 -6.807 -3.636 4 889 6355 1226 692 Gatekeeper Inactive 8654 1IFR LYS 486 T -5.812 11.109 -6.878 -3.674 4 697 5124 1268 762 Gatekeeper Inactive 8655 1IFR PHE 487 T -5.862 11.178 -6.749 -3.686 4 599 4198 1313 825 Gatekeeper Inactive 8656 1IFR THR 488 E -5.832 11.095 -6.934 -3.736 4 639 3664 1355 862 Gatekeeper Inactive 8657 1IFR LEU 489 E -6.787 12.012 -8.855 -4.287 4 650 3257 1403 906 Gatekeeper Inactive 8658 1IFR LYS 490 T -6.439 8.288 -10.334 -4.442 3 675 2882 1446 956 Inactive Inactive 8659 1IFR ALA 491 T -6.471 7.518 -10.71 -4.425 3 815 3210 1481 984 Gatekeeper Inactive 8660 1IFR GLY 492 T -6.454 7.551 -10.746 -4.434 3 1009 3726 1504 1012 Gatekeeper Inactive 8661 1IFR GLN 493 T -6.554 7.13 -10.832 -4.403 3 1229 4051 1525 1040 Gatekeeper Gatekeeper 8662 1IFR VAL 494 E -6.576 7.105 -10.764 -4.397 3 1513 4339 1550 1029 Gatekeeper Inactive 8663 1IFR VAL 495 E -7.623 9.287 -10.989 -4.309 4 1695 4690 1584 1025 Gatekeeper Permissive 8664 1IFR THR 496 E -8.326 10.635 -11.363 -4.646 5 1886 5117 1617 1015 Gatekeeper Permissive 8665 1IFR ILE 497 E -9.369 14.046 -10.823 -4.388 7 2257 6101 1660 1035 Selective Selective 8666 1IFR TRP 498 E -9.645 14.19 -12.109 -4.846 7 2627 7283 1644 1016 Selective Permissive 8667 1IFR ALA 499 T -5.209 6.769 -8.267 -4.007 2 3104 8420 1627 970 Selective Permissive 8668 1IFR ALA 500 T -3.831 6.381 -6.945 -4.019 2 3462 9378 1630 953 Selective Permissive 8669 1IFR GLY 501 T -2.806 5.851 -6.107 -4.043 1 3833 10341 1665 952 Selective Permissive 8670 1IFR ALA 502 T -2.61 6.412 -5.859 -4 1 4143 11107 1701 935 Selective Permissive 8671 1IFR GLY 503 C -2.541 6.452 -5.916 -3.982 1 4275 11504 1741 896 Selective Permissive 8672 1IFR ALA 504 C -2.538 6.477 -5.898 -3.972 1 4219 11354 1752 878 Selective Permissive 8673 1IFR THR 505 C -2.582 6.476 -5.817 -3.936 1 4092 10897 1767 842 Selective Permissive 8674 1IFR HIS 506 C -3.074 7.362 -5.651 -3.749 1 3953 10481 1775 795 Selective Permissive 8675 1IFR SER 507 B -3.624 6.728 -6.457 -3.62 1 3788 10190 1777 763 Selective Permissive 8676 1IFR PRO 508 T -4.276 6.923 -6.888 -3.36 1 3660 10108 1740 722 Selective Permissive 8677 1IFR PRO 509 T -4.496 6.41 -7.101 -3.365 1 3462 9341 1684 678 Selective Permissive 8678 1IFR THR 510 T -5.682 6.69 -9.224 -3.768 2 3031 7966 1606 605 Selective Permissive 8679 1IFR ASP 511 E -6.53 6.775 -10.207 -3.971 2 2668 6780 1556 567 Selective Inactive 8680 1IFR LEU 512 E -8.63 12.21 -11.828 -4.843 7 2276 5809 1518 545 Selective Inactive 8681 1IFR VAL 513 E -8.143 12.933 -9.634 -4.35 4 1936 4971 1429 489 Gatekeeper Inactive 8682 1IFR TRP 514 T -7.101 11.529 -9.182 -4.491 4 1541 4070 1311 442 Gatekeeper Inactive 8683 1IFR LYS 515 T -5.225 7.712 -8.373 -4.323 2 1241 3251 1194 398 Gatekeeper Inactive 8684 1IFR ALA 516 T -5.224 7.716 -8.375 -4.323 2 1026 2613 1103 384 Inactive Inactive 8685 1IFR GLN 517 T -5.224 7.713 -8.376 -4.324 2 925 2206 1063 393 Inactive Inactive 8686 1IFR ASN 518 T -5.226 7.692 -8.378 -4.326 2 865 1975 1049 433 Inactive Inactive 8687 1IFR THR 519 T -5.245 7.575 -8.367 -4.321 2 805 1831 1036 510 Inactive Inactive 8688 1IFR TRP 520 T -6.538 9.222 -10.268 -5.046 3 667 1548 1036 593 Inactive Inactive 8689 1IFR GLY 521 C -4.225 4.523 -9.026 -4.609 2 723 1160 1043 671 Inactive Inactive 8690 1IFR CYS 522 C -4.212 4.577 -9.052 -4.604 2 750 1138 1074 744 Inactive Inactive 8691 1IFR GLY 523 T -4.212 4.574 -9.051 -4.604 2 815 1197 1106 824 Inactive Inactive 8692 1IFR ASN 524 T -4.213 4.569 -9.049 -4.603 2 840 1158 1136 897 Inactive Inactive 8693 1IFR SER 525 T -4.224 4.485 -9.029 -4.595 2 785 991 1153 993 Inactive Inactive 8694 1IFR LEU 526 E -6.468 6.984 -10.241 -4.374 3 737 822 1226 1122 Inactive Gatekeeper 8695 1IFR ARG 527 E -9.815 10.395 -13.551 -4.918 6 720 737 1301 1253 Inactive Gatekeeper 8696 1IFR THR 528 E -11.64 15.597 -14.207 -5.019 8 716 676 1377 1452 Inactive Gatekeeper 8697 1IFR ALA 529 E -11.527 15.616 -14.191 -5.056 8 771 648 1416 1545 Inactive Gatekeeper 8698 1IFR LEU 530 E -9.104 13.139 -10.779 -4.621 7 791 586 1437 1557 Inactive Gatekeeper 8699 1IFR ILE 531 E -5.824 8.649 -9.082 -4.788 3 783 526 1413 1533 Inactive Gatekeeper 8700 1IFR ASN 532 T -3.875 5.909 -8.024 -4.725 2 - - - - - - 8701 1IFR SER 533 T -3.781 5.928 -8.281 -4.793 2 - - - - - - 8702 1IFR THR 534 T -3.777 5.936 -8.306 -4.795 2 - - - - - - 8703 1IFR GLY 535 T -3.777 5.935 -8.306 -4.795 2 - - - - - - 8704 1IFR GLU 536 C -3.796 5.847 -8.28 -4.795 2 - - - - - - 8705 1IFR GLU 537 E -4.89 6.072 -9.843 -5.172 3 - - - - - - 8706 1IFR VAL 538 E -6.646 6.964 -11.511 -5.139 3 - - - - - - 8707 1IFR ALA 539 E -8.897 8.121 -13.676 -5.084 6 - - - - - - 8708 1IFR MET 540 E -12.102 13.8 -16.308 -5.77 8 - - - - - - 8709 1IFR ARG 541 E -8.908 11.571 -10.847 -4.259 4 - - - - - - 8710 1IFR LYS 542 E -8.908 11.571 -10.847 -4.259 4 - - - - - - 8711 1IFR LEU 543 E -8.908 11.571 -10.847 -4.259 4 - - - - - - 8712 1IFR VAL 544 C -8.908 11.571 -10.847 -4.259 4 - - - - - - 8713 1IHK THR 52 H -2.609 2.985 -6.161 -3.204 1 - - - - - - 8714 1IHK ASP 53 H -2.609 2.985 -6.161 -3.204 1 - - - - - - 8715 1IHK LEU 54 H -2.609 2.985 -6.161 -3.204 1 - - - - - - 8716 1IHK ASP 55 H -2.609 2.985 -6.161 -3.204 1 - - - - - - 8717 1IHK HIS 56 H -3.664 4.302 -8.168 -4.131 2 - - - - - - 8718 1IHK LEU 57 H -4.351 5.211 -9.318 -4.785 2 - - - - - - 8719 1IHK LYS 58 H -5.24 6.162 -11.369 -5.813 3 - - - - - - 8720 1IHK GLY 59 H -6.067 6.801 -13.239 -6.775 3 - - - - - - 8721 1IHK ILE 60 H -7.137 8.915 -14.76 -7.596 6 - - - - - - 8722 1IHK LEU 61 H -7.486 8.581 -15.257 -7.789 6 - - - - - - 8723 1IHK ARG 62 C -9.156 10.098 -16.881 -7.99 6 - - - - - - 8724 1IHK ARG 63 E -12.599 13.694 -20.727 -8.772 8 - - - - - - 8725 1IHK ARG 64 E -14.025 15.32 -19.07 -6.805 8 2787 807 1521 5429 Permissive Selective 8726 1IHK GLN 65 E -15.892 17.406 -19.054 -5.936 8 2877 891 1476 5618 Permissive Selective 8727 1IHK LEU 66 E -13.148 16.921 -14.627 -5.262 8 2873 1037 1420 5699 Permissive Gatekeeper 8728 1IHK TYR 67 E -10.747 12.055 -14.241 -5.385 6 2863 1170 1365 5586 Selective Gatekeeper 8729 1IHK CYS 68 E -10.298 12.755 -13.776 -5.377 7 2743 1473 1309 5418 Selective Gatekeeper 8730 1IHK ARG 69 T -10.284 12.801 -13.813 -5.383 7 2572 1634 1303 5186 Selective Gatekeeper 8731 1IHK THR 70 T -10.283 12.808 -13.817 -5.383 7 2219 1757 1279 4870 Selective Gatekeeper 8732 1IHK GLY 71 T -10.288 12.778 -13.812 -5.385 7 1897 1887 1263 4432 Selective Gatekeeper 8733 1IHK PHE 72 E -10.645 13.447 -13.463 -5.383 7 1807 2259 1272 4021 Selective Gatekeeper 8734 1IHK HIS 73 E -12.487 15.107 -15.534 -5.639 8 1583 2348 1263 3578 Selective Gatekeeper 8735 1IHK LEU 74 E -12.588 19.057 -13.023 -5.133 7 1268 2467 1239 3050 Selective Gatekeeper 8736 1IHK GLU 75 E -10.811 15.291 -12.895 -5.385 7 902 2524 1199 2493 Gatekeeper Gatekeeper 8737 1IHK ILE 76 E -7.835 12.521 -9.293 -4.646 4 762 2774 1147 1955 Gatekeeper Inactive 8738 1IHK PHE 77 T -6.503 9.108 -9.283 -4.423 4 709 2869 1116 1539 Gatekeeper Inactive 8739 1IHK PRO 78 T -4.936 7.732 -7.346 -3.96 2 663 2952 1094 1226 Gatekeeper Inactive 8740 1IHK ASN 79 T -4.922 7.741 -7.419 -3.972 2 699 2822 1065 971 Gatekeeper Inactive 8741 1IHK GLY 80 T -4.919 7.748 -7.444 -3.976 2 759 2711 1029 819 Gatekeeper Inactive 8742 1IHK THR 81 C -4.922 7.719 -7.438 -3.973 2 724 2386 1028 704 Gatekeeper Inactive 8743 1IHK ILE 82 E -4.96 7.655 -7.317 -3.945 2 693 2165 1019 670 Gatekeeper Inactive 8744 1IHK GLN 83 E -6.943 8.438 -10.844 -4.532 5 703 1940 1019 695 Gatekeeper Inactive 8745 1IHK GLY 84 E -6.992 7.399 -11.637 -4.647 3 704 1717 1038 846 Gatekeeper Inactive 8746 1IHK THR 85 E -7.119 6.998 -11.8 -4.659 3 589 1175 1049 971 Gatekeeper Inactive 8747 1IHK ARG 86 C -7.163 6.702 -11.833 -4.646 3 616 969 1068 1106 Inactive Inactive 8748 1IHK LYS 87 T -7.167 6.657 -11.837 -4.648 3 629 774 1097 1289 Inactive Inactive 8749 1IHK ASP 88 T -7.206 6.584 -11.766 -4.654 3 673 642 1148 1472 Inactive Inactive 8750 1IHK HIS 89 T -9.179 7.869 -14.249 -4.995 6 682 370 1208 1646 Inactive Inactive 8751 1IHK SER 90 T -10.341 9.331 -15.556 -5.005 6 754 268 1282 1826 Inactive Inactive 8752 1IHK ARG 91 T -10.601 11.399 -14.619 -4.938 6 761 276 1351 2004 Inactive Inactive 8753 1IHK PHE 92 T -10.918 14.203 -13.069 -4.736 7 758 401 1459 2160 Inactive Permissive 8754 1IHK GLY 93 T -10.92 14.323 -12.989 -4.727 7 762 537 1552 2262 Inactive Selective 8755 1IHK ILE 94 E -10.93 14.578 -12.801 -4.701 7 939 657 1593 2292 Inactive Selective 8756 1IHK LEU 95 E -11.377 17.547 -12.487 -4.923 7 1051 733 1643 2274 Inactive Selective 8757 1IHK GLU 96 E -9.7 16.056 -10.064 -4.707 7 1060 772 1701 2216 Inactive Selective 8758 1IHK PHE 97 E -8.55 13.922 -8.975 -4.04 4 1093 882 1705 2075 Inactive Permissive 8759 1IHK ILE 98 E -5.091 6.981 -6.722 -3.168 1 1064 903 1707 1981 Inactive Permissive 8760 1IHK SER 99 E -3.671 5.103 -6.481 -3.404 1 965 918 1712 1880 Inactive Permissive 8761 1IHK ILE 100 E -3.343 5.467 -6.384 -3.468 1 920 963 1707 1770 Inactive Permissive 8762 1IHK ALA 101 E -3.335 5.481 -6.414 -3.47 1 875 1141 1709 1665 Inactive Permissive 8763 1IHK VAL 102 T -3.335 5.481 -6.415 -3.47 1 830 1175 1703 1578 Gatekeeper Permissive 8764 1IHK GLY 103 T -3.366 5.398 -6.396 -3.485 1 746 1199 1692 1541 Gatekeeper Permissive 8765 1IHK LEU 104 E -3.833 5.958 -6.302 -3.542 1 701 1104 1695 1562 Inactive Permissive 8766 1IHK VAL 105 E -5.863 6.509 -8.558 -3.571 2 631 975 1683 1595 Inactive Permissive 8767 1IHK SER 106 E -8.43 8.658 -11.309 -4.021 5 534 817 1684 1665 Inactive Permissive 8768 1IHK ILE 107 E -10.737 14.986 -13.622 -5.298 7 356 700 1705 1835 Inactive Permissive 8769 1IHK ARG 108 E -11.034 11.63 -14.974 -4.764 7 242 626 1703 1984 Inactive Permissive 8770 1IHK GLY 109 E -7.956 6.616 -13.139 -5.059 3 236 585 1683 2115 Inactive Permissive 8771 1IHK VAL 110 T -7.913 6.776 -13.169 -5.044 3 231 484 1703 2274 Inactive Selective 8772 1IHK ASP 111 T -7.913 6.772 -13.17 -5.045 3 319 475 1733 2398 Inactive Selective 8773 1IHK SER 112 T -7.913 6.765 -13.169 -5.045 3 354 464 1749 2502 Inactive Selective 8774 1IHK GLY 113 T -7.915 6.761 -13.163 -5.045 3 402 460 1753 2570 Inactive Selective 8775 1IHK LEU 114 C -9.476 8.99 -13.606 -4.853 6 434 345 1754 2597 Inactive Selective 8776 1IHK TYR 115 E -12.175 14.101 -15.823 -5.339 8 462 322 1765 2604 Inactive Selective 8777 1IHK LEU 116 E -10.886 13.703 -13.942 -5.544 8 488 282 1739 2504 Inactive Selective 8778 1IHK GLY 117 E -8.521 9.36 -12.954 -5.505 6 555 223 1672 2316 Inactive Selective 8779 1IHK MET 118 E -8.013 9.632 -12.704 -5.561 5 572 211 1592 2123 Inactive Permissive 8780 1IHK ASN 119 E -5.915 6.637 -10.592 -5.068 3 602 210 1520 1933 Inactive Permissive 8781 1IHK GLU 120 T -5.825 7.101 -10.496 -5.044 3 604 206 1433 1690 Inactive Inactive 8782 1IHK LYS 121 T -5.825 7.103 -10.497 -5.044 3 601 201 1327 1452 Inactive Inactive 8783 1IHK GLY 122 T -5.831 7.084 -10.474 -5.039 3 563 200 1229 1232 Inactive Inactive 8784 1IHK GLU 123 E -5.839 7.043 -10.443 -5.031 3 517 191 1129 1008 Inactive Inactive 8785 1IHK LEU 124 E -6.982 9.973 -9.944 -4.903 4 447 192 1040 808 Inactive Inactive 8786 1IHK TYR 125 E -8.306 8.645 -12.567 -4.853 5 439 211 979 645 Inactive Inactive 8787 1IHK GLY 126 E -4.821 8.434 -7.429 -4.554 2 461 206 950 564 Inactive Inactive 8788 1IHK SER 127 E -4.668 8.13 -7.74 -4.516 2 527 144 939 523 Inactive Inactive 8789 1IHK GLU 128 T -4.04 7.325 -7.323 -4.333 2 653 189 944 527 Inactive Inactive 8790 1IHK LYS 129 T -4.039 7.326 -7.33 -4.334 2 767 253 988 614 Inactive Inactive 8791 1IHK LEU 130 T -4.039 7.325 -7.327 -4.334 2 851 310 1069 778 Inactive Inactive 8792 1IHK THR 131 C -4.223 6.918 -7.292 -4.251 2 1157 472 1146 996 Permissive Inactive 8793 1IHK GLN 132 G -4.291 6.895 -7.109 -4.234 2 1447 774 1207 1224 Permissive Inactive 8794 1IHK GLU 133 G -7.777 7.969 -12.008 -4.754 5 1842 1154 1282 1490 Selective Inactive 8795 1IHK CYS 134 G -9.327 9.298 -13.877 -5.033 6 2169 1487 1368 1771 Selective Inactive 8796 1IHK VAL 135 E -10.116 9.167 -14.419 -4.949 6 2453 1699 1466 2177 Selective Selective 8797 1IHK PHE 136 E -13.657 14.409 -16.56 -5.133 8 2831 2059 1568 2705 Selective Selective 8798 1IHK ARG 137 E -14.684 13.285 -20.375 -6.393 8 3143 2156 1646 3178 Selective Selective 8799 1IHK GLU 138 E -11.501 10.755 -16.627 -5.981 8 3374 2184 1711 3622 Selective Selective 8800 1IHK GLN 139 E -9.396 8.801 -14.636 -5.622 6 3570 2269 1752 4034 Selective Selective 8801 1IHK PHE 140 E -6.024 7.951 -9.583 -4.784 3 3605 2317 1811 4545 Selective Selective 8802 1IHK GLU 141 E -5.981 8.288 -9.581 -4.818 3 3606 2271 1876 5024 Selective Selective 8803 1IHK GLU 142 E -5.974 8.333 -9.6 -4.821 3 3575 2208 1925 5416 Selective Selective 8804 1IHK ASN 143 T -5.974 8.334 -9.6 -4.821 3 3496 2137 1960 5701 Selective Selective 8805 1IHK TRP 144 T -5.976 8.333 -9.585 -4.819 3 3287 1982 1988 5874 Selective Selective 8806 1IHK TYR 145 E -7.464 12.686 -9.803 -5.25 4 2985 1679 2001 5984 Selective Selective 8807 1IHK ASN 146 E -8.584 12.07 -11.13 -5.144 5 2588 1299 2010 6084 Selective Selective 8808 1IHK THR 147 E -11.027 14.036 -13.656 -5.501 8 2271 966 2022 6192 Permissive Selective 8809 1IHK TYR 148 E -14.265 16.211 -18.342 -6.048 8 1984 748 1998 6044 Permissive Selective 8810 1IHK SER 149 E -13.183 13.178 -18.042 -6.047 8 1611 389 1961 5700 Permissive Selective 8811 1IHK SER 150 E -11.687 13.104 -16.007 -6.019 8 1279 281 1932 5385 Permissive Selective 8812 1IHK ASN 151 E -11.537 13.369 -16.176 -6.118 8 1108 252 1889 5081 Inactive Selective 8813 1IHK LEU 152 E -11.006 13.307 -14.893 -5.565 8 943 191 1867 4719 Inactive Selective 8814 1IHK TYR 153 E -9.831 11.669 -13.286 -5.13 6 862 166 1803 4178 Inactive Selective 8815 1IHK LYS 154 E -5.457 6.703 -9.202 -4.558 2 895 171 1717 3623 Inactive Selective 8816 1IHK HIS 155 T -3.704 4.576 -8.04 -4.418 2 885 184 1642 3141 Inactive Selective 8817 1IHK VAL 156 T -3.61 4.563 -8.212 -4.415 2 936 214 1578 2719 Inactive Selective 8818 1IHK ASP 157 T -3.61 4.563 -8.212 -4.415 2 1049 263 1516 2359 Inactive Selective 8819 1IHK THR 158 T -3.61 4.563 -8.212 -4.415 2 1314 428 1468 2055 Permissive Permissive 8820 1IHK GLY 159 T -3.637 4.463 -8.164 -4.408 2 1664 640 1431 1727 Permissive Inactive 8821 1IHK ARG 160 C -4.752 4.471 -9.189 -4.38 2 2301 1485 1395 1393 Selective Inactive 8822 1IHK ARG 161 E -10.063 7.47 -16.179 -5.744 6 2707 2107 1370 1215 Selective Inactive 8823 1IHK TYR 162 E -13.718 16.553 -16.896 -5.957 8 2982 2577 1347 1105 Selective Inactive 8824 1IHK TYR 163 E -13.713 19.408 -14.315 -5.141 8 3122 3019 1299 966 Selective Inactive 8825 1IHK VAL 164 C -10.582 12.788 -12.368 -4.361 7 3149 3407 1260 814 Selective Inactive 8826 1IHK ALA 165 C -8.979 9.392 -12.679 -4.688 5 3098 3587 1194 684 Selective Inactive 8827 1IHK LEU 166 B -8.025 8.246 -12.533 -4.913 5 3064 3732 1159 643 Selective Inactive 8828 1IHK ASN 167 T -5.642 4.792 -10.524 -4.629 3 2970 4007 1129 649 Selective Inactive 8829 1IHK LYS 168 T -4.882 5.826 -8.805 -4.168 2 2924 4132 1101 657 Selective Inactive 8830 1IHK ASP 169 T -4.882 5.826 -8.806 -4.168 2 2853 4176 1089 736 Selective Inactive 8831 1IHK GLY 170 T -4.883 5.823 -8.802 -4.168 2 2747 4221 1103 913 Selective Inactive 8832 1IHK THR 171 C -4.885 5.815 -8.787 -4.164 2 2486 4076 1142 1210 Selective Inactive 8833 1IHK PRO 172 B -5.075 6.224 -8.144 -3.99 2 2166 3903 1197 1661 Selective Inactive 8834 1IHK ARG 173 C -10.216 8.442 -15.675 -4.916 6 1533 3060 1268 2273 Selective Gatekeeper 8835 1IHK GLU 174 T -9.086 8.437 -13.979 -5.177 6 1173 2438 1355 2967 Selective Gatekeeper 8836 1IHK GLY 175 T -8.924 8.664 -14.159 -5.29 6 1028 1985 1432 3686 Gatekeeper Gatekeeper 8837 1IHK THR 176 T -8.929 8.664 -14.136 -5.29 6 1101 1542 1514 4351 Gatekeeper Selective 8838 1IHK ARG 177 T -8.932 8.654 -14.126 -5.29 6 1149 1137 1589 4980 Inactive Selective 8839 1IHK THR 178 T -8.948 8.662 -14.087 -5.302 6 1159 904 1659 5582 Permissive Selective 8840 1IHK LYS 179 T -9.745 9.37 -14.905 -5.656 6 1257 852 1702 6120 Permissive Selective 8841 1IHK ARG 180 T -11.689 9.472 -18.516 -6.063 8 1352 790 1731 6583 Permissive Selective 8842 1IHK HIS 181 T -10.104 12.398 -13.954 -5.778 8 1385 831 1772 6918 Permissive Selective 8843 1IHK GLN 182 T -10.081 12.485 -14.005 -5.79 8 1492 1611 1778 7093 Selective Selective 8844 1IHK LYS 183 G -10.095 12.57 -13.898 -5.783 8 1552 2469 1766 7065 Selective Selective 8845 1IHK PHE 184 G -10.114 12.703 -13.74 -5.774 8 1779 3573 1730 6847 Selective Selective 8846 1IHK THR 185 G -10.114 12.763 -13.694 -5.765 8 1876 4355 1677 6421 Selective Selective 8847 1IHK HIS 186 E -11.857 15.564 -14.953 -5.896 8 2152 5904 1609 5791 Selective Selective 8848 1IHK PHE 187 E -11.991 16.257 -13.124 -4.554 7 2305 7397 1524 5031 Selective Selective 8849 1IHK LEU 188 E -9.319 11.855 -10.537 -3.862 4 2296 8618 1425 4246 Selective Gatekeeper 8850 1IHK PRO 189 E -8.69 11.535 -10.895 -4.213 4 2236 9864 1334 3563 Selective Gatekeeper 8851 1IHK ARG 190 E -8.222 10.198 -11.218 -4.193 4 2127 10456 1253 2931 Selective Gatekeeper 8852 1IHK PRO 191 C -4.678 6.906 -6.902 -3.663 2 2143 11153 1179 2333 Selective Gatekeeper 8853 1IHK VAL 192 C -4.219 7.274 -6.796 -3.802 2 2018 11204 1118 1789 Selective Inactive 8854 1IHK ASP 193 T -4.159 7.357 -6.885 -3.818 2 1851 11148 1075 1295 Selective Inactive 8855 1IHK PRO 194 T -4.123 7.35 -6.963 -3.81 2 1779 11066 1011 920 Selective Inactive 8856 1IHK ASP 195 T -4.121 7.349 -6.977 -3.812 2 1601 10210 958 652 Selective Inactive 8857 1IHK LYS 196 T -4.413 7.632 -7.028 -3.905 2 - - - - - - 8858 1IHK VAL 197 T -5.227 7.774 -7.994 -3.866 2 - - - - - - 8859 1IHK PRO 198 T -5.756 7.298 -8.456 -3.746 2 - - - - - - 8860 1IHK GLU 199 T -7.31 8.204 -11.713 -4.815 3 - - - - - - 8861 1IHK LEU 200 G -8.228 12.28 -14.142 -6.755 6 - - - - - - 8862 1IHK TYR 201 G -7.374 9.364 -13.321 -6.426 6 - - - - - - 8863 1IHK LYS 202 G -6.442 7.184 -12.076 -5.657 3 - - - - - - 8864 1IHK ASP 203 G -4.68 5.634 -8.569 -4.33 2 - - - - - - 8865 1IHK ILE 204 C -2.206 4.104 -4.516 -3.067 1 - - - - - - 8866 1IHK LEU 205 C -1.798 3.349 -4.699 -2.856 1 - - - - - - 8867 1IHK SER 206 C -1.798 3.349 -4.699 -2.856 1 - - - - - - 8868 1IHK GLN 207 C -1.798 3.349 -4.699 -2.856 1 - - - - - - 8869 1IHK SER 208 C -1.798 3.349 -4.699 -2.856 1 - - - - - - 8870 1IJR ALA 1 C -3.429 3.263 -6.46 -2.93 1 - - - - - - 8871 1IJR PRO 2 C -3.429 3.263 -6.46 -2.93 1 - - - - - - 8872 1IJR GLU 3 T -3.429 3.263 -6.46 -2.93 1 - - - - - - 8873 1IJR PRO 4 T -3.429 3.263 -6.46 -2.93 1 - - - - - - 8874 1IJR TRP 5 T -6.273 10.186 -8.168 -4.099 4 - - - - - - 8875 1IJR PHE 6 B -7.558 14.201 -9.001 -4.959 4 - - - - - - 8876 1IJR PHE 7 T -8.283 12.607 -10.629 -4.712 4 - - - - - - 8877 1IJR LYS 8 T -8.167 11.816 -11.106 -4.717 5 - - - - - - 8878 1IJR ASN 9 T -8.164 11.777 -11.141 -4.717 5 - - - - - - 8879 1IJR LEU 10 T -8.166 11.737 -11.136 -4.71 5 - - - - - - 8880 1IJR SER 11 C -8.629 9.953 -12.637 -4.811 5 - - - - - - 8881 1IJR ARG 12 H -9.083 9.168 -13.4 -4.904 6 - - - - - - 8882 1IJR LYS 13 H -10.109 8.608 -15.743 -4.965 6 1815 1578 701 526 Selective Inactive 8883 1IJR ASP 14 H -10.251 8.445 -15.631 -4.849 6 1759 1238 716 590 Selective Inactive 8884 1IJR ALA 15 H -10.272 8.413 -15.555 -4.827 6 1762 1240 720 662 Selective Inactive 8885 1IJR GLU 16 H -10.369 8.312 -15.392 -4.759 6 1852 1611 735 743 Selective Inactive 8886 1IJR ARG 17 H -10.385 8.447 -15.184 -4.667 6 1820 1978 780 828 Selective Inactive 8887 1IJR GLN 18 H -10.625 10.082 -14.554 -4.528 6 1582 2324 826 980 Selective Inactive 8888 1IJR LEU 19 H -6.777 6.824 -10.336 -4.046 2 1657 3042 898 1145 Selective Inactive 8889 1IJR LEU 20 H -6.291 5.437 -11.325 -4.343 3 1854 3736 1001 1425 Selective Inactive 8890 1IJR ALA 21 T -6.147 4.885 -11.822 -4.431 3 2044 4294 1082 1701 Selective Inactive 8891 1IJR PRO 22 T -6.114 4.866 -11.96 -4.474 3 2203 4615 1166 1957 Selective Inactive 8892 1IJR GLY 23 T -6.11 4.867 -11.987 -4.483 3 2306 4623 1272 2233 Selective Inactive 8893 1IJR ASN 24 T -6.342 3.934 -12.783 -4.693 3 2266 4514 1371 2474 Selective Inactive 8894 1IJR THR 25 T -6.898 3.302 -13.843 -4.874 3 2223 4345 1439 2687 Selective Gatekeeper 8895 1IJR HIS 26 T -7.768 4.694 -14.602 -5.29 6 2132 4176 1518 2926 Selective Selective 8896 1IJR GLY 27 T -9.013 5.903 -16.129 -5.722 6 2207 4107 1571 3136 Selective Selective 8897 1IJR SER 28 E -10.373 10.03 -15.815 -5.491 6 2302 3849 1640 3333 Selective Selective 8898 1IJR PHE 29 E -10.751 12.598 -14.2 -5.212 6 2355 3509 1725 3460 Selective Selective 8899 1IJR LEU 30 E -12.053 16.653 -13.702 -5.037 8 2325 3083 1779 3592 Selective Selective 8900 1IJR ILE 31 E -12.349 17.283 -13.111 -4.884 7 2221 2639 1827 3638 Selective Selective 8901 1IJR ARG 32 E -13.286 10.389 -19.812 -6.149 8 1975 1892 1831 3721 Selective Selective 8902 1IJR GLU 33 E -8.264 7.272 -13.765 -5.446 6 1745 1222 1797 3671 Permissive Selective 8903 1IJR SER 34 T -5.41 5.613 -10.425 -4.968 3 1487 687 1794 3716 Permissive Selective 8904 1IJR GLU 35 T -4.416 4.517 -9.913 -4.87 3 1255 374 1790 3793 Permissive Selective 8905 1IJR SER 36 T -4.313 4.5 -10.004 -4.825 3 1082 405 1779 3829 Permissive Selective 8906 1IJR THR 37 T -4.31 4.519 -10.01 -4.825 3 974 425 1773 3800 Permissive Selective 8907 1IJR ALA 38 T -4.31 4.516 -10.005 -4.824 3 901 457 1785 3786 Permissive Selective 8908 1IJR GLY 39 T -4.411 4.316 -9.931 -4.798 2 854 495 1771 3788 Permissive Selective 8909 1IJR SER 40 T -5.383 4.528 -10.497 -4.592 3 742 502 1793 3875 Permissive Selective 8910 1IJR PHE 41 E -7.482 8.724 -11.231 -4.822 5 562 612 1808 3925 Inactive Selective 8911 1IJR CYS 42 E -10.156 10.391 -14.528 -5.367 6 400 590 1808 4110 Inactive Selective 8912 1IJR LEU 43 E -12.913 15.471 -16.354 -5.716 8 339 598 1820 4281 Inactive Selective 8913 1IJR SER 44 E -13.886 17.471 -15.75 -5.23 8 327 606 1834 4324 Inactive Selective 8914 1IJR VAL 45 E -13.942 17.466 -15.589 -5.182 8 312 602 1844 4216 Inactive Selective 8915 1IJR ARG 46 E -14.238 10.634 -23.222 -7.562 8 327 604 1842 4128 Inactive Selective 8916 1IJR ASP 47 E -8.784 6.014 -14.905 -5.232 6 376 638 1811 3933 Inactive Selective 8917 1IJR PHE 48 E -6.176 4.978 -11.337 -4.673 3 450 677 1775 3778 Inactive Selective 8918 1IJR ASP 49 T -4.388 3.567 -10.022 -4.751 2 522 694 1735 3631 Inactive Selective 8919 1IJR GLN 50 T -4.358 3.575 -10.138 -4.765 3 569 731 1711 3541 Inactive Selective 8920 1IJR ASN 51 T -4.354 3.585 -10.155 -4.766 3 610 718 1707 3480 Inactive Selective 8921 1IJR GLN 52 T -4.354 3.587 -10.155 -4.766 3 608 681 1703 3345 Inactive Selective 8922 1IJR GLY 53 T -4.382 3.521 -10.1 -4.77 2 594 630 1674 3129 Inactive Selective 8923 1IJR GLU 54 E -6.069 3.96 -12.455 -5.012 3 558 454 1681 2961 Inactive Selective 8924 1IJR VAL 55 E -7.32 5.559 -13.127 -4.955 3 555 387 1667 2707 Inactive Selective 8925 1IJR VAL 56 E -8.642 8.726 -13.237 -4.898 5 694 429 1646 2428 Permissive Permissive 8926 1IJR LYS 57 E -9.778 10.77 -14.184 -5.299 6 699 458 1630 2343 Permissive Permissive 8927 1IJR HIS 58 E -10.938 13.191 -14.927 -5.629 8 738 633 1661 2371 Permissive Permissive 8928 1IJR TYR 59 E -11.831 15.396 -15.15 -5.62 8 772 884 1703 2339 Permissive Permissive 8929 1IJR LYS 60 E -11.609 13.6 -15.618 -5.512 8 730 927 1716 2258 Permissive Permissive 8930 1IJR ILE 61 E -10.104 11.643 -13.53 -4.999 7 673 1076 1703 2071 Permissive Permissive 8931 1IJR ARG 62 E -8.136 7.281 -13.069 -4.94 5 612 1222 1668 1862 Inactive Permissive 8932 1IJR ASN 63 E -4.986 3.802 -10.582 -4.817 3 593 1438 1619 1672 Gatekeeper Permissive 8933 1IJR LEU 64 T -2.687 3.654 -7.539 -4.615 2 566 1600 1529 1441 Gatekeeper Permissive 8934 1IJR ASP 65 T -2.686 3.661 -7.545 -4.616 2 615 1968 1471 1262 Gatekeeper Inactive 8935 1IJR ASN 66 T -2.686 3.661 -7.545 -4.616 2 641 2520 1423 1125 Selective Inactive 8936 1IJR GLY 67 T -2.686 3.661 -7.545 -4.615 2 664 3286 1350 993 Selective Inactive 8937 1IJR GLY 68 C -2.699 3.657 -7.477 -4.609 2 620 3931 1300 884 Gatekeeper Inactive 8938 1IJR PHE 69 E -6.384 7.103 -10.626 -4.804 3 547 4488 1282 795 Gatekeeper Inactive 8939 1IJR TYR 70 E -9.26 12.489 -11.28 -4.444 7 523 4622 1256 673 Gatekeeper Inactive 8940 1IJR ILE 71 T -7.458 9.359 -9.51 -3.696 4 460 4512 1198 535 Gatekeeper Inactive 8941 1IJR SER 72 T -5.606 7.908 -7.905 -3.707 2 394 4312 1140 472 Gatekeeper Inactive 8942 1IJR PRO 73 T -5.591 8.014 -7.928 -3.718 2 390 4346 1114 481 Gatekeeper Inactive 8943 1IJR ARG 74 T -5.588 8.036 -7.94 -3.72 2 383 4187 1096 558 Gatekeeper Inactive 8944 1IJR ILE 75 T -5.567 8.19 -7.96 -3.742 2 452 4165 1091 705 Gatekeeper Inactive 8945 1IJR THR 76 E -5.526 8.867 -7.759 -3.816 2 442 3947 1084 855 Gatekeeper Inactive 8946 1IJR PHE 77 E -6.579 14.08 -7.459 -4.368 4 440 3828 1084 1019 Gatekeeper Inactive 8947 1IJR PRO 78 C -6.476 13.045 -8.034 -4.446 4 428 3556 1099 1217 Gatekeeper Inactive 8948 1IJR GLY 79 C -6.487 13.066 -8.004 -4.455 4 412 3012 1127 1447 Gatekeeper Inactive 8949 1IJR LEU 80 H -6.595 13.164 -7.876 -4.476 4 441 2253 1159 1718 Gatekeeper Inactive 8950 1IJR HIS 81 H -7.187 9.915 -10.151 -4.557 4 544 1626 1208 2029 Gatekeeper Inactive 8951 1IJR GLU 82 H -7.243 9.554 -10.208 -4.571 4 499 1013 1261 2391 Inactive Inactive 8952 1IJR LEU 83 H -9.471 13.234 -11.836 -4.991 7 550 891 1315 2679 Inactive Gatekeeper 8953 1IJR VAL 84 H -11.191 14.909 -13.121 -4.61 7 588 814 1348 2862 Inactive Gatekeeper 8954 1IJR ARG 85 H -11.856 12.582 -14.727 -4.359 7 675 749 1365 2966 Permissive Gatekeeper 8955 1IJR HIS 86 H -11.762 12.513 -15.424 -5.004 8 693 626 1404 3063 Permissive Gatekeeper 8956 1IJR TYR 87 H -11.48 12.033 -15.45 -5.046 8 682 597 1422 3104 Permissive Gatekeeper 8957 1IJR THR 88 H -9.42 6.572 -14.791 -4.705 6 617 417 1435 3032 Inactive Gatekeeper 8958 1IJR ASN 89 H -6.801 5.104 -12.243 -4.766 3 606 395 1442 2921 Inactive Gatekeeper 8959 1IJR ALA 90 C -6.62 5.941 -11.926 -4.718 3 592 354 1460 2783 Inactive Gatekeeper 8960 1IJR SER 91 T -6.552 6.198 -11.963 -4.761 3 550 292 1455 2601 Inactive Inactive 8961 1IJR ASP 92 T -6.508 6.437 -12 -4.819 3 - - - - - - 8962 1IJR GLY 93 T -6.492 6.592 -11.982 -4.84 3 - - - - - - 8963 1IJR LEU 94 T -7.013 8.724 -11.659 -4.943 3 - - - - - - 8964 1IJR CYS 95 T -7.439 9.204 -12.31 -5.32 5 - - - - - - 8965 1IJR THR 96 T -7.83 10.028 -12.348 -5.515 5 - - - - - - 8966 1IJR ARG 97 T -8.484 11.002 -12.076 -5.392 5 - - - - - - 8967 1IJR LEU 98 C -11.027 14.498 -13.831 -5.188 7 - - - - - - 8968 1IJR SER 99 C -10.852 10.925 -15.888 -5.556 8 - - - - - - 8969 1IJR ARG 100 C -9.571 8.58 -14.298 -4.889 6 - - - - - - 8970 1IJR PRO 101 B -6.03 8.141 -8.359 -3.829 2 - - - - - - 8971 1IJR CYS 102 C -6.03 8.141 -8.359 -3.829 2 - - - - - - 8972 1IJR GLN 103 C -6.03 8.141 -8.359 -3.829 2 - - - - - - 8973 1IJR THR 104 C -6.03 8.141 -8.359 -3.829 2 - - - - - - 8974 1IJT GLY 79 C -3.161 3.836 -7.424 -3.822 1 - - - - - - 8975 1IJT ILE 80 C -3.161 3.836 -7.424 -3.822 1 - - - - - - 8976 1IJT LYS 81 C -3.161 3.836 -7.424 -3.822 1 - - - - - - 8977 1IJT ARG 82 E -3.161 3.836 -7.424 -3.822 1 - - - - - - 8978 1IJT LEU 83 E -3.746 5.543 -7.435 -4.334 2 - - - - - - 8979 1IJT ARG 84 E -6.869 8.787 -10.727 -5.094 3 - - - - - - 8980 1IJT ARG 85 E -11.376 12.591 -16.35 -6.467 8 - - - - - - 8981 1IJT LEU 86 E -12.138 15.615 -13.97 -5.019 8 - - - - - - 8982 1IJT TYR 87 E -9.376 11.351 -12.528 -5.029 7 - - - - - - 8983 1IJT CYS 88 E -6.402 7.83 -9.756 -4.409 4 - - - - - - 8984 1IJT ASN 89 T -4.34 7.197 -7.435 -4.353 2 - - - - - - 8985 1IJT VAL 90 T -4.334 7.232 -7.447 -4.352 2 - - - - - - 8986 1IJT GLY 91 T -4.334 7.233 -7.448 -4.352 2 809 2563 1334 1131 Selective Selective 8987 1IJT ILE 92 T -4.334 7.232 -7.447 -4.352 2 686 2510 1318 994 Selective Selective 8988 1IJT GLY 93 T -4.353 7.214 -7.375 -4.35 2 598 2588 1294 896 Selective Selective 8989 1IJT PHE 94 E -7.098 11.04 -8.793 -4.229 4 504 2996 1271 823 Gatekeeper Selective 8990 1IJT HIS 95 E -9.374 11.771 -12.182 -4.91 7 487 3183 1254 749 Gatekeeper Permissive 8991 1IJT LEU 96 E -12.12 16.087 -14.044 -4.899 7 497 3426 1226 655 Gatekeeper Permissive 8992 1IJT GLN 97 E -10.341 10.727 -14.283 -5.027 6 493 3745 1169 532 Gatekeeper Inactive 8993 1IJT ALA 98 E -7.479 8.614 -10.848 -4.494 5 528 4237 1113 406 Selective Inactive 8994 1IJT LEU 99 T -6.123 6.734 -9.617 -3.959 2 553 4643 1061 361 Selective Inactive 8995 1IJT PRO 100 T -5.428 8.151 -8.129 -3.84 2 580 4988 1024 350 Selective Inactive 8996 1IJT ASP 101 T -5.357 8.15 -8.31 -3.89 2 581 4852 997 342 Selective Inactive 8997 1IJT GLY 102 T -5.345 8.162 -8.36 -3.901 2 582 4816 965 327 Selective Inactive 8998 1IJT ARG 103 C -5.36 8.155 -8.301 -3.886 2 540 4427 938 320 Selective Inactive 8999 1IJT ILE 104 E -5.528 8.695 -7.918 -3.882 2 567 4245 947 338 Selective Inactive 9000 1IJT GLY 105 E -6.491 8.181 -10.14 -4.317 4 596 4132 978 416 Selective Inactive 9001 1IJT GLY 106 E -6.895 7.659 -11.468 -4.512 3 600 3942 994 463 Selective Inactive 9002 1IJT ALA 107 E -6.911 7.028 -11.839 -4.53 3 446 3310 1020 474 Gatekeeper Inactive 9003 1IJT HIS 108 C -6.359 6.416 -11.022 -4.257 3 388 2810 1042 495 Gatekeeper Inactive 9004 1IJT ALA 109 C -6.32 6.4 -11.092 -4.253 3 363 2374 1089 521 Gatekeeper Inactive 9005 1IJT ASP 110 C -6.35 6.389 -11.033 -4.246 3 325 1868 1154 562 Gatekeeper Inactive 9006 1IJT THR 111 C -6.491 6.201 -10.922 -4.156 3 278 1265 1221 601 Inactive Permissive 9007 1IJT ARG 112 G -6.569 6.181 -10.723 -4.106 2 255 812 1288 606 Inactive Permissive 9008 1IJT ASP 113 G -7.85 6.685 -12.309 -4.281 5 229 391 1361 621 Inactive Permissive 9009 1IJT SER 114 G -9.233 8.485 -13.828 -4.731 5 218 293 1433 660 Inactive Permissive 9010 1IJT LEU 115 C -10.296 10.419 -13.699 -4.517 7 213 206 1508 715 Inactive Permissive 9011 1IJT LEU 116 E -11.752 14.299 -14.185 -4.665 7 202 190 1574 783 Inactive Permissive 9012 1IJT GLU 117 E -9.504 13.041 -11.595 -4.833 7 178 193 1608 823 Inactive Selective 9013 1IJT LEU 118 E -8.702 11.798 -11.547 -4.713 5 149 238 1638 796 Inactive Permissive 9014 1IJT SER 119 E -5.418 6.719 -8.052 -3.623 2 148 356 1690 815 Inactive Permissive 9015 1IJT PRO 120 E -3.031 5.224 -5.531 -3.395 1 161 571 1715 868 Inactive Selective 9016 1IJT VAL 121 E -2.604 5.885 -5.206 -3.434 1 160 584 1730 909 Inactive Selective 9017 1IJT GLU 122 E -2.597 5.913 -5.227 -3.435 1 153 595 1744 945 Inactive Selective 9018 1IJT ARG 123 T -2.597 5.913 -5.228 -3.435 1 162 632 1733 985 Inactive Selective 9019 1IJT GLY 124 T -2.602 5.905 -5.202 -3.433 1 261 941 1690 1029 Inactive Selective 9020 1IJT VAL 125 E -2.992 6.489 -4.882 -3.431 1 414 1148 1639 1101 Inactive Selective 9021 1IJT VAL 126 E -5.226 8.105 -6.881 -3.442 2 512 1266 1584 1166 Permissive Selective 9022 1IJT SER 127 E -7.546 9.504 -9.509 -3.72 4 615 1323 1526 1235 Permissive Selective 9023 1IJT ILE 128 E -9.555 14.72 -11.417 -4.717 7 743 1395 1471 1305 Selective Selective 9024 1IJT PHE 129 E -9.608 13.579 -11.4 -4.336 7 846 1425 1404 1312 Selective Selective 9025 1IJT GLY 130 E -7.139 8.056 -9.92 -3.85 4 1077 1427 1336 1309 Selective Selective 9026 1IJT VAL 131 T -7.133 8.108 -9.927 -3.849 4 1383 1482 1271 1301 Selective Selective 9027 1IJT ALA 132 T -7.133 8.105 -9.926 -3.848 4 1736 1471 1187 1249 Selective Selective 9028 1IJT SER 133 T -7.139 8.043 -9.92 -3.845 4 2013 1346 1125 1180 Permissive Gatekeeper 9029 1IJT ARG 134 T -7.141 8.027 -9.906 -3.841 4 2273 1557 1081 1124 Selective Gatekeeper 9030 1IJT PHE 135 E -9.772 12.852 -10.646 -3.758 7 2439 1638 1048 1077 Selective Gatekeeper 9031 1IJT PHE 136 E -12.401 16.642 -13.27 -4.257 7 2455 1605 1002 1002 Selective Gatekeeper 9032 1IJT VAL 137 E -11.784 14.214 -13.888 -4.631 7 2366 1332 968 914 Permissive Gatekeeper 9033 1IJT ALA 138 E -9.95 9.942 -13.732 -4.715 6 2206 1138 932 817 Permissive Inactive 9034 1IJT MET 139 E -9.007 8.631 -13.899 -5.049 6 2120 1126 906 712 Permissive Inactive 9035 1IJT SER 140 T -8.191 6.798 -13.808 -4.944 3 2016 1167 872 593 Permissive Inactive 9036 1IJT SER 141 T -7.934 7.679 -13.426 -5.025 5 1879 1106 824 457 Permissive Inactive 9037 1IJT LYS 142 T -7.931 7.696 -13.437 -5.029 5 1780 1073 798 382 Permissive Inactive 9038 1IJT GLY 143 T -7.923 7.823 -13.422 -5.06 5 1542 1092 788 325 Permissive Inactive 9039 1IJT LYS 144 C -8.002 7.771 -13.351 -5.051 5 1238 984 755 300 Permissive Inactive 9040 1IJT LEU 145 E -8.461 9.711 -12.847 -5.218 6 871 973 755 317 Permissive Inactive 9041 1IJT TYR 146 E -9.19 11.35 -13.178 -5.089 6 569 944 754 349 Permissive Inactive 9042 1IJT GLY 147 E -6.943 11.932 -8.621 -4.626 4 336 826 737 382 Inactive Inactive 9043 1IJT SER 148 E -6.729 11.463 -8.974 -4.595 4 179 750 709 414 Inactive Inactive 9044 1IJT PRO 149 T -6.498 10.726 -9.421 -4.625 4 188 792 699 451 Inactive Inactive 9045 1IJT PHE 150 T -6.498 10.724 -9.423 -4.626 4 292 856 692 476 Inactive Inactive 9046 1IJT PHE 151 T -6.501 10.725 -9.409 -4.626 4 330 871 723 503 Inactive Inactive 9047 1IJT THR 152 T -6.87 9.667 -10.18 -4.635 4 376 805 745 531 Inactive Inactive 9048 1IJT ASP 153 T -7.166 9.182 -10.393 -4.695 4 443 823 784 569 Inactive Inactive 9049 1IJT GLU 154 T -10.319 10.034 -16.248 -5.788 6 455 869 849 609 Inactive Inactive 9050 1IJT CYS 155 T -10.616 10.085 -16.413 -5.845 6 459 979 898 635 Inactive Inactive 9051 1IJT THR 156 E -11.02 9.929 -16.573 -5.77 6 447 989 968 684 Inactive Inactive 9052 1IJT PHE 157 E -11.405 15.386 -13.333 -4.942 7 448 1113 1037 759 Inactive Inactive 9053 1IJT LYS 158 E -9.06 12.383 -11.076 -4.597 7 452 1046 1073 856 Inactive Gatekeeper 9054 1IJT GLU 159 E -7.656 9.443 -10.206 -3.997 4 462 1035 1102 957 Inactive Gatekeeper 9055 1IJT ILE 160 E -5.461 7.386 -7.764 -3.563 2 468 1123 1143 1128 Inactive Gatekeeper 9056 1IJT LEU 161 E -4.419 6.408 -7.619 -3.877 2 469 1170 1199 1340 Inactive Selective 9057 1IJT LEU 162 T -4.405 6.514 -7.641 -3.893 2 468 1268 1286 1603 Inactive Selective 9058 1IJT PRO 163 T -4.404 6.524 -7.649 -3.896 2 358 1351 1383 1915 Inactive Selective 9059 1IJT ASN 164 T -4.406 6.514 -7.64 -3.896 2 338 1456 1463 2271 Gatekeeper Selective 9060 1IJT ASN 165 T -4.512 6.351 -7.626 -3.963 2 273 1447 1558 2668 Gatekeeper Selective 9061 1IJT TYR 166 T -6.558 10.876 -8.825 -4.602 4 199 1367 1648 3139 Inactive Selective 9062 1IJT ASN 167 E -7.867 10.651 -11.014 -5.072 4 188 1320 1713 3631 Inactive Selective 9063 1IJT ALA 168 E -10.818 13.235 -13.932 -5.359 8 179 1237 1774 4124 Inactive Selective 9064 1IJT TYR 169 E -14.724 19.246 -18.506 -6.683 8 197 1260 1795 4446 Inactive Selective 9065 1IJT GLU 170 E -14.454 17.2 -18.566 -6.542 8 193 1166 1806 4650 Inactive Selective 9066 1IJT SER 171 E -11.847 14.245 -15.505 -5.936 8 192 1186 1818 4738 Inactive Selective 9067 1IJT TYR 172 T -10.583 12.528 -14.816 -5.876 8 197 1300 1816 4714 Inactive Selective 9068 1IJT LYS 173 T -10.087 11.321 -15.058 -5.787 6 209 1514 1803 4585 Gatekeeper Selective 9069 1IJT TYR 174 T -10.068 11.441 -15.043 -5.777 6 282 1988 1796 4422 Gatekeeper Selective 9070 1IJT PRO 175 T -9.954 12.087 -14.543 -5.591 6 458 2438 1767 4214 Gatekeeper Selective 9071 1IJT GLY 176 T -9.948 12.248 -14.393 -5.54 6 702 2527 1738 3939 Selective Selective 9072 1IJT MET 177 T -10.157 12.296 -14.228 -5.392 6 1207 2742 1710 3614 Selective Selective 9073 1IJT PHE 178 B -10.447 17.245 -11.204 -4.643 7 1719 3347 1646 3258 Selective Selective 9074 1IJT ILE 179 C -8.68 14.08 -9.109 -4.062 4 2190 3912 1555 2793 Selective Selective 9075 1IJT ALA 180 C -7.289 10.228 -9.685 -4.27 4 2630 4362 1475 2301 Selective Selective 9076 1IJT LEU 181 B -5.961 8.416 -9.337 -4.555 4 2968 4722 1387 1821 Selective Selective 9077 1IJT GLY 182 T -5.175 5.937 -10.185 -4.821 3 3415 5097 1300 1467 Selective Selective 9078 1IJT LYS 183 T -5.048 6.163 -10.239 -4.869 3 3727 5531 1227 1198 Selective Selective 9079 1IJT ASN 184 T -5.044 6.17 -10.258 -4.875 3 3983 5958 1174 1003 Selective Gatekeeper 9080 1IJT GLY 185 T -5.057 6.094 -10.269 -4.887 3 4083 6001 1119 892 Selective Gatekeeper 9081 1IJT LYS 186 C -5.184 5.588 -10.504 -4.959 3 4079 5650 1086 804 Selective Inactive 9082 1IJT THR 187 B -5.995 7.197 -10.545 -5.085 3 4012 5172 1014 706 Selective Inactive 9083 1IJT LYS 188 C -7.719 9.559 -12.452 -5.419 5 3819 4649 945 604 Selective Inactive 9084 1IJT LYS 189 T -7.3 9.413 -11.03 -4.852 3 3574 4409 875 548 Selective Inactive 9085 1IJT GLY 190 T -7.056 8.954 -11.158 -4.744 3 3068 4106 802 496 Selective Inactive 9086 1IJT ASN 191 T -7.025 8.981 -11.142 -4.698 5 2576 3483 752 439 Selective Inactive 9087 1IJT ARG 192 T -6.667 8.862 -10.174 -4.162 4 2123 2909 725 419 Selective Inactive 9088 1IJT VAL 193 T -6.499 8.727 -9.928 -3.999 4 1704 2500 684 407 Selective Inactive 9089 1IJT SER 194 T -6.525 8.396 -9.989 -3.89 4 - - - - - - 9090 1IJT PRO 195 T -6.464 8.575 -9.87 -3.913 4 - - - - - - 9091 1IJT THR 196 T -6.459 8.569 -9.911 -3.936 4 - - - - - - 9092 1IJT MET 197 T -6.687 8.492 -10.326 -4.129 4 - - - - - - 9093 1IJT LYS 198 G -6.976 8.473 -10.819 -4.399 5 - - - - - - 9094 1IJT VAL 199 G -7.269 9.057 -10.537 -4.425 4 - - - - - - 9095 1IJT THR 200 G -8.484 9.309 -12.286 -4.829 5 - - - - - - 9096 1IJT HIS 201 E -10.644 11.964 -14.112 -5.125 6 - - - - - - 9097 1IJT PHE 202 E -11.618 17.445 -11.974 -4.634 7 - - - - - - 9098 1IJT LEU 203 E -8.023 10.737 -9.004 -3.408 4 - - - - - - 9099 1IJT PRO 204 E -8.023 10.737 -9.004 -3.408 4 - - - - - - 9100 1IJT ARG 205 E -8.023 10.737 -9.004 -3.408 4 - - - - - - 9101 1IJT LEU 206 C -8.023 10.737 -9.004 -3.408 4 - - - - - - 9102 1IKT LEU 6 C -9.565 9.46 -13.223 -4.436 5 - - - - - - 9103 1IKT GLN 7 H -9.565 9.46 -13.223 -4.436 5 - - - - - - 9104 1IKT SER 8 H -9.565 9.46 -13.223 -4.436 5 - - - - - - 9105 1IKT THR 9 H -9.565 9.46 -13.223 -4.436 5 - - - - - - 9106 1IKT PHE 10 H -10.816 10.632 -14.908 -4.952 6 - - - - - - 9107 1IKT VAL 11 H -11.588 13.773 -14.646 -5.071 8 - - - - - - 9108 1IKT PHE 12 H -11.832 14.971 -14.278 -4.943 8 - - - - - - 9109 1IKT GLU 13 H -10.451 9.779 -13.788 -4.342 5 - - - - - - 9110 1IKT GLU 14 H -10.276 9.469 -13.862 -4.166 5 - - - - - - 9111 1IKT ILE 15 H -10.275 9.46 -13.847 -4.148 5 - - - - - - 9112 1IKT GLY 16 H -10.261 9.233 -13.969 -4.128 5 - - - - - - 9113 1IKT ARG 17 H -10.21 9.069 -14.03 -4.068 5 - - - - - - 9114 1IKT ARG 18 H -9.983 9.219 -12.786 -3.532 5 205 455 645 131 Inactive Inactive 9115 1IKT LEU 19 H -8.348 9.931 -10.135 -3.765 4 195 512 680 162 Inactive Inactive 9116 1IKT LYS 20 H -6.869 7.567 -9.93 -3.958 4 177 682 695 177 Inactive Inactive 9117 1IKT ASP 21 H -6.547 7.646 -9.982 -4.021 2 182 879 698 189 Inactive Inactive 9118 1IKT ILE 22 H -6.497 7.861 -9.898 -3.981 2 251 1116 719 208 Inactive Inactive 9119 1IKT GLY 23 H -6.494 7.867 -9.901 -3.978 2 281 1244 738 241 Inactive Inactive 9120 1IKT PRO 24 H -6.505 7.792 -9.904 -3.962 2 370 1337 762 315 Gatekeeper Inactive 9121 1IKT GLU 25 H -6.907 8.23 -9.916 -3.949 4 449 1227 817 409 Inactive Inactive 9122 1IKT VAL 26 H -7.598 10.169 -9.367 -3.419 4 585 1211 872 503 Inactive Inactive 9123 1IKT VAL 27 H -7.881 9.579 -10.141 -3.378 4 658 1178 919 609 Inactive Inactive 9124 1IKT LYS 28 H -7.86 9.492 -10.252 -3.428 4 726 1093 977 738 Inactive Inactive 9125 1IKT LYS 29 H -8.012 9.807 -10.287 -3.573 4 837 1025 1031 876 Inactive Inactive 9126 1IKT VAL 30 H -8.041 9.849 -10.165 -3.555 4 1074 1110 1083 1020 Permissive Inactive 9127 1IKT ASN 31 C -8.541 8.246 -11.508 -3.709 5 1444 1444 1135 1165 Selective Gatekeeper 9128 1IKT ALA 32 E -9.223 8.658 -11.961 -3.846 5 1772 1715 1194 1344 Selective Gatekeeper 9129 1IKT VAL 33 E -11.146 11.629 -13.303 -3.936 7 2311 2338 1262 1576 Selective Gatekeeper 9130 1IKT PHE 34 E -12.173 14.808 -12.984 -4.011 7 2866 2969 1321 1754 Selective Selective 9131 1IKT GLU 35 E -13.555 17.827 -15.821 -5.469 8 3158 3127 1365 1902 Selective Selective 9132 1IKT TRP 36 E -10.569 19.065 -14.892 -9.065 8 3424 3503 1428 2008 Selective Selective 9133 1IKT HIS 37 E -7.641 13.995 -12.422 -7.757 7 3449 3636 1518 2023 Selective Selective 9134 1IKT ILE 38 E -4.594 7.914 -7.184 -4.413 2 3559 4086 1595 2048 Selective Selective 9135 1IKT THR 39 E -2.77 3.769 -6.707 -4.189 1 3536 4402 1662 2049 Selective Selective 9136 1IKT LYS 40 T -1.415 4.69 -4.998 -4.353 1 3598 4694 1703 2017 Selective Selective 9137 1IKT GLY 41 T -0.985 4.638 -5.58 -4.74 1 3589 4890 1735 1989 Selective Selective 9138 1IKT GLY 42 T -0.984 4.644 -5.589 -4.742 1 3477 4903 1776 1960 Selective Selective 9139 1IKT ASN 43 T -0.986 4.632 -5.581 -4.739 1 3191 4767 1795 1915 Selective Selective 9140 1IKT ILE 44 E -1.025 4.609 -5.39 -4.679 1 2820 4408 1808 1853 Selective Selective 9141 1IKT GLY 45 E -1.482 3.756 -5.228 -4.31 1 2559 4187 1808 1744 Selective Selective 9142 1IKT ALA 46 E -4.644 6.273 -7.921 -4.064 2 2088 3423 1803 1591 Selective Selective 9143 1IKT LYS 47 E -5.705 10.818 -9.14 -5.75 4 1567 2629 1805 1497 Selective Selective 9144 1IKT TRP 48 E -8.793 15.253 -12.052 -6.511 7 1282 2373 1823 1424 Selective Selective 9145 1IKT THR 49 E -9.961 15.817 -12.682 -6.262 7 1029 1906 1812 1336 Selective Selective 9146 1IKT ILE 50 E -11.35 13.964 -12.996 -4.211 7 939 1706 1739 1274 Selective Selective 9147 1IKT ASP 51 E -9.158 8.891 -12.335 -4.176 5 797 1495 1646 1179 Gatekeeper Selective 9148 1IKT LEU 52 E -8.82 8.384 -12.328 -3.994 5 729 1548 1559 1133 Gatekeeper Permissive 9149 1IKT LYS 53 C -7.095 5.157 -11.259 -3.956 3 687 1667 1506 1136 Gatekeeper Selective 9150 1IKT SER 54 T -6.727 5.299 -11.21 -3.989 3 786 2181 1464 1119 Gatekeeper Permissive 9151 1IKT GLY 55 T -6.622 5.844 -11.151 -4.064 3 955 2918 1409 1079 Selective Permissive 9152 1IKT SER 56 T -6.63 5.805 -11.135 -4.063 3 1066 3611 1367 1032 Selective Permissive 9153 1IKT GLY 57 T -6.634 5.801 -11.126 -4.068 3 1151 4355 1308 974 Selective Permissive 9154 1IKT LYS 58 E -6.966 6.488 -11.08 -4.16 3 1185 4897 1253 912 Selective Inactive 9155 1IKT VAL 59 E -7.487 9.579 -10.544 -4.392 4 1275 5584 1226 843 Selective Inactive 9156 1IKT TYR 60 E -7.96 11.344 -10.281 -4.352 4 1413 6270 1219 770 Selective Inactive 9157 1IKT GLN 61 E -6.705 7.026 -10.456 -4.196 3 1779 7000 1191 711 Selective Inactive 9158 1IKT GLY 62 C -5.55 4.561 -9.628 -3.835 2 2432 7979 1210 698 Selective Inactive 9159 1IKT PRO 63 C -4.815 4.072 -8.579 -3.421 2 2787 8600 1280 760 Selective Inactive 9160 1IKT ALA 64 T -4.302 4.373 -7.889 -3.361 1 2912 8599 1367 863 Selective Permissive 9161 1IKT LYS 65 T -4.217 4.472 -8.062 -3.449 1 3016 8311 1443 994 Selective Permissive 9162 1IKT GLY 66 T -4.207 4.515 -8.073 -3.457 1 3136 7995 1484 1149 Selective Selective 9163 1IKT ALA 67 T -4.26 4.577 -7.939 -3.428 1 3028 7303 1501 1363 Selective Selective 9164 1IKT ALA 68 T -4.453 4.848 -7.853 -3.494 1 2906 6551 1519 1585 Selective Selective 9165 1IKT ASP 69 T -5.271 5.573 -9.234 -4.017 2 2851 5845 1532 1793 Selective Selective 9166 1IKT THR 70 E -6.207 7.269 -9.424 -4.03 2 2819 5086 1545 2028 Selective Selective 9167 1IKT THR 71 E -7.339 9.848 -8.958 -3.872 4 2781 4434 1560 2285 Selective Selective 9168 1IKT ILE 72 E -9.29 13.999 -10.108 -4.199 4 2733 3726 1555 2583 Selective Selective 9169 1IKT ILE 73 E -10.29 16.663 -10.996 -4.59 7 2577 3011 1553 2915 Selective Selective 9170 1IKT LEU 74 E -10.516 17.226 -10.8 -4.616 7 2148 2143 1552 3248 Selective Selective 9171 1IKT SER 75 E -11.187 15.79 -12.248 -4.536 7 1491 1121 1538 3518 Permissive Selective 9172 1IKT ASP 76 H -12.09 13.14 -14.983 -4.505 7 1149 476 1515 3660 Permissive Selective 9173 1IKT GLU 77 H -12.452 11.643 -16.786 -4.933 8 1022 297 1478 3752 Permissive Selective 9174 1IKT ASP 78 H -12.943 11.648 -18.443 -5.586 8 885 241 1459 3708 Permissive Selective 9175 1IKT PHE 79 H -12.329 16.267 -16.003 -6.296 8 714 211 1457 3562 Inactive Selective 9176 1IKT MET 80 H -10.245 10.83 -13.354 -4.572 7 665 209 1462 3299 Inactive Selective 9177 1IKT GLU 81 H -7.064 7.732 -10.037 -4.063 4 635 242 1444 3021 Inactive Selective 9178 1IKT VAL 82 H -3.544 5.568 -4.959 -2.922 1 739 545 1417 2750 Inactive Selective 9179 1IKT VAL 83 H -3.468 5.724 -5.126 -2.973 1 749 680 1394 2464 Inactive Selective 9180 1IKT LEU 84 H -3.435 5.823 -5.255 -3.031 1 720 709 1347 2170 Inactive Selective 9181 1IKT GLY 85 T -3.432 5.845 -5.272 -3.038 1 646 762 1289 1844 Inactive Gatekeeper 9182 1IKT LYS 86 T -3.433 5.841 -5.261 -3.036 1 629 764 1207 1483 Inactive Gatekeeper 9183 1IKT LEU 87 T -4.473 7.136 -6.74 -3.579 2 609 766 1127 1105 Inactive Inactive 9184 1IKT ASP 88 T -5.111 7.74 -7.565 -4.065 2 570 771 1022 777 Inactive Inactive 9185 1IKT PRO 89 H -6.56 10.114 -8.619 -4.441 4 553 773 910 532 Inactive Inactive 9186 1IKT GLN 90 H -9.773 9.937 -13.557 -4.489 5 521 717 818 309 Inactive Inactive 9187 1IKT LYS 91 H -8.928 10.562 -11.292 -4.005 4 518 711 728 171 Inactive Inactive 9188 1IKT ALA 92 H -8.343 9.516 -10.86 -3.794 5 499 681 636 84 Inactive Inactive 9189 1IKT PHE 93 H -8.352 9.475 -10.839 -3.773 5 516 712 556 46 Inactive Inactive 9190 1IKT PHE 94 H -8.302 9.428 -10.976 -3.784 5 495 681 514 25 Inactive Inactive 9191 1IKT SER 95 H -8.265 9.338 -11.132 -3.804 5 331 378 481 20 Inactive Inactive 9192 1IKT GLY 96 T -8.375 9.009 -11.352 -3.814 5 257 243 458 21 Inactive Inactive 9193 1IKT ARG 97 T -9.043 9.223 -12.763 -4.072 5 217 214 477 29 Inactive Inactive 9194 1IKT LEU 98 T -7.041 10.189 -7.583 -3.265 4 176 150 528 76 Inactive Inactive 9195 1IKT LYS 99 E -6.144 7.809 -8.283 -3.485 2 161 143 582 144 Inactive Inactive 9196 1IKT ALA 100 E -5.429 7.717 -7.871 -3.615 2 154 139 645 243 Inactive Inactive 9197 1IKT ARG 101 E -5.232 7.075 -8.339 -3.679 2 138 134 729 342 Inactive Inactive 9198 1IKT GLY 102 E -5.142 6.969 -8.472 -3.701 2 148 132 831 471 Inactive Inactive 9199 1IKT ASN 103 T -5.164 6.839 -8.521 -3.72 2 143 128 939 622 Inactive Inactive 9200 1IKT ILE 104 H -5.26 6.785 -8.525 -3.751 2 144 97 1035 784 Inactive Inactive 9201 1IKT MET 105 H -5.705 5.785 -9.448 -3.839 2 122 62 1136 953 Inactive Inactive 9202 1IKT LEU 106 H -6.292 6.349 -9.307 -3.835 2 98 15 1220 1133 Inactive Inactive 9203 1IKT SER 107 H -8.876 8.176 -11.751 -3.86 5 96 7 1283 1319 Inactive Gatekeeper 9204 1IKT GLN 108 H -10.991 9.543 -14.824 -4.472 6 - - - - - - 9205 1IKT LYS 109 H -12.253 10.269 -17.372 -5.355 8 - - - - - - 9206 1IKT LEU 110 H -13.069 13.344 -16.536 -4.908 8 - - - - - - 9207 1IKT GLN 111 H -12.437 11.007 -16.773 -4.791 8 - - - - - - 9208 1IKT MET 112 H -10.852 10.195 -14.308 -4.421 6 - - - - - - 9209 1IKT ILE 113 H -10.677 11.451 -14.443 -4.97 6 - - - - - - 9210 1IKT LEU 114 H -10.204 11.889 -14.334 -5.447 6 - - - - - - 9211 1IKT LYS 115 H -9.164 9.652 -13.867 -5.38 6 - - - - - - 9212 1IKT ASP 116 H -7.413 8.791 -10.438 -4.338 4 - - - - - - 9213 1IKT TYR 117 H -6.284 8.102 -7.783 -3.127 2 - - - - - - 9214 1IKT ALA 118 C -6.284 8.102 -7.783 -3.127 2 - - - - - - 9215 1IKT LYS 119 C -6.284 8.102 -7.783 -3.127 2 - - - - - - 9216 1IKT LEU 120 C -6.284 8.102 -7.783 -3.127 2 - - - - - - 9217 1IMJ ALA 2 C -4.788 4.517 -8.055 -3.183 1 - - - - - - 9218 1IMJ ALA 3 C -4.788 4.517 -8.055 -3.183 1 - - - - - - 9219 1IMJ SER 4 C -4.788 4.517 -8.055 -3.183 1 - - - - - - 9220 1IMJ VAL 5 E -4.788 4.517 -8.055 -3.183 1 - - - - - - 9221 1IMJ GLU 6 E -6.413 6.146 -10.605 -4.315 3 - - - - - - 9222 1IMJ GLN 7 E -8.624 7.653 -14.583 -5.36 6 - - - - - - 9223 1IMJ ARG 8 C -7.897 9.234 -12.034 -4.827 5 - - - - - - 9224 1IMJ GLU 9 C -6.882 9.183 -10.285 -4.539 4 - - - - - - 9225 1IMJ GLY 10 C -6.775 9.421 -10.162 -4.442 4 - - - - - - 9226 1IMJ THR 11 C -6.776 9.452 -10.127 -4.432 4 - - - - - - 9227 1IMJ ILE 12 E -6.739 9.61 -10.071 -4.421 4 - - - - - - 9228 1IMJ GLN 13 E -6.766 9.485 -10.129 -4.428 4 - - - - - - 9229 1IMJ VAL 14 E -7.319 9.894 -10.907 -4.42 4 807 805 867 510 Inactive Inactive 9230 1IMJ GLN 15 T -7.633 9.383 -11.896 -4.754 5 1093 1455 849 559 Inactive Inactive 9231 1IMJ GLY 16 T -7.648 9.319 -11.899 -4.767 5 1367 2128 840 633 Permissive Inactive 9232 1IMJ GLN 17 E -7.971 8.365 -12.72 -4.913 5 1908 3190 859 726 Permissive Inactive 9233 1IMJ ALA 18 E -8.348 8.778 -12.45 -4.875 5 2456 4313 921 875 Selective Inactive 9234 1IMJ LEU 19 E -10.598 10.184 -15.237 -5.291 6 3052 5549 1006 1073 Selective Inactive 9235 1IMJ PHE 20 E -12.827 13.611 -16.227 -5.313 8 3435 6587 1095 1273 Selective Inactive 9236 1IMJ PHE 21 E -16.076 20.05 -17.971 -5.576 8 3623 7307 1168 1374 Selective Inactive 9237 1IMJ ARG 22 E -16.064 17.437 -19.854 -5.891 8 3568 7607 1231 1449 Selective Selective 9238 1IMJ GLU 23 E -11.457 13.316 -13.703 -4.652 7 3529 7920 1289 1469 Selective Selective 9239 1IMJ ALA 24 E -9.676 11.404 -11.581 -3.899 4 3596 8536 1335 1462 Selective Selective 9240 1IMJ LEU 25 E -6.488 8.186 -9.344 -4.136 4 3740 9138 1391 1467 Selective Selective 9241 1IMJ PRO 26 T -4.298 4.978 -8.089 -3.971 2 4049 9816 1458 1493 Selective Selective 9242 1IMJ GLY 27 T -3.09 4.873 -6.998 -4.111 1 4151 9857 1517 1538 Selective Selective 9243 1IMJ SER 28 T -3.089 4.874 -7.002 -4.111 2 3958 9342 1570 1561 Selective Selective 9244 1IMJ GLY 29 T -3.089 4.874 -7.003 -4.111 2 3759 8801 1620 1570 Selective Selective 9245 1IMJ GLN 30 C -3.091 4.863 -6.995 -4.11 1 3261 7774 1631 1568 Selective Selective 9246 1IMJ ALA 31 C -3.172 4.851 -6.829 -4.126 1 2791 6748 1594 1511 Selective Selective 9247 1IMJ ARG 32 C -7.154 5.715 -11.539 -4.097 3 2248 5590 1548 1396 Selective Permissive 9248 1IMJ PHE 33 E -9.287 9.865 -12.646 -4.498 5 1918 4593 1479 1299 Selective Permissive 9249 1IMJ SER 34 E -11.221 13.254 -14.111 -4.586 7 1754 3875 1420 1369 Permissive Permissive 9250 1IMJ VAL 35 E -11.665 16.016 -12.99 -4.417 7 1744 3495 1359 1499 Permissive Selective 9251 1IMJ LEU 36 E -11.622 18.234 -12.125 -4.736 7 1672 3023 1300 1677 Permissive Selective 9252 1IMJ LEU 37 E -10.514 17.146 -11.076 -4.784 7 1506 2334 1247 1846 Permissive Selective 9253 1IMJ LEU 38 C -9.11 14.718 -10.012 -4.498 7 1285 1680 1191 1954 Permissive Gatekeeper 9254 1IMJ HIS 39 C -8.156 13.303 -9.683 -4.502 4 871 892 1136 2059 Inactive Gatekeeper 9255 1IMJ GLY 40 T -7.316 11.638 -9.541 -4.48 4 601 611 1095 2164 Inactive Gatekeeper 9256 1IMJ ILE 41 T -7.305 11.651 -9.582 -4.482 4 508 473 1094 2313 Inactive Gatekeeper 9257 1IMJ ARG 42 T -7.307 11.631 -9.578 -4.481 4 438 347 1096 2516 Inactive Gatekeeper 9258 1IMJ PHE 43 T -7.333 11.503 -9.565 -4.481 4 394 313 1146 2782 Inactive Gatekeeper 9259 1IMJ SER 44 C -7.465 11.141 -9.556 -4.476 4 320 213 1226 3161 Inactive Selective 9260 1IMJ SER 45 H -9.634 12.468 -11.829 -4.612 7 262 134 1331 3511 Inactive Selective 9261 1IMJ GLU 46 H -11.418 12.967 -16.307 -5.928 8 211 93 1439 3746 Inactive Selective 9262 1IMJ THR 47 H -11.414 13.543 -16.097 -6.001 8 169 84 1526 3768 Inactive Selective 9263 1IMJ TRP 48 H -11.022 13.586 -15.467 -5.94 8 108 80 1567 3624 Inactive Selective 9264 1IMJ GLN 49 H -8.681 9.502 -13.575 -5.717 6 102 90 1580 3409 Inactive Selective 9265 1IMJ ASN 50 H -8.502 10.213 -13.165 -5.546 6 92 91 1596 3216 Inactive Selective 9266 1IMJ LEU 51 H -8.487 10.302 -13.147 -5.531 6 90 89 1605 3090 Inactive Selective 9267 1IMJ GLY 52 C -8.487 10.299 -13.149 -5.531 6 86 89 1603 2952 Inactive Selective 9268 1IMJ THR 53 H -8.492 10.276 -13.135 -5.528 6 82 75 1618 2814 Inactive Selective 9269 1IMJ LEU 54 H -9.232 12.388 -12.128 -5.067 7 78 70 1604 2681 Inactive Selective 9270 1IMJ HIS 55 H -10.539 13.618 -13.201 -5.148 7 86 76 1569 2487 Inactive Selective 9271 1IMJ ARG 56 H -11.956 13.217 -16.01 -5.266 8 90 77 1499 2204 Inactive Selective 9272 1IMJ LEU 57 H -8.677 11.164 -11.062 -4.486 5 91 80 1401 1797 Inactive Selective 9273 1IMJ ALA 58 H -8.592 11.283 -11.251 -4.537 5 115 154 1292 1443 Inactive Selective 9274 1IMJ GLN 59 H -8.592 11.283 -11.252 -4.537 5 142 560 1194 1216 Inactive Inactive 9275 1IMJ ALA 60 H -8.592 11.283 -11.252 -4.537 5 160 992 1105 1146 Inactive Inactive 9276 1IMJ GLY 61 C -8.592 11.281 -11.248 -4.537 5 216 1753 1061 1228 Inactive Inactive 9277 1IMJ TYR 62 E -9.776 12.062 -12.486 -4.865 7 325 2316 1052 1381 Inactive Inactive 9278 1IMJ ARG 63 E -12.788 14.147 -16.166 -4.84 8 383 2801 1049 1519 Inactive Gatekeeper 9279 1IMJ ALA 64 E -11.503 14.312 -12.783 -4.105 7 457 3345 1051 1597 Inactive Gatekeeper 9280 1IMJ VAL 65 E -11.339 14.829 -12.669 -4.156 7 523 3747 1067 1649 Inactive Gatekeeper 9281 1IMJ ALA 66 E -11.076 15.468 -12.382 -4.236 7 538 4054 1073 1661 Inactive Gatekeeper 9282 1IMJ ILE 67 E -10.542 15.116 -12.201 -4.467 7 567 4316 1074 1614 Gatekeeper Gatekeeper 9283 1IMJ ASP 68 E -10.063 14.378 -12.175 -4.603 7 629 4613 1100 1566 Gatekeeper Gatekeeper 9284 1IMJ LEU 69 T -7.576 12.65 -8.834 -4.44 4 837 5377 1106 1517 Gatekeeper Gatekeeper 9285 1IMJ PRO 70 T -7.057 10.884 -9.595 -4.456 4 1180 6283 1141 1492 Gatekeeper Gatekeeper 9286 1IMJ GLY 71 T -7.017 10.696 -9.854 -4.504 4 1511 7310 1163 1470 Selective Gatekeeper 9287 1IMJ LEU 72 T -6.975 10.504 -10.068 -4.524 4 1838 8024 1184 1419 Selective Gatekeeper 9288 1IMJ GLY 73 G -6.125 6.421 -11.063 -4.646 3 2287 9006 1204 1346 Selective Permissive 9289 1IMJ HIS 74 G -6.135 5.899 -11.322 -4.64 3 2670 9431 1217 1225 Selective Permissive 9290 1IMJ SER 75 G -6.187 5.378 -11.545 -4.642 3 2970 10123 1222 1076 Selective Permissive 9291 1IMJ LYS 76 T -5.908 5.36 -11.03 -4.28 3 3362 10995 1231 916 Selective Permissive 9292 1IMJ GLU 77 T -5.739 5.859 -10.536 -4.092 2 3872 12234 1241 788 Selective Permissive 9293 1IMJ ALA 78 T -5.851 7.168 -9.402 -3.596 2 4585 13977 1252 688 Selective Permissive 9294 1IMJ ALA 79 C -5.452 7.617 -8.306 -3.376 2 5225 15680 1264 621 Selective Permissive 9295 1IMJ ALA 80 T -4.771 9.238 -6.122 -3.193 1 5546 17352 1288 595 Selective Permissive 9296 1IMJ PRO 81 T -4.339 9.175 -5.888 -3.379 1 5805 18842 1305 586 Selective Permissive 9297 1IMJ ALA 82 T -3.857 7.318 -6.624 -3.64 1 5773 19210 1350 591 Selective Permissive 9298 1IMJ PRO 83 T -3.484 7.773 -6.293 -3.855 1 5601 19401 1376 594 Selective Permissive 9299 1IMJ ILE 84 T -3.482 7.823 -6.295 -3.874 1 5358 18953 1386 585 Selective Permissive 9300 1IMJ GLY 85 T -3.529 7.644 -6.395 -3.938 2 5175 18556 1388 568 Selective Permissive 9301 1IMJ GLU 86 T -3.617 7.437 -6.476 -3.997 2 4770 17586 1377 565 Selective Permissive 9302 1IMJ LEU 87 C -3.898 8.389 -6.002 -4.087 2 4443 17025 1354 569 Selective Permissive 9303 1IMJ ALA 88 C -5.67 10.393 -7.599 -4.177 4 4194 16373 1313 591 Selective Permissive 9304 1IMJ PRO 89 C -6.828 11.044 -9.364 -4.263 4 3833 15387 1260 625 Selective Permissive 9305 1IMJ GLY 90 H -7.261 11.423 -9.279 -4.119 4 3293 13618 1209 657 Selective Permissive 9306 1IMJ SER 91 H -8.009 10.821 -9.803 -3.756 4 2555 11517 1144 684 Selective Inactive 9307 1IMJ PHE 92 H -9.309 13.652 -10.802 -3.998 7 2164 9994 1080 706 Selective Inactive 9308 1IMJ LEU 93 H -9.359 14.948 -9.861 -3.726 4 2252 9057 992 709 Selective Inactive 9309 1IMJ ALA 94 H -8.054 10.374 -9.387 -3.314 4 2427 8355 912 694 Selective Inactive 9310 1IMJ ALA 95 H -7.761 10.308 -9.44 -3.317 4 2756 8403 830 694 Selective Inactive 9311 1IMJ VAL 96 H -7.707 10.536 -9.464 -3.353 4 3169 8642 761 694 Selective Inactive 9312 1IMJ VAL 97 H -7.01 9.378 -9.513 -3.677 4 3353 9141 721 709 Selective Inactive 9313 1IMJ ASP 98 H -6.869 9.616 -9.613 -3.826 4 3666 10091 697 737 Selective Inactive 9314 1IMJ ALA 99 H -6.876 9.728 -9.745 -3.974 4 4133 11362 684 761 Selective Inactive 9315 1IMJ LEU 100 H -6.731 9.889 -9.76 -4.139 4 4448 12394 678 801 Selective Inactive 9316 1IMJ GLU 101 C -5.609 10.047 -7.48 -3.981 2 4698 13337 679 831 Selective Inactive 9317 1IMJ LEU 102 T -5.593 10.379 -7.295 -3.958 4 5194 14867 675 896 Selective Inactive 9318 1IMJ GLY 103 T -5.597 10.411 -7.236 -3.934 4 5668 16608 657 1010 Selective Inactive 9319 1IMJ PRO 104 T -5.604 10.408 -7.193 -3.925 4 5885 17966 649 1176 Selective Inactive 9320 1IMJ PRO 105 T -5.63 10.409 -7.079 -3.904 4 5694 17994 637 1401 Selective Gatekeeper 9321 1IMJ VAL 106 E -6.895 12.868 -7.051 -3.537 4 5283 17085 660 1647 Selective Gatekeeper 9322 1IMJ VAL 107 E -7.892 12.72 -7.863 -3.214 4 4786 16103 688 1946 Selective Gatekeeper 9323 1IMJ ILE 108 E -9.347 16.384 -8.671 -3.392 4 4285 15097 711 2275 Selective Gatekeeper 9324 1IMJ SER 109 E -9.712 15.832 -9.749 -3.759 4 3741 13982 733 2608 Selective Gatekeeper 9325 1IMJ PRO 110 E -9.9 15.221 -10.504 -3.973 7 3484 12985 758 2918 Selective Gatekeeper 9326 1IMJ SER 111 G -10.607 13.746 -13.135 -4.603 7 3009 11327 792 3200 Selective Gatekeeper 9327 1IMJ LEU 112 G -10.909 13.337 -13.733 -4.814 7 2502 9959 832 3430 Selective Gatekeeper 9328 1IMJ SER 113 G -11.002 12.926 -13.856 -4.851 7 2172 9220 880 3639 Selective Gatekeeper 9329 1IMJ GLY 114 G -11.021 12.92 -13.796 -4.852 7 1834 8673 943 3785 Selective Gatekeeper 9330 1IMJ MET 115 G -12.748 15.226 -16.554 -5.708 8 1377 7692 1011 3864 Selective Gatekeeper 9331 1IMJ TYR 116 H -13.28 17.627 -16.054 -5.763 8 913 6822 1083 3815 Gatekeeper Gatekeeper 9332 1IMJ SER 117 H -13.289 19.822 -14.563 -5.403 8 828 6606 1168 3675 Gatekeeper Gatekeeper 9333 1IMJ LEU 118 H -12.5 21.555 -11.283 -4.685 7 1059 7714 1235 3442 Gatekeeper Selective 9334 1IMJ PRO 119 H -11.526 20.881 -11.401 -5.282 7 1158 9166 1273 3178 Gatekeeper Selective 9335 1IMJ PHE 120 H -10.29 16.402 -10.92 -4.595 7 1347 10221 1280 2858 Selective Selective 9336 1IMJ LEU 121 H -5.768 9.495 -7.798 -4.199 4 1505 11564 1297 2492 Selective Selective 9337 1IMJ THR 122 H -4.806 6.283 -8.71 -4.251 2 1735 12983 1315 2128 Selective Selective 9338 1IMJ ALA 123 T -4.277 4.813 -8.883 -4.091 2 1999 14553 1329 1785 Selective Selective 9339 1IMJ PRO 124 T -4.121 5.503 -8.618 -4.126 2 2392 16812 1323 1479 Selective Selective 9340 1IMJ GLY 125 T -4.115 5.55 -8.621 -4.127 2 2654 18443 1303 1218 Selective Permissive 9341 1IMJ SER 126 T -4.152 5.295 -8.676 -4.123 2 2655 19149 1281 971 Selective Permissive 9342 1IMJ GLN 127 C -4.336 5.222 -8.578 -4.07 2 2677 19771 1224 795 Selective Permissive 9343 1IMJ LEU 128 C -4.959 7.89 -7.787 -4.236 2 2733 20632 1157 656 Selective Inactive 9344 1IMJ PRO 129 C -6.797 10.328 -9.042 -4.301 4 2847 21421 1083 605 Selective Inactive 9345 1IMJ GLY 130 E -8.358 13.147 -10.116 -4.367 4 2761 21276 1000 586 Selective Inactive 9346 1IMJ PHE 131 E -9.184 17.181 -9.118 -4.192 4 2590 20482 941 591 Selective Inactive 9347 1IMJ VAL 132 E -9.387 16.627 -9.014 -3.601 4 2612 19644 884 597 Selective Inactive 9348 1IMJ PRO 133 E -9.482 16.234 -9.088 -3.489 4 2589 19074 851 606 Selective Inactive 9349 1IMJ VAL 134 E -9.537 15.351 -9.783 -3.595 4 2451 17744 807 613 Selective Inactive 9350 1IMJ ALA 135 T -9.13 14.529 -10.275 -4.166 4 2197 16172 766 613 Selective Inactive 9351 1IMJ PRO 136 T -8.448 12.994 -10.687 -4.637 7 1897 14461 719 594 Selective Inactive 9352 1IMJ ILE 137 T -7.513 10.782 -10.936 -5.016 4 1493 12186 673 548 Selective Inactive 9353 1IMJ CYS 138 T -6.561 11.699 -9.566 -5.229 4 1209 10210 632 502 Gatekeeper Inactive 9354 1IMJ THR 139 T -6.486 11.523 -9.753 -5.221 4 1104 8577 578 452 Gatekeeper Inactive 9355 1IMJ ASP 140 T -6.455 11.32 -9.892 -5.201 4 999 6939 542 390 Gatekeeper Inactive 9356 1IMJ LYS 141 T -6.451 11.208 -9.945 -5.192 4 817 5225 530 327 Gatekeeper Inactive 9357 1IMJ ILE 142 T -6.428 10.682 -10.092 -5.098 4 660 3706 533 263 Inactive Inactive 9358 1IMJ ASN 143 C -7.026 8.491 -11.652 -4.778 3 585 2816 534 208 Inactive Inactive 9359 1IMJ ALA 144 H -7.236 7.724 -11.881 -4.62 5 505 2186 517 158 Inactive Inactive 9360 1IMJ ALA 145 H -7.382 7.556 -11.785 -4.568 5 421 1708 530 132 Inactive Inactive 9361 1IMJ ASN 146 H -7.472 7.431 -11.671 -4.565 5 354 1413 549 145 Inactive Inactive 9362 1IMJ TYR 147 H -9.623 10.228 -13.932 -5.098 6 387 1499 579 163 Inactive Inactive 9363 1IMJ ALA 148 H -9.665 8.478 -13.732 -4.169 5 467 1758 601 189 Inactive Inactive 9364 1IMJ SER 149 H -9.496 8.612 -13.577 -4.101 5 547 1942 642 230 Inactive Inactive 9365 1IMJ VAL 150 C -9.436 8.869 -13.436 -4.063 5 703 2195 715 320 Inactive Inactive 9366 1IMJ LYS 151 C -9.428 8.939 -13.418 -4.061 5 843 2746 795 433 Inactive Inactive 9367 1IMJ THR 152 C -9.398 9.355 -13.258 -4.056 5 947 3149 886 534 Inactive Inactive 9368 1IMJ PRO 153 C -9.721 12.247 -12.119 -3.917 7 1108 3870 969 628 Inactive Inactive 9369 1IMJ ALA 154 E -10.057 14.525 -11.092 -3.802 7 1238 4057 1032 682 Inactive Inactive 9370 1IMJ LEU 155 E -10.324 16.64 -10.025 -3.721 7 1353 4102 1077 709 Permissive Inactive 9371 1IMJ ILE 156 E -10.367 16.955 -9.798 -3.705 7 1404 4091 1099 741 Permissive Inactive 9372 1IMJ VAL 157 E -10.457 16.425 -10.276 -3.839 7 1375 3963 1132 797 Permissive Inactive 9373 1IMJ TYR 158 E -11.288 14.362 -14.334 -5.096 8 1326 3800 1138 862 Permissive Inactive 9374 1IMJ GLY 159 E -8.588 6.358 -13.875 -4.78 5 1258 3615 1135 877 Permissive Inactive 9375 1IMJ ASP 160 T -8.506 6.484 -14.021 -4.807 5 1232 3369 1156 967 Inactive Inactive 9376 1IMJ GLN 161 T -8.126 6.9 -13.759 -4.869 3 1137 3047 1198 1185 Inactive Inactive 9377 1IMJ ASP 162 T -8.119 6.879 -13.796 -4.87 3 1067 2851 1245 1474 Inactive Selective 9378 1IMJ PRO 163 H -7.912 6.656 -13.777 -4.78 3 923 2600 1248 1733 Inactive Selective 9379 1IMJ MET 164 H -8.126 6.847 -13.779 -4.787 5 791 2050 1244 1919 Inactive Selective 9380 1IMJ GLY 165 H -8.167 6.812 -13.694 -4.773 5 703 1663 1241 2127 Inactive Selective 9381 1IMJ GLN 166 H -8.587 6.233 -13.935 -4.604 5 543 944 1254 2339 Inactive Selective 9382 1IMJ THR 167 H -8.604 6.225 -13.856 -4.592 5 413 689 1275 2620 Inactive Selective 9383 1IMJ SER 168 H -10.355 8.035 -16.078 -5.115 6 285 491 1296 2980 Inactive Selective 9384 1IMJ PHE 169 H -11.25 12.289 -15.883 -5.315 8 231 365 1327 3288 Inactive Selective 9385 1IMJ GLU 170 H -11.043 13.124 -15.254 -5.45 8 207 297 1351 3487 Inactive Selective 9386 1IMJ HIS 171 H -11.077 13.897 -14.899 -5.49 8 196 233 1371 3608 Inactive Selective 9387 1IMJ LEU 172 H -11.063 14.453 -14.544 -5.443 8 154 114 1390 3697 Inactive Selective 9388 1IMJ LYS 173 H -10.992 14.171 -14.687 -5.406 8 134 93 1383 3672 Inactive Selective 9389 1IMJ GLN 174 C -10.916 13.513 -14.736 -5.263 8 140 118 1371 3486 Inactive Selective 9390 1IMJ LEU 175 T -10.811 12.681 -14.27 -4.722 7 207 258 1345 3188 Inactive Selective 9391 1IMJ PRO 176 T -8.718 10.152 -11.31 -4.154 5 260 342 1324 2864 Inactive Selective 9392 1IMJ ASN 177 T -8.704 10.19 -11.353 -4.159 5 422 550 1295 2593 Inactive Selective 9393 1IMJ HIS 178 E -8.506 11.105 -10.966 -4.126 4 563 759 1263 2327 Inactive Selective 9394 1IMJ ARG 179 E -8.481 11.261 -10.957 -4.135 4 635 1006 1239 2083 Inactive Selective 9395 1IMJ VAL 180 E -8.147 12.036 -10.464 -4.245 4 748 1267 1211 1814 Inactive Selective 9396 1IMJ LEU 181 E -8.039 12.23 -10.637 -4.597 4 789 1384 1198 1482 Inactive Gatekeeper 9397 1IMJ ILE 182 E -7.013 10.287 -10.387 -4.891 4 796 1436 1202 1207 Inactive Inactive 9398 1IMJ MET 183 E -6.796 9.58 -10.972 -5.067 3 825 1542 1199 1027 Inactive Inactive 9399 1IMJ LYS 184 T -6.679 9.355 -11.213 -5.117 3 856 1704 1211 898 Inactive Permissive 9400 1IMJ GLY 185 T -6.645 9.267 -11.302 -5.136 3 882 1811 1216 820 Inactive Permissive 9401 1IMJ ALA 186 T -6.671 9.179 -11.309 -5.146 3 864 1834 1236 826 Inactive Permissive 9402 1IMJ GLY 187 T -7.039 8.582 -12.145 -5.311 3 850 1811 1263 917 Inactive Permissive 9403 1IMJ HIS 188 T -7.433 8.897 -12.11 -5.232 5 764 1663 1298 1054 Inactive Permissive 9404 1IMJ PRO 189 T -8.053 9.839 -11.767 -5.041 5 697 1580 1344 1269 Inactive Permissive 9405 1IMJ CYS 190 H -10.012 11.118 -13.884 -5.027 6 528 1371 1397 1581 Inactive Selective 9406 1IMJ TYR 191 H -10.938 16.061 -12.891 -5.019 7 371 1152 1438 1886 Inactive Selective 9407 1IMJ LEU 192 H -9.689 9.608 -13.878 -4.77 6 298 904 1443 2146 Inactive Selective 9408 1IMJ ASP 193 H -9.619 9.363 -14.194 -4.814 6 186 652 1456 2401 Inactive Selective 9409 1IMJ LYS 194 C -9.656 8.926 -14.321 -4.811 6 152 547 1460 2648 Inactive Selective 9410 1IMJ PRO 195 H -9.659 8.888 -14.321 -4.807 6 136 488 1458 2876 Inactive Selective 9411 1IMJ GLU 196 H -9.677 8.652 -14.368 -4.801 6 110 379 1471 3080 Inactive Selective 9412 1IMJ GLU 197 H -10.885 7.812 -16.676 -5.183 6 - - - - - - 9413 1IMJ TRP 198 H -12.564 15.562 -16.095 -5.586 8 - - - - - - 9414 1IMJ HIS 199 H -11.513 13.613 -14.592 -5.065 8 - - - - - - 9415 1IMJ THR 200 H -10.593 11.407 -14.269 -4.818 7 - - - - - - 9416 1IMJ GLY 201 H -10.589 11.439 -14.273 -4.82 7 - - - - - - 9417 1IMJ LEU 202 H -10.596 11.405 -14.245 -4.809 7 - - - - - - 9418 1IMJ LEU 203 H -10.596 11.424 -14.267 -4.834 7 - - - - - - 9419 1IMJ ASP 204 H -10.264 12.884 -13.907 -5.387 7 - - - - - - 9420 1IMJ PHE 205 H -8.884 14.024 -10.401 -4.837 7 - - - - - - 9421 1IMJ LEU 206 H -6.289 8.751 -8.336 -3.753 2 - - - - - - 9422 1IMJ GLN 207 H -6.289 8.751 -8.336 -3.753 2 - - - - - - 9423 1IMJ GLY 208 H -6.289 8.751 -8.336 -3.753 2 - - - - - - 9424 1IMJ LEU 209 C -6.289 8.751 -8.336 -3.753 2 - - - - - - 9425 1J74 VAL 7 C -1.859 1.837 -4.874 -2.686 1 - - - - - - 9426 1J74 LYS 8 C -1.859 1.837 -4.874 -2.686 1 - - - - - - 9427 1J74 VAL 9 H -1.859 1.837 -4.874 -2.686 1 - - - - - - 9428 1J74 PRO 10 H -1.859 1.837 -4.874 -2.686 1 - - - - - - 9429 1J74 ARG 11 H -6.98 4.258 -12.057 -3.991 3 - - - - - - 9430 1J74 ASN 12 H -8.249 5.12 -14.401 -4.923 3 - - - - - - 9431 1J74 PHE 13 H -9.518 6.806 -15.957 -5.67 6 - - - - - - 9432 1J74 ARG 14 H -11.489 11.688 -14.93 -4.664 7 - - - - - - 9433 1J74 LEU 15 H -11.449 12.215 -14.601 -4.594 7 - - - - - - 9434 1J74 LEU 16 H -11.305 12.014 -15.186 -4.855 8 - - - - - - 9435 1J74 GLU 17 H -11.284 12.006 -15.34 -4.929 8 - - - - - - 9436 1J74 GLU 18 H -11.753 12.449 -17.591 -6.116 8 - - - - - - 9437 1J74 LEU 19 H -10.039 10.041 -16.859 -6.735 6 2172 1842 1830 3663 Permissive Selective 9438 1J74 GLU 20 H -8.092 6.812 -14.865 -5.953 6 2534 2427 1729 3296 Permissive Selective 9439 1J74 GLU 21 H -7.25 6.459 -13.649 -5.537 3 2783 3050 1620 2935 Selective Selective 9440 1J74 GLY 22 H -6.121 5.295 -11.695 -4.834 3 2851 3827 1515 2540 Selective Selective 9441 1J74 GLN 23 H -5.045 4.847 -10.26 -4.684 2 2882 4135 1407 2082 Selective Selective 9442 1J74 LYS 24 H -4.652 4.316 -10.37 -4.695 2 2797 4424 1287 1677 Selective Gatekeeper 9443 1J74 GLY 25 C -3.914 3.269 -9.914 -4.707 2 2721 4684 1179 1369 Selective Inactive 9444 1J74 VAL 26 T -3.797 3.526 -9.926 -4.74 2 2449 4562 1094 1116 Selective Inactive 9445 1J74 GLY 27 T -3.688 3.992 -9.719 -4.757 2 2453 4609 1030 908 Selective Inactive 9446 1J74 ASP 28 T -3.738 3.934 -9.697 -4.765 2 2344 4554 980 783 Selective Inactive 9447 1J74 GLY 29 T -3.803 3.954 -9.602 -4.77 2 2193 4487 958 716 Selective Inactive 9448 1J74 THR 30 C -4.334 5.548 -9.401 -4.848 2 1825 4086 961 731 Selective Inactive 9449 1J74 VAL 31 E -4.688 6.222 -8.912 -4.814 2 1467 3647 987 828 Selective Inactive 9450 1J74 SER 32 E -6.973 7.423 -10.9 -4.599 3 1155 3147 1047 933 Selective Inactive 9451 1J74 TRP 33 E -10.621 15.135 -14.57 -5.929 8 778 2537 1103 1116 Gatekeeper Inactive 9452 1J74 GLY 34 E -8.451 8.764 -13.29 -5.494 6 626 1893 1138 1227 Inactive Inactive 9453 1J74 LEU 35 E -7.238 7.864 -12.073 -5.226 3 603 1097 1180 1377 Inactive Inactive 9454 1J74 GLU 36 T -6.955 6.951 -12.864 -5.409 3 622 744 1238 1489 Inactive Inactive 9455 1J74 ASP 37 T -5.657 3.486 -11.689 -4.68 3 607 424 1270 1578 Inactive Inactive 9456 1J74 ASP 38 T -5.291 3.257 -11.47 -4.499 3 567 141 1298 1646 Inactive Selective 9457 1J74 GLU 39 T -5.265 3.368 -11.457 -4.488 3 541 82 1318 1686 Inactive Selective 9458 1J74 ASP 40 T -5.282 3.248 -11.447 -4.466 3 442 19 1338 1701 Inactive Selective 9459 1J74 MET 41 T -5.295 3.197 -11.385 -4.438 3 406 92 1367 1673 Inactive Selective 9460 1J74 THR 42 T -5.685 3.334 -11.238 -4.296 3 546 1064 1379 1639 Inactive Selective 9461 1J74 LEU 43 T -7.019 6.265 -11.464 -4.38 3 605 1774 1384 1571 Inactive Permissive 9462 1J74 THR 44 C -8.481 7.869 -12.557 -4.571 5 661 2498 1385 1456 Inactive Permissive 9463 1J74 ARG 45 E -11.729 10.305 -17.585 -5.854 8 739 3454 1378 1384 Gatekeeper Permissive 9464 1J74 TRP 46 E -11.808 16.633 -13.201 -5.221 7 777 4368 1366 1217 Gatekeeper Permissive 9465 1J74 THR 47 E -9.397 12.042 -11.492 -4.5 7 757 5058 1358 1117 Gatekeeper Permissive 9466 1J74 GLY 48 E -8.422 11.138 -11.162 -4.607 5 759 5794 1334 1002 Gatekeeper Permissive 9467 1J74 MET 49 E -8.207 11.72 -10.809 -4.514 4 767 6471 1313 995 Gatekeeper Permissive 9468 1J74 ILE 50 E -7.722 11.67 -9.951 -4.225 4 843 7263 1309 1049 Gatekeeper Permissive 9469 1J74 ILE 51 E -6.773 9.119 -9.211 -3.708 4 1047 8164 1325 1187 Selective Permissive 9470 1J74 GLY 52 C -6.252 8.972 -8.841 -3.793 2 1215 8884 1343 1462 Selective Permissive 9471 1J74 PRO 53 T -6.237 8.95 -8.879 -3.792 2 1302 9241 1369 1913 Selective Selective 9472 1J74 PRO 54 T -6.243 8.906 -8.868 -3.786 2 1303 9173 1401 2508 Selective Selective 9473 1J74 ARG 55 T -6.271 8.774 -8.849 -3.776 2 1190 8196 1470 3181 Selective Selective 9474 1J74 THR 56 T -6.519 8.93 -8.76 -3.88 4 1137 7487 1534 3930 Selective Selective 9475 1J74 ASN 57 T -8.049 9.383 -10.687 -4.151 4 1118 6777 1619 4823 Selective Selective 9476 1J74 TYR 58 T -10.552 12.235 -14.958 -5.347 6 1112 5844 1725 5804 Selective Selective 9477 1J74 GLU 59 T -10.658 12.628 -15.2 -5.569 8 1153 5036 1835 6808 Selective Selective 9478 1J74 ASN 60 T -10.74 12.6 -15.257 -5.6 8 1145 4450 1932 7693 Selective Selective 9479 1J74 ARG 61 T -11.088 13.053 -14.869 -5.33 8 1101 3831 2034 8401 Selective Selective 9480 1J74 ILE 62 E -11.073 13.208 -14.804 -5.316 8 1012 3382 2126 8874 Gatekeeper Selective 9481 1J74 TYR 63 E -11.405 13.314 -14.831 -5.288 8 911 2680 2195 9128 Gatekeeper Selective 9482 1J74 SER 64 E -12.348 14.882 -15.446 -5.224 8 707 1829 2222 9186 Inactive Selective 9483 1J74 LEU 65 E -12.6 16.478 -15.138 -5.295 8 568 1685 2228 9035 Inactive Selective 9484 1J74 LYS 66 E -11.109 12.838 -15.279 -5.807 8 621 2698 2209 8618 Gatekeeper Selective 9485 1J74 VAL 67 E -9.182 9.902 -13.047 -5.001 6 772 4089 2145 8029 Gatekeeper Selective 9486 1J74 GLU 68 E -6.308 6.094 -11.247 -4.999 3 919 5636 2053 7350 Gatekeeper Selective 9487 1J74 CYS 69 C -6.274 6.279 -11.26 -4.993 3 1032 7120 1955 6634 Gatekeeper Selective 9488 1J74 GLY 70 T -6.247 6.507 -11.207 -4.97 3 1186 8839 1846 5794 Selective Selective 9489 1J74 PRO 71 T -6.235 6.62 -11.192 -4.962 3 1286 10388 1702 4853 Selective Selective 9490 1J74 LYS 72 T -6.228 6.693 -11.164 -4.951 3 1304 11259 1552 3931 Selective Selective 9491 1J74 TYR 73 T -7.419 10.841 -10.713 -4.632 4 1322 12097 1409 3121 Selective Selective 9492 1J74 PRO 74 T -7.271 12.28 -8.769 -3.937 4 1639 13178 1250 2465 Selective Gatekeeper 9493 1J74 GLU 75 T -7.279 11.959 -8.669 -3.721 4 1708 13379 1101 1954 Selective Gatekeeper 9494 1J74 ALA 76 T -7.238 11.989 -8.418 -3.553 4 1822 13766 967 1594 Selective Gatekeeper 9495 1J74 PRO 77 T -7.294 11.996 -8.242 -3.472 4 1918 14004 871 1370 Selective Inactive 9496 1J74 PRO 78 C -7.299 11.977 -8.22 -3.465 4 1938 13518 827 1236 Selective Inactive 9497 1J74 SER 79 E -7.768 11.009 -9.174 -3.483 4 1812 12171 809 1227 Selective Inactive 9498 1J74 VAL 80 E -8.259 12.41 -8.42 -3.287 4 1671 10818 840 1268 Selective Inactive 9499 1J74 ARG 81 E -10.371 14.186 -10.574 -3.659 7 1519 9371 892 1344 Selective Inactive 9500 1J74 PHE 82 E -11.505 19.624 -11.552 -5.181 7 1462 8028 956 1374 Selective Inactive 9501 1J74 VAL 83 T -10.63 16.223 -12.351 -5.323 7 1309 6407 997 1392 Selective Inactive 9502 1J74 THR 84 B -10.421 16.049 -12.668 -5.487 7 1159 5104 1044 1365 Selective Inactive 9503 1J74 LYS 85 T -10.271 15.603 -13.065 -5.592 7 1066 4359 1084 1312 Selective Inactive 9504 1J74 ILE 86 C -8.805 11.694 -12.733 -5.644 6 980 3597 1115 1231 Gatekeeper Inactive 9505 1J74 ASN 87 C -8.318 11.368 -12.382 -5.515 5 657 2695 1153 1156 Gatekeeper Inactive 9506 1J74 MET 88 B -7.944 10.815 -12.369 -5.518 5 589 2427 1201 1123 Inactive Inactive 9507 1J74 ASN 89 T -7.189 8.16 -12.246 -5.232 3 507 2188 1255 1127 Inactive Inactive 9508 1J74 GLY 90 T -6.633 7.145 -11.57 -4.777 3 441 2002 1295 1115 Inactive Permissive 9509 1J74 ILE 91 B -6.546 7.002 -11.631 -4.721 3 414 1938 1302 1102 Inactive Permissive 9510 1J74 ASN 92 T -6.349 6.15 -11.941 -4.705 3 440 2145 1290 1063 Inactive Permissive 9511 1J74 ASN 93 T -6.244 5.758 -12.071 -4.67 3 442 2243 1251 1017 Inactive Inactive 9512 1J74 SER 94 T -6.324 5.56 -12.058 -4.583 3 428 2187 1196 935 Inactive Inactive 9513 1J74 SER 95 T -6.588 5.034 -12.586 -4.639 3 395 2111 1133 876 Inactive Inactive 9514 1J74 GLY 96 T -6.678 4.766 -12.702 -4.657 3 367 2026 1078 825 Inactive Inactive 9515 1J74 MET 97 B -7.008 5.456 -12.452 -4.431 3 376 1774 1026 817 Inactive Inactive 9516 1J74 VAL 98 B -7.106 7.627 -10.464 -3.62 4 415 1572 974 827 Inactive Inactive 9517 1J74 ASP 99 C -6.833 8.414 -9.707 -3.565 4 461 1442 938 839 Inactive Inactive 9518 1J74 ALA 100 G -6.803 8.524 -9.693 -3.555 4 514 1222 902 850 Inactive Inactive 9519 1J74 ARG 101 G -6.811 8.673 -9.551 -3.517 4 578 1137 849 853 Inactive Inactive 9520 1J74 SER 102 G -6.888 8.934 -9.31 -3.492 4 635 983 806 836 Inactive Inactive 9521 1J74 ILE 103 C -7.219 9.827 -9.086 -3.56 4 710 998 783 836 Inactive Inactive 9522 1J74 PRO 104 H -7.791 11.559 -9.182 -3.448 4 727 1003 771 855 Inactive Inactive 9523 1J74 VAL 105 H -7.965 12.224 -8.903 -3.459 4 733 774 776 894 Inactive Inactive 9524 1J74 LEU 106 H -8.078 12.339 -8.721 -3.433 4 752 623 780 968 Inactive Inactive 9525 1J74 ALA 107 H -8.047 12.076 -9.025 -3.532 4 788 579 767 1073 Inactive Inactive 9526 1J74 LYS 108 H -8.063 11.797 -9.192 -3.57 4 803 514 765 1181 Inactive Inactive 9527 1J74 TRP 109 C -9.03 12.736 -11.512 -4.457 7 854 490 767 1323 Inactive Inactive 9528 1J74 GLN 110 T -9.147 11.29 -12.608 -4.679 7 857 477 788 1494 Inactive Inactive 9529 1J74 ASN 111 T -9.232 10.66 -12.918 -4.731 5 837 447 830 1678 Inactive Gatekeeper 9530 1J74 SER 112 T -9.893 10.38 -14.056 -4.882 6 836 397 882 2023 Inactive Gatekeeper 9531 1J74 TYR 113 T -10.591 10.635 -15.147 -5.159 6 827 328 933 2479 Inactive Gatekeeper 9532 1J74 SER 114 C -10.346 12.248 -13.894 -4.979 7 843 252 978 2909 Inactive Gatekeeper 9533 1J74 ILE 115 H -10.653 15.274 -12.415 -4.784 7 939 171 1014 3372 Inactive Gatekeeper 9534 1J74 LYS 116 H -10.709 15.573 -12.117 -4.725 7 933 54 1052 3813 Inactive Gatekeeper 9535 1J74 VAL 117 H -10.687 15.534 -12.188 -4.719 7 1047 23 1110 4234 Permissive Gatekeeper 9536 1J74 VAL 118 H -10.69 15.542 -12.164 -4.711 7 1139 22 1165 4658 Permissive Gatekeeper 9537 1J74 LEU 119 H -11.455 16.944 -12.538 -4.731 7 1373 23 1239 5077 Permissive Gatekeeper 9538 1J74 GLN 120 H -12.114 15.329 -14.419 -4.816 7 1709 24 1343 5426 Permissive Selective 9539 1J74 GLU 121 H -12.387 15.26 -14.41 -4.784 7 1987 25 1436 5751 Permissive Selective 9540 1J74 LEU 122 H -13.222 17.049 -14.678 -5.05 8 2151 25 1539 6037 Permissive Selective 9541 1J74 ARG 123 H -14.502 15.549 -18.649 -5.585 8 2294 41 1617 6194 Permissive Selective 9542 1J74 ARG 124 H -12.87 12.083 -16.966 -5.171 8 2322 47 1663 6241 Permissive Selective 9543 1J74 LEU 125 H -11.254 11.696 -15.247 -5.32 8 2348 92 1676 6053 Permissive Selective 9544 1J74 MET 126 H -10.02 9.483 -15.198 -5.436 6 2513 535 1666 5696 Permissive Selective 9545 1J74 MET 127 H -9.378 7.842 -15.377 -5.384 6 2547 902 1670 5338 Permissive Selective 9546 1J74 SER 128 T -9.31 7.709 -15.538 -5.373 6 2609 1632 1667 4957 Permissive Selective 9547 1J74 LYS 129 T -9.287 7.631 -15.636 -5.373 6 2678 2333 1630 4593 Permissive Selective 9548 1J74 GLU 130 T -9.306 7.491 -15.659 -5.374 6 2679 3067 1572 4185 Selective Selective 9549 1J74 ASN 131 T -9.483 6.895 -15.844 -5.344 6 2661 3785 1497 3746 Selective Selective 9550 1J74 MET 132 T -10.341 6.675 -17.249 -5.287 6 2469 4516 1409 3262 Selective Selective 9551 1J74 LYS 133 T -10.647 7.345 -17.306 -5.165 6 - - - - - - 9552 1J74 LEU 134 T -10.194 8.261 -15.379 -4.729 6 - - - - - - 9553 1J74 PRO 135 C -9.367 7.971 -14.748 -4.999 6 - - - - - - 9554 1J74 GLN 136 C -8.45 7.743 -14.412 -5.535 6 - - - - - - 9555 1J74 PRO 137 C -5.705 6.523 -10.063 -4.841 3 - - - - - - 9556 1J74 PRO 138 T -5.695 6.622 -10.132 -4.895 3 - - - - - - 9557 1J74 GLU 139 T -5.69 6.664 -10.161 -4.914 3 - - - - - - 9558 1J74 GLY 140 T -5.671 6.791 -10.223 -4.956 3 - - - - - - 9559 1J74 GLN 141 T -5.664 6.849 -10.22 -4.957 3 - - - - - - 9560 1J74 THR 142 B -4.799 7.808 -6.833 -3.74 2 - - - - - - 9561 1J74 TYR 143 C -4.799 7.808 -6.833 -3.74 2 - - - - - - 9562 1J74 ASN 144 C -4.799 7.808 -6.833 -3.74 2 - - - - - - 9563 1J74 ASN 145 C -4.799 7.808 -6.833 -3.74 2 - - - - - - 9564 1JHJ ALA 2 C -1.758 2.965 -4.962 -3.131 1 - - - - - - 9565 1JHJ THR 3 T -1.758 2.965 -4.962 -3.131 1 - - - - - - 9566 1JHJ PRO 4 T -1.758 2.965 -4.962 -3.131 1 - - - - - - 9567 1JHJ ASN 5 T -1.758 2.965 -4.962 -3.131 1 - - - - - - 9568 1JHJ LYS 6 T -2.678 4.48 -5.257 -3.465 1 - - - - - - 9569 1JHJ THR 7 C -4.415 6.592 -8.507 -4.535 2 - - - - - - 9570 1JHJ PRO 8 C -4.485 6.258 -8.666 -4.48 2 - - - - - - 9571 1JHJ PRO 9 C -4.923 5.923 -9.476 -4.37 2 - - - - - - 9572 1JHJ GLY 10 C -5.162 5.288 -9.487 -3.916 2 - - - - - - 9573 1JHJ ALA 11 C -5.424 4.586 -8.774 -3.138 1 - - - - - - 9574 1JHJ ASP 12 C -5.793 4.433 -8.561 -2.983 1 - - - - - - 9575 1JHJ PRO 13 H -7.169 7.387 -9.186 -3.202 2 - - - - - - 9576 1JHJ LYS 14 H -8.237 8.116 -11.348 -3.904 5 4717 12833 1044 145 Selective Permissive 9577 1JHJ GLN 15 H -8.979 8.921 -13.055 -4.253 5 3759 10695 1021 134 Selective Permissive 9578 1JHJ LEU 16 H -7.928 7.273 -11.978 -4.257 5 2976 8616 1030 133 Selective Permissive 9579 1JHJ GLU 17 H -6.183 3.961 -10.059 -3.483 2 2294 6594 1034 129 Selective Permissive 9580 1JHJ ARG 18 H -5.496 4.97 -8.038 -2.871 1 1744 5144 1032 126 Selective Permissive 9581 1JHJ THR 19 H -5.349 5.269 -7.865 -2.797 1 1166 3704 1034 126 Selective Permissive 9582 1JHJ GLY 20 C -5.347 5.284 -7.874 -2.8 1 616 2305 1005 132 Selective Permissive 9583 1JHJ THR 21 C -5.353 5.27 -7.831 -2.784 1 221 860 974 132 Gatekeeper Permissive 9584 1JHJ VAL 22 E -5.51 5.731 -7.185 -2.585 1 72 231 929 122 Inactive Permissive 9585 1JHJ ARG 23 E -6.227 6.435 -7.357 -2.573 1 38 60 867 110 Inactive Permissive 9586 1JHJ GLU 24 E -8.252 9.551 -10.427 -3.65 4 63 49 798 95 Inactive Inactive 9587 1JHJ ILE 25 C -8.13 8.471 -10.723 -3.642 5 103 67 723 81 Inactive Inactive 9588 1JHJ GLY 26 G -7.917 6.803 -11.778 -3.784 5 169 126 665 71 Inactive Inactive 9589 1JHJ SER 27 G -7.971 6.292 -11.947 -3.765 5 284 238 640 61 Inactive Inactive 9590 1JHJ GLN 28 G -7.983 6.255 -11.925 -3.766 5 301 332 614 51 Inactive Inactive 9591 1JHJ ALA 29 E -7.983 6.301 -11.886 -3.753 5 333 580 570 38 Inactive Inactive 9592 1JHJ VAL 30 E -8.489 4.848 -13.617 -4.111 5 365 857 540 32 Gatekeeper Inactive 9593 1JHJ TRP 31 E -10.23 11.133 -11.886 -3.463 7 392 1087 539 29 Gatekeeper Inactive 9594 1JHJ SER 32 E -10.06 9.5 -12.562 -3.529 5 390 1213 510 25 Gatekeeper Inactive 9595 1JHJ LEU 33 E -9.432 9.915 -11.86 -3.809 5 389 1313 517 24 Gatekeeper Inactive 9596 1JHJ SER 34 T -8.434 6.431 -11.924 -3.677 5 411 1492 530 32 Gatekeeper Inactive 9597 1JHJ SER 35 T -6.483 4.667 -9.991 -3.62 2 424 1615 553 48 Gatekeeper Inactive 9598 1JHJ CYS 36 T -4.696 6.859 -8.011 -4.407 2 435 1731 576 63 Gatekeeper Inactive 9599 1JHJ LYS 37 B -4.56 6.653 -8.169 -4.34 2 457 1909 615 81 Gatekeeper Inactive 9600 1JHJ PRO 38 T -4.552 6.671 -8.173 -4.327 2 437 2013 661 102 Gatekeeper Inactive 9601 1JHJ GLY 39 T -4.551 6.677 -8.174 -4.327 2 373 1956 715 131 Gatekeeper Inactive 9602 1JHJ PHE 40 B -4.574 6.757 -8.107 -4.354 2 259 1846 759 168 Gatekeeper Inactive 9603 1JHJ GLY 41 T -5.45 6.062 -8.803 -4.036 2 269 1755 783 197 Gatekeeper Inactive 9604 1JHJ VAL 42 G -6.909 8.427 -9.024 -3.583 4 370 1511 848 253 Gatekeeper Inactive 9605 1JHJ ASP 43 G -7.663 9.477 -10.299 -4.152 4 607 1237 903 308 Selective Permissive 9606 1JHJ GLN 44 G -8.14 10.586 -10.733 -4.607 4 795 1006 928 367 Selective Permissive 9607 1JHJ LEU 45 G -8.163 10.586 -10.686 -4.631 4 975 870 972 405 Selective Permissive 9608 1JHJ ARG 46 C -11.779 9.801 -16.852 -5.015 6 1252 799 990 431 Permissive Permissive 9609 1JHJ ASP 47 C -8.67 5.839 -13.627 -4.656 5 1592 658 1013 437 Permissive Permissive 9610 1JHJ ASP 48 C -7.646 5.954 -11.826 -4.221 5 1895 576 1041 436 Permissive Permissive 9611 1JHJ ASN 49 T -7.572 6.499 -11.683 -4.23 3 2149 616 1076 436 Permissive Permissive 9612 1JHJ LEU 50 T -7.572 6.501 -11.683 -4.23 3 2348 544 1083 428 Permissive Permissive 9613 1JHJ GLU 51 T -7.572 6.5 -11.68 -4.229 3 2557 539 1072 409 Permissive Permissive 9614 1JHJ THR 52 T -7.673 6.624 -11.322 -4.151 3 2819 715 1055 389 Permissive Permissive 9615 1JHJ TYR 53 C -8.842 10.62 -10.607 -4.294 4 3097 898 1030 362 Selective Permissive 9616 1JHJ TRP 54 E -12.545 15.64 -13.961 -4.833 7 3146 1030 1029 351 Selective Permissive 9617 1JHJ GLN 55 E -11.288 6.402 -16.9 -4.906 6 3027 1116 978 312 Selective Permissive 9618 1JHJ SER 56 C -9.989 6.149 -16.571 -5.396 6 2784 1267 925 281 Selective Permissive 9619 1JHJ ASP 57 C -8.097 5.245 -12.748 -4.2 5 2624 1412 885 237 Selective Permissive 9620 1JHJ GLY 58 C -8.059 5.295 -12.799 -4.179 5 2526 1548 860 218 Selective Inactive 9621 1JHJ SER 59 T -8.055 5.319 -12.803 -4.176 5 2300 1542 846 209 Selective Inactive 9622 1JHJ GLN 60 T -8.057 5.316 -12.786 -4.173 5 1976 1510 831 219 Selective Inactive 9623 1JHJ PRO 61 T -8.078 5.29 -12.655 -4.127 5 1731 1474 820 246 Selective Inactive 9624 1JHJ HIS 62 E -9.632 6.377 -13.554 -3.853 5 1502 1317 806 288 Selective Inactive 9625 1JHJ LEU 63 E -11.01 9.668 -13.61 -3.803 5 1300 1194 794 335 Selective Inactive 9626 1JHJ VAL 64 E -12.413 14.072 -14.95 -4.497 8 1132 1075 786 428 Selective Inactive 9627 1JHJ ASN 65 E -12.353 14.606 -14.437 -4.387 7 922 896 771 478 Selective Inactive 9628 1JHJ ILE 66 E -11.884 15.008 -12.951 -4.046 7 691 711 756 513 Permissive Inactive 9629 1JHJ GLN 67 E -11.742 14.321 -13.243 -4.042 7 660 576 729 533 Permissive Inactive 9630 1JHJ PHE 68 E -10.701 11.669 -11.855 -3.438 7 726 492 709 552 Permissive Inactive 9631 1JHJ ARG 69 E -8.595 8.84 -10.231 -3.437 5 723 336 684 567 Permissive Inactive 9632 1JHJ ARG 70 E -8.58 8.915 -10.279 -3.454 5 676 190 675 615 Permissive Inactive 9633 1JHJ LYS 71 E -8.572 8.985 -10.323 -3.485 5 587 51 664 676 Permissive Gatekeeper 9634 1JHJ THR 72 E -8.428 10.106 -10.139 -3.644 4 538 26 655 736 Permissive Gatekeeper 9635 1JHJ THR 73 E -8.383 10.597 -9.943 -3.645 4 509 17 644 775 Permissive Gatekeeper 9636 1JHJ VAL 74 C -8.955 14.45 -9.414 -4.002 4 447 8 625 780 Inactive Gatekeeper 9637 1JHJ LYS 75 C -8.935 14.623 -9.304 -3.979 4 436 7 620 762 Inactive Gatekeeper 9638 1JHJ THR 76 E -8.952 14.64 -9.185 -3.936 4 436 8 617 728 Inactive Gatekeeper 9639 1JHJ LEU 77 E -9.393 15.203 -8.849 -3.621 4 444 11 644 661 Inactive Gatekeeper 9640 1JHJ CYS 78 E -9.791 14.616 -9.467 -3.646 4 423 15 673 646 Inactive Gatekeeper 9641 1JHJ ILE 79 E -10.406 15.309 -9.782 -3.816 7 398 33 715 648 Inactive Gatekeeper 9642 1JHJ TYR 80 E -12.092 18.202 -12.178 -4.452 7 363 44 753 659 Inactive Gatekeeper 9643 1JHJ ALA 81 E -11.115 11.791 -14.434 -4.87 7 287 44 804 662 Inactive Gatekeeper 9644 1JHJ ASP 82 E -11.026 10.991 -15.01 -4.967 6 273 51 850 655 Inactive Gatekeeper 9645 1JHJ TYR 83 G -10.674 9.515 -15.078 -4.718 6 281 57 867 639 Inactive Selective 9646 1JHJ LYS 84 G -9.663 6.371 -14.1 -4.033 5 281 68 859 620 Inactive Inactive 9647 1JHJ SER 85 G -9.656 6.395 -14.121 -4.034 5 279 76 854 634 Inactive Gatekeeper 9648 1JHJ ASP 86 C -9.67 6.272 -14.132 -4.017 5 270 83 846 656 Inactive Gatekeeper 9649 1JHJ GLU 87 G -9.651 6.547 -14.001 -3.991 5 260 87 852 707 Inactive Gatekeeper 9650 1JHJ SER 88 G -9.699 6.45 -13.902 -3.953 5 230 98 854 777 Inactive Gatekeeper 9651 1JHJ TYR 89 G -10.895 11.762 -14.019 -4.424 7 191 184 859 880 Inactive Gatekeeper 9652 1JHJ THR 90 C -10.761 12.733 -13.087 -4.217 7 129 269 856 964 Inactive Gatekeeper 9653 1JHJ PRO 91 E -10.899 13.715 -12.268 -3.913 7 106 305 874 1028 Inactive Selective 9654 1JHJ SER 92 E -11.17 14.234 -12.279 -3.922 7 86 290 897 1063 Inactive Selective 9655 1JHJ LYS 93 E -11.187 14.335 -12.217 -3.931 7 80 283 940 1059 Inactive Selective 9656 1JHJ ILE 94 E -11.198 14.379 -12.148 -3.905 7 80 289 976 1045 Inactive Selective 9657 1JHJ SER 95 E -11.521 13.664 -13.53 -4.154 7 79 290 1018 1038 Inactive Selective 9658 1JHJ VAL 96 E -10.683 12.384 -13.248 -4.569 7 66 291 1048 1005 Inactive Selective 9659 1JHJ ARG 97 E -10.312 11.015 -13.742 -4.616 7 68 290 1068 945 Inactive Selective 9660 1JHJ VAL 98 E -9.382 10.282 -12.553 -4.543 5 102 299 1087 852 Inactive Selective 9661 1JHJ GLY 99 E -7.239 6.329 -10.578 -4.035 2 154 313 1112 771 Inactive Selective 9662 1JHJ ASN 100 C -6.368 6.05 -9.766 -3.897 2 187 309 1128 691 Inactive Selective 9663 1JHJ ASN 101 T -6.181 6.849 -9.909 -4.17 2 198 298 1122 604 Inactive Permissive 9664 1JHJ PHE 102 T -6.134 7.006 -9.911 -4.164 2 253 211 1115 498 Inactive Permissive 9665 1JHJ HIS 103 T -6.076 7.059 -9.933 -4.162 2 249 123 1107 412 Inactive Permissive 9666 1JHJ ASN 104 T -6.155 7.226 -9.849 -4.182 2 259 86 1065 362 Inactive Permissive 9667 1JHJ LEU 105 E -6.611 8.704 -10.231 -4.56 5 270 84 1018 368 Inactive Permissive 9668 1JHJ GLN 106 E -7.043 8.401 -10.273 -4.156 4 329 145 960 436 Inactive Permissive 9669 1JHJ GLU 107 E -7.282 8.211 -10.456 -4.178 4 326 182 916 553 Inactive Permissive 9670 1JHJ ILE 108 E -8.051 9.824 -11.127 -4.227 4 323 285 873 664 Inactive Selective 9671 1JHJ ARG 109 E -8.281 9.832 -11.391 -4.299 5 332 365 850 793 Inactive Gatekeeper 9672 1JHJ GLN 110 E -8.154 9.895 -11.033 -4.107 4 328 433 846 999 Inactive Gatekeeper 9673 1JHJ LEU 111 E -8.613 10.855 -10.426 -3.684 4 301 638 839 1225 Inactive Gatekeeper 9674 1JHJ GLU 112 E -8.825 10.972 -10.413 -3.68 4 259 881 822 1443 Gatekeeper Gatekeeper 9675 1JHJ LEU 113 T -8.911 11.056 -10.353 -3.738 4 264 1232 810 1690 Gatekeeper Gatekeeper 9676 1JHJ VAL 114 T -8.879 11.173 -10.574 -3.886 4 286 1515 814 1952 Gatekeeper Gatekeeper 9677 1JHJ GLU 115 T -9.806 13.837 -13.373 -5.617 7 260 1888 836 2238 Gatekeeper Gatekeeper 9678 1JHJ PRO 116 T -10.165 13.764 -13.601 -5.619 8 296 2225 864 2492 Gatekeeper Selective 9679 1JHJ SER 117 E -10.419 13.35 -14.066 -5.846 8 299 2314 927 2658 Gatekeeper Selective 9680 1JHJ GLY 118 E -10.36 13.728 -13.43 -5.527 7 326 2452 987 2748 Gatekeeper Selective 9681 1JHJ TRP 119 E -11.075 16.996 -10.244 -3.678 7 393 2793 1072 2792 Gatekeeper Selective 9682 1JHJ ILE 120 E -9.663 15.338 -7.968 -3.112 4 464 2978 1151 2785 Selective Selective 9683 1JHJ HIS 121 E -9.288 15.418 -10.036 -4.672 7 481 2955 1223 2775 Selective Selective 9684 1JHJ VAL 122 E -8.228 14.934 -10.874 -6.473 7 491 3000 1304 2713 Selective Selective 9685 1JHJ PRO 123 E -7.822 13.664 -11.408 -6.432 7 513 3045 1366 2621 Selective Selective 9686 1JHJ LEU 124 C -6.343 9.534 -8.179 -4.115 4 530 2837 1462 2536 Selective Selective 9687 1JHJ THR 125 B -3.181 4.046 -5.617 -3.368 1 583 2606 1557 2469 Selective Selective 9688 1JHJ ASP 126 T -0.795 2.394 -4.372 -3.707 1 584 2289 1627 2385 Selective Selective 9689 1JHJ ASN 127 T -0.609 3.195 -4.514 -3.906 1 573 2023 1680 2300 Selective Selective 9690 1JHJ HIS 128 T -0.608 3.2 -4.518 -3.907 1 558 1657 1711 2177 Selective Selective 9691 1JHJ LYS 129 T -0.608 3.2 -4.517 -3.907 1 606 1354 1702 2086 Selective Selective 9692 1JHJ LYS 130 C -0.622 3.14 -4.435 -3.871 1 698 1316 1653 2032 Selective Selective 9693 1JHJ PRO 131 B -1.666 4.273 -2.983 -2.804 1 809 1259 1588 1986 Selective Selective 9694 1JHJ THR 132 C -5.059 6.859 -6.257 -2.954 1 756 861 1491 1919 Selective Selective 9695 1JHJ ARG 133 E -6.522 9.384 -7.854 -3.643 4 784 631 1384 1848 Permissive Selective 9696 1JHJ THR 134 E -8.104 11.387 -11.61 -5.695 5 861 563 1276 1760 Permissive Selective 9697 1JHJ PHE 135 E -10.92 15.01 -14.423 -6.482 8 1007 532 1168 1724 Permissive Selective 9698 1JHJ MET 136 E -12.662 16.232 -14.493 -4.879 8 1087 520 1088 1618 Permissive Selective 9699 1JHJ ILE 137 E -12.343 16.757 -12.542 -4.085 7 1124 645 975 1476 Permissive Selective 9700 1JHJ GLN 138 E -12.23 16.435 -12.459 -3.97 7 1149 741 853 1326 Permissive Gatekeeper 9701 1JHJ ILE 139 E -10.125 14.203 -8.656 -2.87 7 1257 900 748 1151 Selective Gatekeeper 9702 1JHJ ALA 140 E -10.007 13.635 -9.317 -3.003 4 1296 967 655 956 Selective Gatekeeper 9703 1JHJ VAL 141 E -9.997 13.597 -9.428 -3.039 4 1355 1008 577 785 Selective Gatekeeper 9704 1JHJ LEU 142 E -9.995 13.501 -9.522 -3.066 4 1374 1002 559 630 Selective Inactive 9705 1JHJ ALA 143 E -9.72 10.509 -11.677 -3.567 5 1455 1009 568 518 Selective Inactive 9706 1JHJ ASN 144 E -8.334 5.371 -13.37 -4.669 5 1492 974 620 513 Selective Inactive 9707 1JHJ HIS 145 T -8.287 5.293 -13.485 -4.641 5 1500 965 699 697 Selective Gatekeeper 9708 1JHJ GLN 146 T -8.19 5.209 -13.819 -4.697 5 1506 971 769 911 Selective Gatekeeper 9709 1JHJ ASN 147 T -8.163 5.24 -13.867 -4.684 5 1559 978 851 1179 Selective Gatekeeper 9710 1JHJ GLY 148 T -8.179 5.232 -13.827 -4.692 5 1450 877 918 1444 Selective Selective 9711 1JHJ ARG 149 C -8.961 5.083 -15.266 -4.697 6 1415 766 994 1784 Permissive Selective 9712 1JHJ ASP 150 C -9.146 5.069 -15.516 -4.872 6 - - - - - - 9713 1JHJ THR 151 C -9.999 5.986 -14.939 -4.413 6 - - - - - - 9714 1JHJ HIS 152 E -14.151 9.393 -18.697 -4.565 6 - - - - - - 9715 1JHJ MET 153 E -15.582 13.924 -18.74 -4.924 8 - - - - - - 9716 1JHJ ARG 154 C -16.696 16.796 -20.323 -5.695 8 - - - - - - 9717 1JHJ GLN 155 E -17.15 17.985 -20.651 -5.9 8 - - - - - - 9718 1JHJ ILE 156 E -15.216 25.053 -15.426 -7.098 8 - - - - - - 9719 1JHJ LYS 157 E -13.174 21.147 -12.872 -5.725 8 - - - - - - 9720 1JHJ ILE 158 E -9.233 16.418 -6.851 -3.356 4 - - - - - - 9721 1JHJ TYR 159 E -7.16 12.149 -5.552 -2.591 4 - - - - - - 9722 1JHJ THR 160 E -7.16 12.149 -5.552 -2.591 4 - - - - - - 9723 1JHJ PRO 161 E -7.16 12.149 -5.552 -2.591 4 - - - - - - 9724 1JHJ VAL 162 C -7.16 12.149 -5.552 -2.591 4 - - - - - - 9725 1JK3 GLY 106 C -4.99 9.132 -6.815 -3.565 2 - - - - - - 9726 1JK3 PRO 107 C -4.99 9.132 -6.815 -3.565 2 - - - - - - 9727 1JK3 VAL 108 C -4.99 9.132 -6.815 -3.565 2 - - - - - - 9728 1JK3 TRP 109 C -4.99 9.132 -6.815 -3.565 2 - - - - - - 9729 1JK3 ARG 110 C -4.876 9.285 -6.842 -3.713 2 - - - - - - 9730 1JK3 LYS 111 C -5.405 9.814 -7.509 -4.082 2 - - - - - - 9731 1JK3 HIS 112 C -5.479 9.745 -7.302 -4.011 2 - - - - - - 9732 1JK3 TYR 113 E -5.5 9.676 -7.192 -3.962 2 - - - - - - 9733 1JK3 ILE 114 E -5.511 9.603 -7.12 -3.918 2 - - - - - - 9734 1JK3 THR 115 E -8.071 11.187 -10.716 -4.769 4 - - - - - - 9735 1JK3 TYR 116 E -10.458 15.864 -11.65 -5.009 7 - - - - - - 9736 1JK3 ARG 117 E -12.197 16.167 -15.211 -5.446 8 - - - - - - 9737 1JK3 ILE 118 E -10.348 14.653 -13.037 -5.662 7 1044 1210 1211 869 Inactive Permissive 9738 1JK3 ASN 119 C -9.673 12.566 -13.452 -5.524 6 886 756 1171 854 Inactive Inactive 9739 1JK3 ASN 120 C -9.639 12.479 -13.58 -5.523 6 755 584 1126 844 Inactive Inactive 9740 1JK3 TYR 121 C -9.489 12.894 -13.463 -5.549 7 517 533 1082 828 Inactive Inactive 9741 1JK3 THR 122 T -8.214 9.735 -12.565 -5.252 5 280 551 1018 782 Inactive Inactive 9742 1JK3 PRO 123 T -8.045 9.569 -12.547 -5.12 5 183 591 968 779 Inactive Inactive 9743 1JK3 ASP 124 T -7.932 9.477 -12.579 -5.092 5 180 544 927 814 Inactive Inactive 9744 1JK3 MET 125 T -6.766 9.29 -10.572 -4.937 3 142 443 878 919 Inactive Inactive 9745 1JK3 ASN 126 C -6.255 9.653 -9.546 -4.59 4 144 383 816 1019 Inactive Inactive 9746 1JK3 ARG 127 H -6.272 9.669 -9.458 -4.569 4 144 351 772 1189 Inactive Inactive 9747 1JK3 GLU 128 H -6.279 9.677 -9.428 -4.569 4 138 322 734 1381 Inactive Gatekeeper 9748 1JK3 ASP 129 H -6.286 9.681 -9.384 -4.563 4 132 257 693 1577 Inactive Gatekeeper 9749 1JK3 VAL 130 H -6.572 9.945 -8.849 -4.346 4 147 211 649 1739 Inactive Gatekeeper 9750 1JK3 ASP 131 H -9.226 11.801 -12.84 -4.945 7 166 198 630 1938 Inactive Gatekeeper 9751 1JK3 TYR 132 H -9.554 12.336 -13.137 -5.165 7 186 166 622 2120 Inactive Gatekeeper 9752 1JK3 ALA 133 H -10.298 14.066 -13.059 -4.723 7 201 148 605 2261 Inactive Gatekeeper 9753 1JK3 ILE 134 H -10.497 14.489 -12.746 -4.551 7 244 224 607 2373 Inactive Gatekeeper 9754 1JK3 ARG 135 H -10.749 13.528 -13.572 -4.539 7 261 249 620 2479 Inactive Gatekeeper 9755 1JK3 LYS 136 H -10.836 13.586 -13.536 -4.54 7 297 252 633 2563 Inactive Gatekeeper 9756 1JK3 ALA 137 H -11.302 14.476 -13.705 -4.61 7 311 382 641 2618 Inactive Gatekeeper 9757 1JK3 PHE 138 H -11.728 14.916 -14.185 -4.882 7 333 517 675 2591 Inactive Gatekeeper 9758 1JK3 GLN 139 H -11.789 14.27 -14.533 -4.917 8 335 529 720 2527 Inactive Gatekeeper 9759 1JK3 VAL 140 H -11.503 14.206 -13.66 -4.614 7 341 557 756 2345 Inactive Gatekeeper 9760 1JK3 TRP 141 H -10.405 14.268 -12.598 -4.982 7 344 575 801 2139 Inactive Gatekeeper 9761 1JK3 SER 142 H -8.727 9.832 -11.958 -4.453 5 337 580 847 1916 Inactive Gatekeeper 9762 1JK3 ASN 143 H -7.937 11.604 -10.226 -4.386 4 351 617 886 1746 Inactive Gatekeeper 9763 1JK3 VAL 144 C -7.894 11.721 -10.275 -4.391 4 358 619 921 1559 Inactive Gatekeeper 9764 1JK3 THR 145 C -7.849 12.102 -10.215 -4.43 4 348 617 957 1379 Inactive Gatekeeper 9765 1JK3 PRO 146 C -7.847 12.129 -10.201 -4.425 4 341 618 1013 1236 Inactive Inactive 9766 1JK3 LEU 147 C -7.988 12.838 -9.745 -4.429 4 302 524 1051 1096 Inactive Inactive 9767 1JK3 LYS 148 E -8.903 15.269 -10.52 -4.781 7 259 443 1120 977 Inactive Inactive 9768 1JK3 PHE 149 E -8.762 15.24 -10.649 -5.07 7 252 402 1181 849 Inactive Permissive 9769 1JK3 SER 150 E -6.474 7.857 -10.183 -4.62 3 285 285 1226 737 Inactive Permissive 9770 1JK3 LYS 151 E -4.636 6.38 -9.09 -4.943 2 475 243 1282 654 Inactive Permissive 9771 1JK3 ILE 152 C -4.328 5.292 -9.53 -4.79 2 679 357 1336 585 Inactive Permissive 9772 1JK3 ASN 153 C -4.017 4.94 -9.469 -4.695 2 953 492 1410 592 Inactive Permissive 9773 1JK3 THR 154 C -4.008 4.938 -9.502 -4.694 2 1128 571 1479 615 Permissive Permissive 9774 1JK3 GLY 155 C -4.017 4.898 -9.495 -4.695 2 1273 712 1549 647 Permissive Permissive 9775 1JK3 MET 156 C -4.259 4.18 -9.718 -4.558 2 1360 692 1614 657 Permissive Permissive 9776 1JK3 ALA 157 T -4.525 4.454 -9.459 -4.553 2 1558 850 1677 682 Permissive Permissive 9777 1JK3 ASP 158 T -6.46 5.201 -11.725 -4.617 3 1806 1027 1723 708 Permissive Permissive 9778 1JK3 ILE 159 E -7.958 8.308 -12.005 -4.652 5 1955 1277 1747 707 Permissive Permissive 9779 1JK3 LEU 160 E -9.718 11.567 -12.507 -4.476 7 2031 1381 1778 732 Selective Permissive 9780 1JK3 VAL 161 E -11.065 15.451 -12.718 -4.317 7 2062 1416 1765 730 Selective Permissive 9781 1JK3 VAL 162 E -11.247 15.159 -13.178 -4.276 7 2082 1513 1733 720 Selective Permissive 9782 1JK3 PHE 163 E -10.132 12.183 -12.675 -4.377 7 2028 1537 1700 698 Selective Permissive 9783 1JK3 ALA 164 E -8.689 8.046 -13.227 -4.556 5 1832 1449 1619 655 Selective Permissive 9784 1JK3 ARG 165 T -6.108 5.793 -10.684 -4.532 3 1644 1322 1550 639 Permissive Permissive 9785 1JK3 GLY 166 T -5.406 5.351 -10.677 -4.713 3 1482 1241 1458 592 Permissive Permissive 9786 1JK3 ALA 167 T -4.372 5.136 -9.308 -4.637 2 1480 1285 1363 542 Permissive Permissive 9787 1JK3 HIS 168 T -4.236 5.37 -9.383 -4.694 2 1430 1294 1260 496 Permissive Permissive 9788 1JK3 GLY 169 C -3.861 5.418 -8.908 -4.578 2 1422 1515 1163 461 Selective Inactive 9789 1JK3 ASP 170 T -3.873 5.422 -8.869 -4.578 2 1329 1734 1063 420 Selective Inactive 9790 1JK3 PHE 171 T -3.905 5.439 -8.769 -4.566 2 1286 1996 980 386 Selective Inactive 9791 1JK3 HIS 172 T -4.184 5.646 -8.612 -4.529 2 1235 1990 924 375 Selective Inactive 9792 1JK3 ALA 173 T -4.306 5.498 -8.368 -4.44 2 1306 2439 887 358 Selective Inactive 9793 1JK3 PHE 174 C -7.353 11.419 -10.229 -4.661 4 1326 2883 861 364 Selective Inactive 9794 1JK3 ASP 175 C -5.519 1.585 -12.625 -4.9 3 1504 3807 855 374 Selective Inactive 9795 1JK3 GLY 176 C -5.284 1.931 -12.421 -4.777 3 1811 5081 855 387 Selective Inactive 9796 1JK3 LYS 177 C -5.204 2.401 -12.235 -4.733 3 1940 6051 887 395 Selective Inactive 9797 1JK3 GLY 178 T -4.941 4.419 -10.873 -4.579 3 2186 7484 911 393 Selective Inactive 9798 1JK3 GLY 179 T -4.936 4.484 -10.856 -4.577 3 2230 8603 925 394 Selective Inactive 9799 1JK3 ILE 180 T -5.207 6.26 -9.817 -4.386 2 2434 9992 935 376 Selective Inactive 9800 1JK3 LEU 181 T -5.412 7.691 -8.924 -4.328 2 2793 11607 942 356 Selective Inactive 9801 1JK3 ALA 182 E -5.53 8.148 -8.475 -4.305 2 3073 13110 943 340 Selective Inactive 9802 1JK3 HIS 183 E -7.547 11.379 -9.766 -4.399 4 3340 14462 951 322 Selective Inactive 9803 1JK3 ALA 184 E -7.771 11.898 -9.747 -4.239 4 3492 15768 958 311 Selective Inactive 9804 1JK3 PHE 185 E -7.693 11.351 -10.013 -4.216 4 3831 17403 966 310 Selective Inactive 9805 1JK3 GLY 186 C -5.103 5.493 -8.895 -4.021 2 4301 18607 959 315 Selective Inactive 9806 1JK3 PRO 187 C -4.719 5.438 -8.677 -3.829 2 4648 19319 974 357 Selective Inactive 9807 1JK3 GLY 188 C -3.891 3.88 -8.751 -4.066 2 4698 18771 1002 488 Selective Inactive 9808 1JK3 SER 189 T -3.809 3.955 -8.83 -4.072 2 4588 17594 1033 712 Selective Inactive 9809 1JK3 GLY 190 T -3.807 3.959 -8.843 -4.074 2 4540 16880 1082 1060 Selective Inactive 9810 1JK3 ILE 191 T -3.877 3.776 -8.836 -4.08 2 4392 15704 1122 1479 Selective Gatekeeper 9811 1JK3 GLY 192 T -3.949 3.565 -8.885 -4.139 2 4368 14723 1185 1982 Selective Selective 9812 1JK3 GLY 193 T -5.001 4.538 -9.437 -4.118 2 4037 13261 1248 2494 Selective Selective 9813 1JK3 ASP 194 E -7.061 5.416 -12.29 -4.606 3 3596 11491 1327 3025 Selective Selective 9814 1JK3 ALA 195 E -8.938 7.974 -13.148 -4.405 5 3235 9754 1411 3491 Selective Selective 9815 1JK3 HIS 196 E -11.269 10.053 -15.847 -4.985 6 2882 8105 1496 4016 Selective Selective 9816 1JK3 PHE 197 E -12.964 15.27 -15.196 -4.983 8 2655 6562 1571 4481 Selective Selective 9817 1JK3 ASP 198 E -14.955 16.073 -18.565 -5.437 8 2568 4761 1633 4850 Selective Selective 9818 1JK3 GLU 199 T -15.548 15.598 -20.457 -6.012 8 2333 3177 1691 5101 Selective Selective 9819 1JK3 ASP 200 T -15.554 15.14 -21.293 -6.439 8 2129 2072 1706 5203 Selective Selective 9820 1JK3 GLU 201 T -14.471 16.511 -18.409 -6.189 8 2070 1866 1718 5201 Selective Selective 9821 1JK3 PHE 202 C -12.053 14.441 -14.729 -5.241 8 2208 2218 1750 5075 Selective Selective 9822 1JK3 TRP 203 E -10.995 13.605 -13.913 -5.107 7 2271 2056 1769 4796 Selective Selective 9823 1JK3 THR 204 E -6.575 7.052 -10.797 -4.712 3 2413 1857 1774 4457 Selective Selective 9824 1JK3 THR 205 C -4.837 5.914 -9.444 -4.814 2 2579 1758 1784 4046 Selective Selective 9825 1JK3 HIS 206 C -4.726 6.039 -9.583 -4.834 2 2768 1780 1782 3668 Selective Selective 9826 1JK3 SER 207 C -4.723 6.048 -9.601 -4.836 2 3097 1975 1745 3321 Selective Selective 9827 1JK3 GLY 208 C -4.723 6.049 -9.602 -4.837 2 3436 2199 1700 3057 Selective Selective 9828 1JK3 GLY 209 C -4.75 6.003 -9.547 -4.842 2 3529 2236 1647 2768 Selective Selective 9829 1JK3 THR 210 E -5.755 6.685 -10.339 -4.94 3 3440 2038 1592 2562 Selective Selective 9830 1JK3 ASN 211 E -7.781 7.798 -12.887 -5.347 3 3131 1965 1503 2440 Selective Selective 9831 1JK3 LEU 212 H -9.792 10.842 -14.032 -5.466 6 2870 1808 1414 2378 Selective Selective 9832 1JK3 PHE 213 H -11.47 18.328 -11.942 -4.626 7 2730 1754 1328 2412 Selective Selective 9833 1JK3 LEU 214 H -11.146 16.427 -12.103 -4.326 7 2507 1478 1229 2449 Selective Selective 9834 1JK3 THR 215 H -10.434 13.839 -12.096 -4.09 7 2159 1049 1146 2517 Permissive Gatekeeper 9835 1JK3 ALA 216 H -10.322 13.956 -12.007 -4.023 7 1987 953 1055 2625 Permissive Gatekeeper 9836 1JK3 VAL 217 H -10.218 13.762 -12.13 -4.036 7 1718 891 1006 2709 Permissive Gatekeeper 9837 1JK3 HIS 218 H -10.236 13.42 -12.307 -4.044 7 1412 772 958 2750 Permissive Gatekeeper 9838 1JK3 ALA 219 H -10.277 13.292 -12.371 -4.054 7 1178 712 937 2739 Permissive Gatekeeper 9839 1JK3 ILE 220 H -10.684 13.937 -12.829 -4.184 7 836 698 947 2648 Inactive Gatekeeper 9840 1JK3 GLY 221 H -10.773 12.979 -13.932 -4.55 7 476 656 968 2517 Inactive Gatekeeper 9841 1JK3 HIS 222 H -11.121 12.458 -15.123 -4.881 7 343 713 997 2324 Inactive Gatekeeper 9842 1JK3 SER 223 H -9.565 11.848 -12.578 -4.888 7 302 1012 1015 2098 Inactive Gatekeeper 9843 1JK3 LEU 224 H -7.607 12.181 -9.617 -4.767 4 254 1230 1080 1869 Inactive Gatekeeper 9844 1JK3 GLY 225 C -7.092 10.42 -10.554 -4.943 4 201 1544 1156 1701 Gatekeeper Gatekeeper 9845 1JK3 LEU 226 C -7.011 10.261 -10.691 -4.897 4 160 1887 1247 1568 Gatekeeper Selective 9846 1JK3 GLY 227 C -6.564 8.74 -10.945 -4.834 3 183 2295 1331 1473 Gatekeeper Selective 9847 1JK3 HIS 228 C -6.459 8.739 -10.903 -4.768 3 190 2454 1398 1399 Gatekeeper Selective 9848 1JK3 SER 229 C -6.388 7.842 -11.157 -4.651 3 203 2673 1452 1325 Gatekeeper Selective 9849 1JK3 SER 230 C -5.597 7.962 -8.916 -4.144 2 228 2977 1475 1261 Gatekeeper Selective 9850 1JK3 ASP 231 T -5.572 8.027 -8.93 -4.14 2 247 3263 1494 1237 Gatekeeper Permissive 9851 1JK3 PRO 232 T -5.633 8.1 -8.686 -4.07 2 259 3389 1497 1228 Gatekeeper Permissive 9852 1JK3 LYS 233 T -5.659 8.068 -8.596 -4.054 2 263 3207 1487 1244 Gatekeeper Selective 9853 1JK3 ALA 234 T -5.701 8.166 -8.401 -4.038 2 274 3030 1477 1266 Gatekeeper Selective 9854 1JK3 VAL 235 T -7.307 9.506 -9.806 -4.168 4 281 2848 1454 1312 Gatekeeper Selective 9855 1JK3 MET 236 T -9.782 12.086 -12.681 -4.62 7 277 2548 1465 1347 Gatekeeper Selective 9856 1JK3 PHE 237 T -9.366 13.209 -11.094 -4.42 7 281 2337 1477 1373 Gatekeeper Selective 9857 1JK3 PRO 238 C -8.864 14.477 -10.699 -4.808 7 214 2033 1485 1364 Gatekeeper Selective 9858 1JK3 THR 239 C -8.727 14.555 -10.748 -4.83 7 196 1658 1484 1324 Gatekeeper Selective 9859 1JK3 TYR 240 C -8.725 14.609 -10.771 -4.863 7 174 1254 1484 1255 Inactive Selective 9860 1JK3 LYS 241 C -8.296 14.216 -10.818 -5.042 7 163 1039 1441 1147 Inactive Permissive 9861 1JK3 TYR 242 C -6.215 11.444 -8.081 -4.671 4 160 820 1394 1036 Inactive Permissive 9862 1JK3 VAL 243 C -4.611 6.98 -7.581 -3.997 2 140 514 1346 931 Inactive Permissive 9863 1JK3 ASP 244 T -4.538 7.44 -7.542 -4.034 2 125 227 1293 823 Inactive Permissive 9864 1JK3 ILE 245 T -4.429 8.05 -7.275 -3.975 2 111 74 1249 720 Inactive Permissive 9865 1JK3 ASN 246 T -4.347 8.82 -6.956 -3.97 2 111 76 1220 635 Inactive Permissive 9866 1JK3 THR 247 T -4.372 8.713 -6.911 -3.94 2 99 68 1195 571 Inactive Permissive 9867 1JK3 PHE 248 T -4.949 12.099 -5.864 -3.922 2 103 72 1177 522 Inactive Inactive 9868 1JK3 ARG 249 C -5.105 12.444 -5.454 -3.805 2 96 67 1144 490 Inactive Inactive 9869 1JK3 LEU 250 C -5.544 13.957 -4.911 -3.943 4 88 55 1096 477 Inactive Inactive 9870 1JK3 SER 251 C -8.08 13.868 -9.518 -4.282 4 - - - - - - 9871 1JK3 ALA 252 H -8.405 13.095 -10.175 -4.339 4 - - - - - - 9872 1JK3 ASP 253 H -9.125 9.289 -12.907 -4.465 5 - - - - - - 9873 1JK3 ASP 254 H -10.531 8.332 -16.304 -4.719 6 - - - - - - 9874 1JK3 ILE 255 H -10.427 8.634 -15.818 -4.537 6 - - - - - - 9875 1JK3 ARG 256 H -10.5 8.669 -15.654 -4.469 6 - - - - - - 9876 1JK3 GLY 257 H -10.677 11.227 -15.205 -4.964 6 - - - - - - 9877 1JK3 ILE 258 H -10.567 14.453 -13.748 -5.294 7 - - - - - - 9878 1JK3 GLN 259 H -9.895 13.604 -12.678 -4.98 7 - - - - - - 9879 1JK3 SER 260 H -8.256 11.666 -9.478 -3.744 4 - - - - - - 9880 1JK3 LEU 261 H -8.256 11.666 -9.478 -3.744 4 - - - - - - 9881 1JK3 TYR 262 C -8.256 11.666 -9.478 -3.744 4 - - - - - - 9882 1JK3 GLY 263 C -8.256 11.666 -9.478 -3.744 4 - - - - - - 9883 1JSF LYS 1 C -8.806 8.918 -11.891 -4.075 5 - - - - - - 9884 1JSF VAL 2 B -8.806 8.918 -11.891 -4.075 5 - - - - - - 9885 1JSF PHE 3 C -8.806 8.918 -11.891 -4.075 5 - - - - - - 9886 1JSF GLU 4 C -8.806 8.918 -11.891 -4.075 5 - - - - - - 9887 1JSF ARG 5 H -12.223 11.182 -16.799 -5.201 8 - - - - - - 9888 1JSF CYS 6 H -12.613 11.357 -17.208 -5.055 8 - - - - - - 9889 1JSF GLU 7 H -11.923 12.911 -15.433 -4.908 8 - - - - - - 9890 1JSF LEU 8 H -11.647 13.939 -14.601 -4.736 7 - - - - - - 9891 1JSF ALA 9 H -11.579 14.053 -14.628 -4.739 7 - - - - - - 9892 1JSF ARG 10 H -10.248 12.467 -12.409 -4.211 7 - - - - - - 9893 1JSF THR 11 H -8.712 13.09 -9.851 -4.128 4 - - - - - - 9894 1JSF LEU 12 H -8.076 11.707 -10.281 -4.234 4 - - - - - - 9895 1JSF LYS 13 H -7.77 11.079 -10.712 -4.412 4 178 15 806 1098 Inactive Inactive 9896 1JSF ARG 14 H -7.582 10.866 -10.873 -4.476 4 144 21 797 1017 Inactive Inactive 9897 1JSF LEU 15 H -7.523 10.757 -11.083 -4.566 4 96 24 811 916 Inactive Inactive 9898 1JSF GLY 16 C -7.585 10.437 -11.368 -4.664 4 41 31 854 813 Inactive Inactive 9899 1JSF MET 17 T -7.785 10.216 -11.717 -4.816 5 25 34 923 712 Inactive Inactive 9900 1JSF ASP 18 T -7.526 9.391 -12.178 -5.207 5 30 59 1000 728 Inactive Inactive 9901 1JSF GLY 19 T -6.984 9.498 -11.072 -5.05 3 31 70 1087 984 Inactive Inactive 9902 1JSF TYR 20 G -7.006 9.486 -11.001 -5.038 3 37 82 1156 1369 Inactive Selective 9903 1JSF ARG 21 G -7.006 9.483 -10.982 -5.023 3 53 85 1228 1830 Inactive Selective 9904 1JSF GLY 22 G -6.992 9.514 -10.992 -5.001 3 79 104 1309 2367 Inactive Selective 9905 1JSF ILE 23 C -7.165 9.734 -10.551 -4.872 3 99 109 1375 2990 Inactive Selective 9906 1JSF SER 24 C -8.918 10.873 -12.017 -4.289 5 120 110 1462 3683 Inactive Selective 9907 1JSF LEU 25 H -9.005 10.88 -11.78 -4.202 5 144 123 1549 4602 Inactive Selective 9908 1JSF ALA 26 H -9.218 10.884 -11.484 -4.106 4 153 127 1641 5790 Inactive Selective 9909 1JSF ASN 27 H -11.893 13.562 -14.175 -4.418 7 177 134 1738 6975 Inactive Selective 9910 1JSF TRP 28 H -13.075 17.776 -14.955 -5.196 8 205 134 1827 8018 Inactive Selective 9911 1JSF MET 29 H -12.429 16.171 -14.883 -5.455 8 205 125 1881 8840 Inactive Selective 9912 1JSF CYS 30 H -11.931 15.321 -14.903 -5.423 8 202 123 1917 9401 Inactive Selective 9913 1JSF LEU 31 H -11.719 15.765 -14.653 -5.428 8 195 98 1925 9678 Inactive Selective 9914 1JSF ALA 32 H -11.613 15.511 -14.924 -5.49 8 192 89 1927 9728 Inactive Selective 9915 1JSF LYS 33 H -10.256 12.452 -14.838 -6.098 8 185 78 1933 9618 Inactive Selective 9916 1JSF TRP 34 H -10.267 12.388 -14.85 -6.115 8 179 85 1923 9367 Inactive Selective 9917 1JSF GLU 35 H -10.274 12.335 -14.896 -6.143 8 150 69 1892 8977 Inactive Selective 9918 1JSF SER 36 H -10.266 12.245 -14.975 -6.152 8 130 80 1852 8439 Inactive Selective 9919 1JSF GLY 37 T -10.258 12.211 -14.983 -6.125 8 112 97 1797 7810 Inactive Selective 9920 1JSF TYR 38 T -11.511 13.13 -16.166 -5.554 8 90 93 1716 6908 Inactive Selective 9921 1JSF ASN 39 B -8.018 9.77 -10.706 -4.292 4 87 103 1623 5723 Inactive Selective 9922 1JSF THR 40 T -7.777 9.224 -11.209 -4.328 5 64 92 1523 4534 Inactive Selective 9923 1JSF ARG 41 T -7.423 9.35 -11.081 -4.4 5 40 99 1433 3523 Inactive Selective 9924 1JSF ALA 42 T -7.417 9.344 -11.127 -4.41 5 49 111 1361 2794 Inactive Selective 9925 1JSF THR 43 E -7.307 9.058 -11.502 -4.534 5 52 126 1330 2418 Inactive Selective 9926 1JSF ASN 44 E -7.122 6.922 -12.773 -4.904 3 53 160 1339 2423 Inactive Selective 9927 1JSF TYR 45 E -7.047 6.239 -13.272 -5.047 3 69 219 1355 2645 Inactive Selective 9928 1JSF ASN 46 E -6.815 4.316 -13.831 -4.986 3 82 298 1401 3035 Inactive Selective 9929 1JSF ALA 47 T -6.614 4.526 -13.559 -4.918 3 84 338 1465 3621 Inactive Selective 9930 1JSF GLY 48 T -6.642 4.373 -13.583 -4.909 3 90 356 1523 4373 Gatekeeper Selective 9931 1JSF ASP 49 T -6.787 4.199 -13.539 -4.833 3 99 345 1587 5302 Gatekeeper Selective 9932 1JSF ARG 50 T -6.877 4.178 -13.331 -4.751 3 108 330 1664 6358 Inactive Selective 9933 1JSF SER 51 E -7.334 5.133 -12.965 -4.768 3 115 323 1778 7563 Inactive Selective 9934 1JSF THR 52 E -9.604 7.211 -15.549 -5.398 6 194 323 1914 8956 Inactive Selective 9935 1JSF ASP 53 E -12.723 13.47 -18.186 -5.989 8 326 413 2043 10344 Selective Selective 9936 1JSF TYR 54 E -12.808 14.897 -17.271 -5.881 8 484 560 2148 11601 Selective Selective 9937 1JSF GLY 55 T -12.561 16.373 -15.976 -5.701 8 662 752 2262 12690 Selective Selective 9938 1JSF ILE 56 T -12.703 17.667 -15.149 -5.571 8 972 1100 2337 13560 Selective Selective 9939 1JSF PHE 57 T -12.917 19.009 -14.37 -5.508 8 1324 1422 2394 14119 Selective Selective 9940 1JSF GLN 58 T -13.053 18.941 -14.234 -5.482 8 1779 1540 2437 14358 Selective Selective 9941 1JSF ILE 59 E -13.101 18.543 -14.275 -5.422 8 2235 2017 2443 14302 Selective Selective 9942 1JSF ASN 60 E -14.699 15.769 -19.063 -5.86 8 2958 2995 2425 13964 Selective Selective 9943 1JSF SER 61 T -14.929 13.425 -20.647 -5.896 8 3723 4111 2399 13351 Selective Selective 9944 1JSF ARG 62 T -14.886 13.392 -20.661 -5.885 8 4505 5404 2361 12512 Selective Selective 9945 1JSF TYR 63 T -14.387 14.167 -19.919 -6.128 8 5153 6653 2290 11492 Selective Selective 9946 1JSF TRP 64 T -11.722 11.034 -17.154 -6.078 8 5626 7766 2177 10310 Selective Selective 9947 1JSF CYS 65 C -8.85 5.09 -16.206 -5.77 6 6024 8866 2036 8926 Selective Selective 9948 1JSF ASN 66 B -6.803 6.418 -12.742 -5.642 3 6290 9730 1897 7533 Selective Selective 9949 1JSF ASP 67 T -6.617 6.437 -12.792 -5.549 3 6400 10353 1760 6222 Selective Selective 9950 1JSF GLY 68 T -5.941 5.687 -11.998 -5.212 3 6425 10844 1593 4996 Selective Selective 9951 1JSF LYS 69 T -5.772 6.015 -11.718 -5.09 3 6237 10894 1431 3856 Selective Selective 9952 1JSF THR 70 T -5.202 6.181 -10.042 -4.48 2 6065 10959 1262 2818 Selective Selective 9953 1JSF PRO 71 T -5.221 6.159 -9.92 -4.394 2 5737 11137 1087 1955 Selective Gatekeeper 9954 1JSF GLY 72 T -5.223 6.159 -9.881 -4.368 2 5302 10638 915 1279 Selective Inactive 9955 1JSF ALA 73 T -5.357 6.369 -9.441 -4.194 2 4611 9631 756 772 Selective Inactive 9956 1JSF VAL 74 C -5.425 6.27 -9.297 -4.124 2 3854 8502 611 448 Selective Inactive 9957 1JSF ASN 75 T -6.791 6.245 -11.871 -4.294 3 3101 7210 482 237 Selective Inactive 9958 1JSF ALA 76 T -7.138 6.452 -12.295 -4.365 5 2487 5972 379 105 Selective Inactive 9959 1JSF CYS 77 T -7.518 6.31 -13.138 -4.536 5 2035 4866 308 43 Selective Inactive 9960 1JSF HIS 78 T -7.531 6.256 -13.135 -4.531 5 1571 3752 260 18 Selective Inactive 9961 1JSF LEU 79 C -8.011 7.075 -13.619 -4.693 5 1178 2797 226 7 Selective Inactive 9962 1JSF SER 80 B -8.186 6.86 -13.739 -4.65 5 938 2024 195 4 Selective Inactive 9963 1JSF CYS 81 G -8.6 6.738 -14.387 -4.759 5 737 1338 186 3 Selective Inactive 9964 1JSF SER 82 G -9.342 8.454 -14.187 -4.301 5 643 938 175 6 Selective Inactive 9965 1JSF ALA 83 G -9.518 9.291 -13.845 -4.321 5 488 526 164 8 Selective Inactive 9966 1JSF LEU 84 G -9.658 10.459 -13.75 -4.529 5 371 192 162 11 Permissive Inactive 9967 1JSF LEU 85 C -8.375 9.783 -11.999 -4.75 5 341 165 184 13 Permissive Inactive 9968 1JSF GLN 86 T -7.89 9.025 -11.982 -4.655 5 318 190 207 23 Permissive Inactive 9969 1JSF ASP 87 T -7.14 9.443 -10.779 -4.614 5 314 195 255 36 Permissive Inactive 9970 1JSF ASN 88 T -6.997 9.685 -10.614 -4.527 4 293 201 320 65 Permissive Inactive 9971 1JSF ILE 89 H -6.988 9.758 -10.587 -4.513 4 259 202 386 96 Inactive Inactive 9972 1JSF ALA 90 H -7.032 9.765 -10.488 -4.476 4 239 194 457 126 Inactive Inactive 9973 1JSF ASP 91 H -7.114 9.963 -10.273 -4.46 4 225 201 514 145 Inactive Inactive 9974 1JSF ALA 92 H -7.789 10.731 -10.246 -4.154 4 221 208 562 156 Inactive Inactive 9975 1JSF VAL 93 H -8.779 11.395 -11.355 -3.931 4 196 210 608 163 Inactive Inactive 9976 1JSF ALA 94 H -9.086 9.994 -12.333 -3.947 5 189 212 644 163 Inactive Inactive 9977 1JSF CYS 95 H -9.61 10.194 -13.133 -4.187 5 158 213 679 165 Inactive Inactive 9978 1JSF ALA 96 H -9.946 10.176 -13.093 -4.077 5 131 211 722 175 Inactive Inactive 9979 1JSF LYS 97 H -10.92 10.169 -14.703 -4.599 6 111 221 803 185 Inactive Inactive 9980 1JSF ARG 98 H -12.714 13.049 -16.346 -4.66 8 115 288 855 209 Inactive Inactive 9981 1JSF VAL 99 H -10.74 10.339 -14.047 -4.309 7 120 347 893 213 Gatekeeper Inactive 9982 1JSF VAL 100 H -10.436 9.194 -15.023 -4.547 6 162 572 907 206 Gatekeeper Inactive 9983 1JSF ARG 101 H -9.589 6.087 -16.244 -5.094 6 213 804 900 192 Gatekeeper Inactive 9984 1JSF ASP 102 T -8.3 7.433 -13.338 -4.837 5 299 1057 891 176 Selective Inactive 9985 1JSF PRO 103 T -8.09 8.101 -12.971 -4.756 5 419 1295 883 166 Selective Inactive 9986 1JSF GLN 104 T -8.065 8.22 -12.96 -4.758 5 602 1437 899 176 Selective Inactive 9987 1JSF GLY 105 G -8.069 8.234 -12.935 -4.758 5 888 1743 918 214 Selective Inactive 9988 1JSF ILE 106 G -8.104 8.434 -12.706 -4.726 5 1311 2182 936 256 Selective Inactive 9989 1JSF ARG 107 G -8.704 9.892 -12.256 -4.589 5 1786 2576 957 306 Selective Inactive 9990 1JSF ALA 108 G -9.788 11.061 -13.044 -4.709 7 2324 3048 981 354 Selective Inactive 9991 1JSF TRP 109 C -11.509 14.835 -14.099 -4.74 7 2823 3430 983 403 Selective Inactive 9992 1JSF VAL 110 H -11.155 12.003 -15.107 -4.903 6 3202 3539 951 440 Selective Inactive 9993 1JSF ALA 111 H -11.254 11.437 -15.396 -4.962 6 3627 3606 922 439 Selective Inactive 9994 1JSF TRP 112 H -11.344 11.286 -15.39 -5.015 6 4319 3908 896 450 Selective Inactive 9995 1JSF ARG 113 H -11.368 10.911 -15.607 -5.066 6 4915 3944 873 461 Selective Inactive 9996 1JSF ASN 114 H -9.969 8.261 -16.12 -5.731 6 5416 3932 862 468 Selective Inactive 9997 1JSF ARG 115 H -9.293 8.059 -14.995 -5.291 6 5549 3775 858 470 Selective Inactive 9998 1JSF CYS 116 H -8.187 5.347 -14.9 -5.27 6 5631 3802 835 464 Selective Inactive 9999 1JSF GLN 117 T -8.007 5.482 -14.78 -5.149 6 5664 3784 789 447 Selective Inactive 10000 1JSF ASN 118 T -7.273 5.766 -12.496 -4.279 5 - - - - - - 10001 1JSF ARG 119 T -7.213 5.901 -12.439 -4.229 5 - - - - - - 10002 1JSF ASP 120 C -7.216 5.935 -12.4 -4.219 5 - - - - - - 10003 1JSF VAL 121 C -7.322 6.15 -11.913 -4.014 3 - - - - - - 10004 1JSF ARG 122 G -7.373 6.18 -11.687 -3.943 3 - - - - - - 10005 1JSF GLN 123 G -8.456 7.754 -12.349 -4.057 5 - - - - - - 10006 1JSF TYR 124 G -9.512 11.706 -13.501 -5.343 6 - - - - - - 10007 1JSF VAL 125 G -5.765 7.899 -10.884 -5.928 3 - - - - - - 10008 1JSF GLN 126 T -5.015 6.542 -10.503 -5.476 3 - - - - - - 10009 1JSF GLY 127 T -3.194 4.971 -7.06 -4.192 2 - - - - - - 10010 1JSF CYS 128 T -3.194 4.971 -7.06 -4.192 2 - - - - - - 10011 1JSF GLY 129 C -3.194 4.971 -7.06 -4.192 2 - - - - - - 10012 1JSF VAL 130 C -3.194 4.971 -7.06 -4.192 2 - - - - - - 10013 1JSG CYS 4 C -1.595 0.254 -5.742 -2.956 1 - - - - - - 10014 1JSG PRO 5 C -1.595 0.254 -5.742 -2.956 1 - - - - - - 10015 1JSG THR 6 C -1.595 0.254 -5.742 -2.956 1 - - - - - - 10016 1JSG LEU 7 C -1.595 0.254 -5.742 -2.956 1 - - - - - - 10017 1JSG GLY 8 E -1.703 0.521 -5.681 -3.135 1 - - - - - - 10018 1JSG GLU 9 E -3.051 2.563 -8.726 -4.476 2 - - - - - - 10019 1JSG ALA 10 E -3.237 3.507 -8.495 -4.564 2 - - - - - - 10020 1JSG VAL 11 C -3.939 5.019 -7.842 -3.759 2 - - - - - - 10021 1JSG THR 12 C -3.993 5.055 -7.559 -3.598 1 - - - - - - 10022 1JSG ASP 13 C -4.284 5.311 -7.509 -3.595 1 - - - - - - 10023 1JSG HIS 14 C -4.613 5.917 -6.99 -3.48 1 - - - - - - 10024 1JSG PRO 15 C -6.249 8.463 -8.104 -3.638 2 - - - - - - 10025 1JSG ASP 16 C -7.488 7.537 -10.032 -3.836 4 1076 1322 1389 1910 Inactive Selective 10026 1JSG ARG 17 E -11.016 11.533 -13.888 -4.451 7 1359 1095 1318 2026 Inactive Selective 10027 1JSG LEU 18 E -11.83 15.362 -13.497 -4.485 7 1622 858 1239 2081 Inactive Selective 10028 1JSG TRP 19 E -12.035 16.056 -13.419 -4.54 7 1890 902 1138 2086 Permissive Gatekeeper 10029 1JSG ALA 20 E -11.981 16.754 -13.654 -4.992 7 1941 837 1044 2044 Permissive Gatekeeper 10030 1JSG TRP 21 E -10.694 19.136 -11.688 -6.284 7 2049 770 963 1957 Permissive Gatekeeper 10031 1JSG GLU 22 E -10.622 18.904 -11.698 -6.107 7 2062 717 899 1866 Permissive Gatekeeper 10032 1JSG LYS 23 T -10.623 18.899 -11.69 -6.101 7 2134 678 844 1737 Permissive Gatekeeper 10033 1JSG PHE 24 T -10.625 18.904 -11.678 -6.103 7 2231 824 794 1583 Permissive Gatekeeper 10034 1JSG VAL 25 E -10.651 18.992 -11.581 -6.134 7 2245 844 762 1378 Permissive Gatekeeper 10035 1JSG TYR 26 E -11.809 17.386 -11.906 -4.7 7 2257 837 738 1151 Permissive Inactive 10036 1JSG LEU 27 E -10.515 9.427 -14.181 -4.775 6 2270 763 708 924 Permissive Inactive 10037 1JSG ASP 28 E -8.662 6.693 -13.123 -4.725 5 2231 496 696 706 Permissive Inactive 10038 1JSG GLU 29 T -8.215 6.838 -12.85 -4.614 5 2164 481 689 530 Permissive Inactive 10039 1JSG LYS 30 T -8.21 6.876 -12.853 -4.613 5 1946 438 697 393 Permissive Inactive 10040 1JSG GLN 31 T -8.209 6.894 -12.852 -4.613 5 1745 414 725 304 Permissive Inactive 10041 1JSG HIS 32 E -8.221 6.847 -12.824 -4.61 5 1537 358 771 261 Inactive Inactive 10042 1JSG ALA 33 E -8.579 7.1 -12.61 -4.513 5 1504 361 834 255 Inactive Inactive 10043 1JSG TRP 34 E -10.332 15.313 -10.684 -4.074 7 1417 364 899 282 Inactive Inactive 10044 1JSG LEU 35 E -6.918 13.84 -5.224 -3.227 4 1364 360 947 295 Inactive Inactive 10045 1JSG PRO 36 E -6.27 13.012 -5.851 -3.577 4 1260 345 992 339 Inactive Inactive 10046 1JSG LEU 37 E -5.546 11.45 -5.655 -3.49 4 1125 191 1034 445 Inactive Inactive 10047 1JSG THR 38 E -5.517 11.371 -5.788 -3.503 4 1050 131 1088 611 Inactive Inactive 10048 1JSG ILE 39 E -5.305 10.809 -6.285 -3.689 4 1017 106 1147 860 Inactive Inactive 10049 1JSG GLU 40 E -4.736 7.81 -6.898 -3.657 2 900 81 1241 1133 Inactive Permissive 10050 1JSG ILE 41 E -3.729 6.458 -5.695 -3.357 1 771 81 1320 1419 Inactive Selective 10051 1JSG LYS 42 E -3.738 6.304 -5.761 -3.363 1 742 83 1397 1696 Inactive Selective 10052 1JSG ASP 43 T -3.74 6.298 -5.757 -3.362 1 818 99 1458 1947 Inactive Selective 10053 1JSG ARG 44 T -3.752 6.227 -5.719 -3.345 1 833 115 1504 2206 Inactive Selective 10054 1JSG LEU 45 T -3.83 6.221 -5.511 -3.306 1 835 131 1526 2443 Inactive Selective 10055 1JSG GLN 46 E -6.1 6.115 -9.128 -3.861 2 863 154 1532 2673 Inactive Selective 10056 1JSG LEU 47 E -8.141 9.921 -9.713 -3.9 4 914 208 1528 2924 Inactive Selective 10057 1JSG ARG 48 E -11.321 17.226 -14.84 -7.622 8 909 224 1523 3205 Inactive Selective 10058 1JSG VAL 49 E -13.267 18.158 -16.758 -7.559 8 970 307 1538 3360 Inactive Selective 10059 1JSG LEU 50 E -14.951 19.89 -16.519 -5.706 8 987 327 1551 3371 Inactive Selective 10060 1JSG LEU 51 E -11.764 16.498 -15.045 -6.974 8 985 329 1554 3288 Inactive Selective 10061 1JSG ARG 52 E -9.528 12.435 -13.575 -6.297 6 982 475 1565 3083 Inactive Selective 10062 1JSG ARG 53 E -5.745 5.887 -8.347 -3.671 2 988 609 1551 2852 Inactive Selective 10063 1JSG GLU 54 C -3.744 5.554 -5.85 -3.44 1 934 664 1536 2601 Inactive Selective 10064 1JSG ASP 55 C -1.75 3.818 -3.725 -3.116 1 813 759 1519 2345 Inactive Selective 10065 1JSG VAL 56 C -0.986 5.009 -2.447 -2.9 1 722 1101 1486 2102 Inactive Selective 10066 1JSG VAL 57 C -0.771 5.283 -2.622 -3.003 1 766 1936 1439 1838 Gatekeeper Selective 10067 1JSG LEU 58 C -0.77 5.291 -2.628 -3.005 1 798 2662 1399 1581 Gatekeeper Selective 10068 1JSG GLY 59 C -0.775 5.273 -2.6 -2.993 1 823 3370 1344 1325 Gatekeeper Selective 10069 1JSG ARG 60 C -0.959 5.181 -1.97 -2.62 1 799 3897 1291 1033 Gatekeeper Permissive 10070 1JSG PRO 61 C -1.678 4.273 -2.284 -2.29 1 1021 5125 1250 719 Gatekeeper Permissive 10071 1JSG MET 62 C -4.011 6.897 -7.161 -3.839 2 1126 6012 1205 513 Gatekeeper Inactive 10072 1JSG THR 63 C -4.188 6.935 -7.886 -4.197 2 1338 6972 1182 398 Gatekeeper Inactive 10073 1JSG PRO 64 H -4.432 8.253 -8.411 -4.732 2 1558 8220 1179 334 Gatekeeper Inactive 10074 1JSG THR 65 H -4.413 7.923 -8.444 -4.665 2 1671 8658 1160 312 Selective Inactive 10075 1JSG GLN 66 H -4.47 7.759 -8.435 -4.621 2 1797 9185 1140 293 Selective Inactive 10076 1JSG ILE 67 H -4.596 7.981 -8.187 -4.442 2 2135 10181 1133 281 Selective Inactive 10077 1JSG GLY 68 C -4.466 7.994 -7.663 -4.243 2 2288 11290 1141 279 Selective Inactive 10078 1JSG PRO 69 C -4.679 7.76 -7.419 -3.926 2 2323 11543 1161 277 Selective Inactive 10079 1JSG SER 70 C -4.909 8.051 -6.622 -3.507 2 2306 11072 1195 292 Selective Inactive 10080 1JSG LEU 71 C -4.925 8.046 -6.501 -3.465 1 2292 10663 1234 305 Selective Permissive 10081 1JSG LEU 72 C -5.093 8.24 -6.136 -3.412 1 2198 10167 1256 299 Selective Permissive 10082 1JSG PRO 73 T -6.655 10.926 -6.727 -3.259 4 2127 9810 1262 299 Selective Permissive 10083 1JSG ILE 74 T -7.868 13.456 -6.981 -3.418 4 1898 8703 1260 299 Selective Permissive 10084 1JSG MET 75 E -9.78 16.129 -9.036 -4.17 4 1732 7834 1249 298 Selective Permissive 10085 1JSG TRP 76 E -11.825 17.405 -12.208 -4.694 7 1518 6961 1211 298 Gatekeeper Permissive 10086 1JSG GLN 77 E -9.619 9.033 -12.79 -4.413 5 1302 5762 1154 280 Gatekeeper Inactive 10087 1JSG LEU 78 E -6.37 6.718 -8.926 -3.866 2 1188 5274 1115 268 Gatekeeper Inactive 10088 1JSG TYR 79 T -6.252 6.808 -9.187 -3.928 2 1069 4685 1075 270 Gatekeeper Inactive 10089 1JSG PRO 80 T -6.251 6.811 -9.192 -3.928 2 929 3884 1044 285 Gatekeeper Inactive 10090 1JSG ASP 81 T -6.251 6.81 -9.191 -3.928 2 1082 2765 1019 321 Gatekeeper Inactive 10091 1JSG GLY 82 T -6.253 6.803 -9.179 -3.927 2 1321 2251 997 366 Gatekeeper Inactive 10092 1JSG ARG 83 C -7.261 7.228 -10.384 -4.209 4 1738 2017 987 443 Selective Inactive 10093 1JSG TYR 84 E -10.316 9.647 -13.146 -4.306 5 2175 2003 991 544 Selective Inactive 10094 1JSG ARG 85 E -11.599 5.874 -16.703 -4.227 6 2826 2014 1019 706 Selective Inactive 10095 1JSG SER 86 E -9.904 5.078 -15.51 -4.462 6 3504 2125 1053 854 Selective Inactive 10096 1JSG SER 87 T -9.881 5.2 -15.53 -4.464 6 4018 2174 1084 1035 Selective Inactive 10097 1JSG ASP 88 T -9.881 5.203 -15.53 -4.464 6 4438 2274 1130 1256 Selective Gatekeeper 10098 1JSG SER 89 T -9.881 5.202 -15.53 -4.464 6 4747 2303 1187 1495 Selective Gatekeeper 10099 1JSG SER 90 C -9.915 5.165 -15.462 -4.478 6 5128 2682 1277 1737 Selective Selective 10100 1JSG PHE 91 E -11.835 8.498 -16.043 -4.53 6 5588 3122 1360 1991 Selective Selective 10101 1JSG TRP 92 E -13.881 17.717 -14.352 -4.528 7 5742 3228 1449 2188 Selective Selective 10102 1JSG ARG 93 E -12.29 15.226 -12.712 -4.249 7 5620 3036 1527 2341 Selective Selective 10103 1JSG LEU 94 E -10.57 15.658 -10.206 -4.1 7 5336 2969 1580 2456 Selective Selective 10104 1JSG VAL 95 E -10.465 15.593 -10.492 -4.151 7 5024 2873 1647 2607 Selective Selective 10105 1JSG TYR 96 E -10.449 15.593 -10.587 -4.17 7 4530 2734 1692 2775 Selective Selective 10106 1JSG HIS 97 E -10.261 14.375 -12.371 -4.938 7 4014 2407 1697 2883 Selective Selective 10107 1JSG ILE 98 E -7.317 7.124 -10.241 -3.847 4 3357 2154 1702 2904 Selective Selective 10108 1JSG LYS 99 E -5.193 5.18 -10.861 -5.495 3 2696 1812 1688 2932 Selective Selective 10109 1JSG ILE 100 E -5.05 5.561 -10.506 -5.265 3 2178 1648 1679 2926 Permissive Selective 10110 1JSG ASP 101 T -5.05 5.562 -10.51 -5.265 3 1775 1475 1661 2866 Permissive Selective 10111 1JSG GLY 102 T -5.05 5.562 -10.51 -5.265 3 - - - - - - 10112 1JSG VAL 103 E -5.063 5.529 -10.516 -5.296 3 - - - - - - 10113 1JSG GLU 104 E -5.96 6.954 -9.228 -4.426 2 - - - - - - 10114 1JSG ASP 105 E -9.184 6.663 -14.571 -5.136 6 - - - - - - 10115 1JSG MET 106 E -11.45 10.426 -15.591 -5.317 6 - - - - - - 10116 1JSG LEU 107 E -13.792 15.576 -16.781 -5.269 8 - - - - - - 10117 1JSG LEU 108 E -13.538 15.034 -17.238 -5.861 8 - - - - - - 10118 1JSG GLU 109 E -11.338 9.074 -16.393 -5.506 6 - - - - - - 10119 1JSG LEU 110 E -7.391 6.935 -10.112 -3.764 4 - - - - - - 10120 1JSG LEU 111 E -4.855 4.559 -7.281 -2.995 1 - - - - - - 10121 1JSG PRO 112 C -4.855 4.559 -7.281 -2.995 1 - - - - - - 10122 1JSG ASP 113 C -4.855 4.559 -7.281 -2.995 1 - - - - - - 10123 1JSG ASP 114 C -4.855 4.559 -7.281 -2.995 1 - - - - - - 10124 1JWF PRO 7 C -7.014 5.889 -11.285 -3.977 3 - - - - - - 10125 1JWF GLU 8 C -7.014 5.889 -11.285 -3.977 3 - - - - - - 10126 1JWF THR 9 C -7.014 5.889 -11.285 -3.977 3 - - - - - - 10127 1JWF LEU 10 H -7.014 5.889 -11.285 -3.977 3 - - - - - - 10128 1JWF GLU 11 H -8.503 7.637 -13.689 -5.045 6 - - - - - - 10129 1JWF ALA 12 H -9.822 8.187 -15.758 -5.719 6 - - - - - - 10130 1JWF ARG 13 H -12.413 11.278 -18.888 -6.324 8 - - - - - - 10131 1JWF ILE 14 H -12.165 11.96 -16.722 -5.266 8 - - - - - - 10132 1JWF ASN 15 H -11.734 10.358 -17.265 -5.313 8 - - - - - - 10133 1JWF ARG 16 H -11.543 10.533 -16.967 -5.247 6 - - - - - - 10134 1JWF ALA 17 H -8.511 8.892 -12.037 -4.449 5 - - - - - - 10135 1JWF THR 18 H -7.944 7.771 -12.8 -4.769 5 - - - - - - 10136 1JWF ASN 19 T -5.485 4.024 -10.524 -4.281 2 74 243 1124 1010 Inactive Permissive 10137 1JWF PRO 20 T -4.696 3.988 -9.8 -4.191 2 73 260 1029 811 Inactive Inactive 10138 1JWF LEU 21 T -4.368 4.575 -9.435 -4.222 2 71 255 949 662 Inactive Inactive 10139 1JWF ASN 22 T -4.361 4.592 -9.462 -4.228 2 73 257 898 574 Inactive Inactive 10140 1JWF LYS 23 T -4.308 4.951 -9.396 -4.262 2 74 245 879 525 Inactive Inactive 10141 1JWF GLU 24 T -4.39 5.135 -9.236 -4.263 2 76 252 876 509 Inactive Inactive 10142 1JWF LEU 25 T -4.731 6.043 -8.998 -4.344 2 70 243 893 542 Inactive Inactive 10143 1JWF ASP 26 C -5.64 8.5 -9.228 -4.647 2 69 243 924 611 Inactive Inactive 10144 1JWF TRP 27 H -5.704 8.755 -8.93 -4.631 2 74 266 970 713 Inactive Inactive 10145 1JWF ALA 28 H -7.177 8.944 -10.964 -4.761 5 93 244 1036 847 Inactive Inactive 10146 1JWF SER 29 H -8.638 10.134 -13.241 -5.119 6 96 274 1122 1007 Inactive Permissive 10147 1JWF ILE 30 H -9.228 10.778 -13.902 -5.208 6 105 300 1190 1139 Inactive Permissive 10148 1JWF ASN 31 H -9.439 10.481 -14.375 -5.345 6 124 377 1254 1241 Inactive Permissive 10149 1JWF GLY 32 H -9.644 10.114 -14.718 -5.477 6 142 587 1306 1337 Inactive Permissive 10150 1JWF PHE 33 H -10.835 11.364 -15.998 -5.687 8 298 1390 1361 1421 Gatekeeper Permissive 10151 1JWF CYS 34 H -10.871 11.044 -16.104 -5.692 8 459 2072 1384 1448 Gatekeeper Permissive 10152 1JWF GLU 35 H -10.844 9.901 -16.641 -5.65 6 558 2702 1355 1422 Gatekeeper Permissive 10153 1JWF GLN 36 H -11.47 9.312 -17.726 -5.592 6 638 3443 1322 1378 Selective Permissive 10154 1JWF LEU 37 H -10.024 7.914 -15.55 -5.104 6 662 4022 1283 1320 Selective Permissive 10155 1JWF ASN 38 H -7.252 4.24 -13.456 -4.902 3 720 4689 1259 1249 Selective Permissive 10156 1JWF GLU 39 H -4.778 4.79 -9.665 -4.642 2 774 5426 1223 1167 Selective Permissive 10157 1JWF ASP 40 C -4.756 4.908 -9.685 -4.637 2 834 6274 1180 1096 Selective Permissive 10158 1JWF PHE 41 C -4.743 4.979 -9.695 -4.629 2 912 7059 1126 1026 Selective Permissive 10159 1JWF GLU 42 H -4.74 5.005 -9.698 -4.627 2 1145 7837 1062 971 Selective Inactive 10160 1JWF GLY 43 H -4.748 5.019 -9.644 -4.623 2 1482 8785 1003 990 Selective Inactive 10161 1JWF PRO 44 H -6.39 8.322 -10.211 -4.395 4 1573 9079 943 1100 Selective Inactive 10162 1JWF PRO 45 H -6.887 8.741 -10.218 -4.251 4 1577 8899 898 1271 Selective Inactive 10163 1JWF LEU 46 H -7.781 10.324 -10.497 -4.276 4 1430 8087 858 1528 Selective Inactive 10164 1JWF ALA 47 H -8.958 11.595 -11.278 -3.881 4 1270 7412 860 1933 Selective Gatekeeper 10165 1JWF THR 48 H -9.343 11.211 -11.545 -3.696 4 1166 6783 895 2469 Selective Gatekeeper 10166 1JWF ARG 49 H -9.34 11.143 -11.547 -3.672 4 1092 6059 951 3195 Selective Gatekeeper 10167 1JWF LEU 50 H -10.105 13.054 -12.225 -4.002 7 1077 5467 1001 4110 Selective Gatekeeper 10168 1JWF LEU 51 H -10.435 13.791 -12.389 -4.134 7 1019 4777 1050 5115 Selective Gatekeeper 10169 1JWF ALA 52 H -10.547 13.47 -12.549 -4.169 7 969 4019 1116 6224 Selective Gatekeeper 10170 1JWF HIS 53 H -10.583 13.336 -12.561 -4.182 7 901 3132 1189 7441 Selective Selective 10171 1JWF LYS 54 H -11.482 14.312 -14.446 -4.975 7 798 2309 1276 8658 Selective Selective 10172 1JWF ILE 55 H -11.79 13.815 -15.069 -5.007 8 559 1489 1373 9867 Gatekeeper Selective 10173 1JWF GLN 56 H -12.176 10.732 -18.505 -5.805 8 220 498 1458 10895 Inactive Selective 10174 1JWF SER 57 T -10.879 10.498 -16.036 -5.646 8 130 116 1526 11747 Inactive Selective 10175 1JWF PRO 58 T -10.811 10.63 -16.147 -5.696 8 140 89 1577 12426 Inactive Selective 10176 1JWF GLN 59 T -10.809 10.637 -16.153 -5.697 8 182 79 1615 12980 Inactive Selective 10177 1JWF GLU 60 H -10.82 10.65 -16.116 -5.701 8 207 72 1642 13326 Inactive Selective 10178 1JWF TRP 61 H -10.846 10.723 -15.962 -5.679 8 239 64 1659 13453 Inactive Selective 10179 1JWF GLU 62 H -12.006 12.065 -17.237 -6.037 8 241 37 1656 13287 Inactive Selective 10180 1JWF ALA 63 H -12.433 15.227 -15.014 -4.99 8 248 24 1656 12831 Inactive Selective 10181 1JWF ILE 64 H -11.891 15.667 -14.366 -5.139 8 277 25 1640 12177 Inactive Selective 10182 1JWF GLN 65 H -11.82 15.71 -14.38 -5.131 8 362 71 1606 11339 Inactive Selective 10183 1JWF ALA 66 H -11.084 17.126 -11.919 -4.639 7 508 163 1566 10321 Inactive Selective 10184 1JWF LEU 67 H -11.074 17.178 -11.929 -4.647 7 695 235 1531 9261 Permissive Selective 10185 1JWF THR 68 H -11.038 17.027 -12.139 -4.739 7 804 281 1502 8195 Permissive Selective 10186 1JWF VAL 69 H -11.06 16.778 -12.281 -4.748 7 957 366 1494 7268 Permissive Selective 10187 1JWF LEU 70 H -11.077 16.783 -12.24 -4.748 7 1149 457 1505 6513 Permissive Selective 10188 1JWF GLU 71 H -11.418 11.929 -16.727 -5.71 8 1299 567 1524 5839 Permissive Selective 10189 1JWF THR 72 H -10.743 9.276 -16.976 -5.669 6 1396 672 1525 5140 Permissive Selective 10190 1JWF CYS 73 H -10.542 8.467 -17.332 -5.714 6 1496 774 1529 4518 Selective Selective 10191 1JWF MET 74 H -9.761 7.117 -16.712 -5.643 6 1555 790 1523 3970 Selective Selective 10192 1JWF LYS 75 H -8.648 4.283 -16.015 -5.214 6 1673 802 1492 3497 Selective Selective 10193 1JWF SER 76 H -8.645 4.268 -16.028 -5.21 6 1670 815 1453 3101 Selective Selective 10194 1JWF CYS 77 H -8.655 4.204 -16.011 -5.201 6 1665 830 1415 2793 Selective Selective 10195 1JWF GLY 78 H -8.664 4.154 -15.988 -5.193 6 1598 825 1380 2556 Selective Selective 10196 1JWF LYS 79 H -8.737 3.812 -15.923 -5.137 6 1494 841 1355 2387 Selective Selective 10197 1JWF ARG 80 H -11.268 6.46 -18.263 -5.124 6 1330 875 1325 2279 Selective Selective 10198 1JWF PHE 81 H -11.972 9.989 -17.01 -5.102 6 1241 910 1288 2200 Selective Selective 10199 1JWF HIS 82 H -12.996 11.969 -17.853 -5.324 8 1097 846 1243 2142 Selective Selective 10200 1JWF ASP 83 H -10.839 9.266 -15.823 -5.205 6 924 784 1202 1982 Selective Selective 10201 1JWF GLU 84 H -10.357 11.38 -14.67 -5.269 6 758 675 1157 1881 Permissive Selective 10202 1JWF VAL 85 H -8.489 10.441 -11.141 -4.312 4 637 592 1102 1853 Permissive Gatekeeper 10203 1JWF GLY 86 H -8.313 11.199 -11.045 -4.418 4 591 529 1037 1850 Inactive Gatekeeper 10204 1JWF LYS 87 C -8.305 11.27 -11.044 -4.418 4 577 543 984 1897 Inactive Gatekeeper 10205 1JWF PHE 88 H -8.286 11.543 -10.932 -4.409 4 645 931 967 1960 Selective Gatekeeper 10206 1JWF ARG 89 H -8.296 11.52 -10.885 -4.394 4 684 1038 959 2033 Selective Gatekeeper 10207 1JWF PHE 90 H -8.992 14.029 -10.664 -4.672 7 674 1078 962 2100 Selective Gatekeeper 10208 1JWF LEU 91 H -9.962 16.672 -10.263 -4.467 7 661 1045 969 2123 Selective Gatekeeper 10209 1JWF ASN 92 H -10.094 16.697 -10.163 -4.498 7 631 949 978 2115 Selective Gatekeeper 10210 1JWF GLU 93 H -11.918 16.568 -14.521 -5.465 8 610 847 992 2078 Selective Gatekeeper 10211 1JWF LEU 94 H -11.553 18.105 -12.689 -5.107 7 598 780 993 1938 Gatekeeper Gatekeeper 10212 1JWF ILE 95 H -11.302 17.844 -12.779 -5.122 7 580 758 1006 1759 Gatekeeper Inactive 10213 1JWF LYS 96 H -11.03 16.765 -13.207 -5.178 7 538 725 988 1616 Inactive Inactive 10214 1JWF VAL 97 H -7.828 11.52 -9.184 -3.996 4 522 723 969 1445 Inactive Inactive 10215 1JWF VAL 98 H -5.78 11.036 -7.358 -4.368 4 493 702 979 1282 Inactive Inactive 10216 1JWF SER 99 T -5.398 10.516 -7.819 -4.524 4 412 663 990 1116 Inactive Inactive 10217 1JWF PRO 100 T -4.936 10.004 -7.845 -4.633 2 334 632 1007 937 Inactive Inactive 10218 1JWF LYS 101 T -4.904 9.936 -7.958 -4.635 2 139 235 1008 775 Inactive Inactive 10219 1JWF TYR 102 T -4.908 9.924 -7.95 -4.64 2 90 126 1014 654 Inactive Inactive 10220 1JWF LEU 103 T -5.056 9.606 -8.145 -4.713 2 75 73 1008 564 Inactive Inactive 10221 1JWF GLY 104 G -5.239 9.478 -8.09 -4.719 2 87 75 1017 547 Inactive Inactive 10222 1JWF SER 105 G -6.613 8.635 -10.178 -4.665 3 89 63 1018 579 Inactive Inactive 10223 1JWF ARG 106 G -8.325 7.589 -13.462 -4.623 5 99 59 1012 617 Inactive Inactive 10224 1JWF THR 107 C -8.284 7.684 -13.519 -4.68 5 124 43 1030 766 Inactive Inactive 10225 1JWF SER 108 C -8.702 7.404 -14.463 -4.956 6 216 62 1044 981 Inactive Inactive 10226 1JWF GLU 109 H -9.045 9.213 -14.536 -5.249 6 270 68 1071 1220 Inactive Inactive 10227 1JWF LYS 110 H -9.189 9.9 -14.219 -5.329 6 351 86 1111 1445 Inactive Inactive 10228 1JWF VAL 111 H -9.203 9.963 -14.132 -5.324 6 381 102 1138 1655 Inactive Permissive 10229 1JWF LYS 112 H -9.585 10.421 -14.049 -5.368 6 467 148 1167 1874 Inactive Selective 10230 1JWF ASN 113 H -9.632 10.419 -13.925 -5.344 6 524 257 1176 2077 Inactive Selective 10231 1JWF LYS 114 H -11.464 14.25 -14.816 -5.228 8 597 318 1188 2264 Inactive Selective 10232 1JWF ILE 115 H -11.28 15.745 -13.703 -5.046 7 825 760 1188 2358 Selective Selective 10233 1JWF LEU 116 H -11.309 15.816 -13.583 -5.014 7 909 1035 1202 2408 Selective Selective 10234 1JWF GLU 117 H -11.139 15.703 -13.506 -4.94 7 930 1205 1207 2380 Selective Selective 10235 1JWF LEU 118 H -11.36 17.073 -12.809 -4.83 7 986 1468 1208 2291 Selective Selective 10236 1JWF LEU 119 H -11.511 17.382 -12.565 -4.765 7 998 1597 1213 2179 Selective Selective 10237 1JWF TYR 120 H -11.209 14.946 -13.147 -4.617 7 990 1698 1186 2007 Selective Selective 10238 1JWF SER 121 H -9.097 12.253 -11.288 -4.591 7 903 1735 1145 1781 Selective Permissive 10239 1JWF TRP 122 H -8.675 13.574 -10.674 -4.727 7 857 1778 1091 1532 Selective Inactive 10240 1JWF THR 123 H -7.028 8.198 -10.281 -4.148 4 782 1825 1036 1298 Selective Inactive 10241 1JWF VAL 124 H -5.993 6.361 -9.851 -3.958 2 755 1854 1003 1082 Selective Inactive 10242 1JWF GLY 125 H -5.98 6.385 -9.914 -3.974 2 681 1823 968 861 Selective Inactive 10243 1JWF LEU 126 T -5.975 6.374 -9.94 -3.975 2 646 1719 970 668 Selective Inactive 10244 1JWF PRO 127 T -5.974 6.339 -9.961 -3.975 2 600 1656 977 492 Selective Inactive 10245 1JWF GLU 128 T -6.077 6.056 -9.906 -3.949 2 373 1203 962 384 Gatekeeper Inactive 10246 1JWF GLU 129 T -7.858 7.672 -12.708 -4.554 5 299 925 932 299 Gatekeeper Inactive 10247 1JWF VAL 130 H -8.185 8.29 -12.653 -4.414 5 283 745 901 266 Inactive Inactive 10248 1JWF LYS 131 H -8.63 9.053 -12.912 -4.556 5 256 482 888 282 Inactive Inactive 10249 1JWF ILE 132 H -9.062 10.146 -12.26 -4.328 5 248 352 886 324 Inactive Inactive 10250 1JWF ALA 133 H -9.078 10.106 -12.194 -4.309 5 - - - - - - 10251 1JWF GLU 134 H -9.083 10.093 -12.167 -4.306 5 - - - - - - 10252 1JWF ALA 135 H -10.482 13.597 -12.959 -4.892 7 - - - - - - 10253 1JWF TYR 136 H -10.469 20.493 -14.967 -9.23 8 - - - - - - 10254 1JWF GLN 137 H -7.954 14.886 -12.293 -7.282 7 - - - - - - 10255 1JWF MET 138 H -7.157 15.318 -11.19 -7.355 7 - - - - - - 10256 1JWF LEU 139 H -6.556 14.158 -10.446 -6.799 3 - - - - - - 10257 1JWF LYS 140 H -5.601 10.775 -9.586 -5.847 4 - - - - - - 10258 1JWF LYS 141 H -4.881 9.258 -8.347 -4.909 2 - - - - - - 10259 1JWF GLN 142 H -4.545 8.774 -7.781 -4.414 2 - - - - - - 10260 1JWF GLY 143 C -4.545 8.774 -7.781 -4.414 2 - - - - - - 10261 1JWF ILE 144 C -4.545 8.774 -7.781 -4.414 2 - - - - - - 10262 1JWF VAL 145 C -4.545 8.774 -7.781 -4.414 2 - - - - - - 10263 1JWO LEU 117 T -5.96 6.46 -8.548 -3.118 2 - - - - - - 10264 1JWO SER 118 T -5.96 6.46 -8.548 -3.118 2 - - - - - - 10265 1JWO LEU 119 T -5.96 6.46 -8.548 -3.118 2 - - - - - - 10266 1JWO MET 120 T -5.96 6.46 -8.548 -3.118 2 - - - - - - 10267 1JWO PRO 121 T -7.257 7.442 -10.185 -3.677 4 - - - - - - 10268 1JWO TRP 122 T -10.183 14.311 -12.225 -4.885 7 - - - - - - 10269 1JWO PHE 123 B -9.189 13.474 -11.396 -5.1 7 - - - - - - 10270 1JWO HIS 124 T -8.166 10.029 -12.224 -5.153 5 - - - - - - 10271 1JWO GLY 125 T -7.143 7.631 -12.213 -5.13 3 - - - - - - 10272 1JWO LYS 126 T -7.091 7.577 -12.341 -5.117 3 - - - - - - 10273 1JWO ILE 127 T -6.951 7.406 -12.455 -5.073 3 - - - - - - 10274 1JWO SER 128 C -6.825 7.191 -12.513 -5.034 3 - - - - - - 10275 1JWO GLY 129 H -6.813 7.079 -12.549 -5.016 3 342 1045 1154 633 Gatekeeper Inactive 10276 1JWO GLN 130 H -7.141 7.119 -12.86 -4.898 3 376 1169 1098 582 Gatekeeper Inactive 10277 1JWO GLU 131 H -7.187 7.169 -12.789 -4.891 3 393 1234 1051 509 Gatekeeper Inactive 10278 1JWO ALA 132 H -7.408 7.37 -12.749 -4.882 3 410 1360 997 441 Gatekeeper Inactive 10279 1JWO VAL 133 H -7.889 7.999 -12.896 -4.875 5 486 1637 970 366 Gatekeeper Inactive 10280 1JWO GLN 134 H -8.473 8.421 -13.178 -4.712 5 637 2002 975 340 Gatekeeper Inactive 10281 1JWO GLN 135 H -9.14 10.067 -13.697 -4.81 6 712 2476 1006 406 Gatekeeper Inactive 10282 1JWO LEU 136 H -9.199 9.623 -13.833 -4.651 5 847 2930 1079 501 Selective Inactive 10283 1JWO GLN 137 T -8.591 6.721 -14.285 -4.635 5 1070 3349 1184 646 Selective Inactive 10284 1JWO PRO 138 T -7.166 6.043 -12.235 -4.581 3 1351 3902 1293 828 Selective Inactive 10285 1JWO PRO 139 T -7.16 6.072 -12.252 -4.587 3 1468 3987 1399 974 Selective Inactive 10286 1JWO GLU 140 T -7.165 6.037 -12.242 -4.587 3 1532 3847 1513 1090 Selective Inactive 10287 1JWO ASP 141 T -7.173 6.012 -12.217 -4.588 3 1575 3758 1598 1177 Selective Selective 10288 1JWO GLY 142 T -7.21 6.055 -12.069 -4.585 3 1645 3796 1671 1251 Selective Selective 10289 1JWO LEU 143 E -9.602 9.839 -13.92 -5.085 6 1831 3780 1752 1312 Selective Selective 10290 1JWO PHE 144 E -11.361 16.119 -13.35 -4.959 7 1852 3722 1822 1380 Selective Selective 10291 1JWO LEU 145 E -11.68 17.886 -12.179 -4.671 7 1808 3461 1892 1441 Selective Selective 10292 1JWO VAL 146 E -11.951 17.966 -12.049 -4.551 7 1725 3139 1937 1503 Selective Selective 10293 1JWO ARG 147 E -10.554 10.377 -14.112 -4.623 7 1566 2663 1950 1564 Selective Selective 10294 1JWO GLU 148 E -6.823 7.179 -10.829 -4.522 3 1430 2163 1919 1571 Selective Selective 10295 1JWO SER 149 T -5.198 4.114 -9.617 -3.818 2 1281 1701 1869 1525 Selective Selective 10296 1JWO ALA 150 T -3.706 2.192 -8.599 -3.691 2 1063 1338 1810 1473 Selective Selective 10297 1JWO ARG 151 T -3.695 2.212 -8.654 -3.701 2 767 812 1759 1367 Selective Selective 10298 1JWO HIS 152 T -3.695 2.213 -8.654 -3.701 2 648 759 1704 1320 Gatekeeper Selective 10299 1JWO PRO 153 T -3.698 2.187 -8.643 -3.697 2 561 867 1643 1307 Gatekeeper Selective 10300 1JWO GLY 154 T -3.744 2.048 -8.569 -3.69 2 491 832 1623 1326 Gatekeeper Selective 10301 1JWO ASP 155 T -6.051 3.28 -11.527 -4.234 3 404 675 1617 1347 Gatekeeper Selective 10302 1JWO TYR 156 E -9.382 9.725 -14.111 -5.193 6 158 446 1603 1356 Gatekeeper Selective 10303 1JWO VAL 157 E -10.133 11.549 -13.359 -4.899 7 109 368 1600 1379 Inactive Selective 10304 1JWO LEU 158 E -12.456 17.085 -14.64 -5.118 8 108 355 1609 1414 Inactive Selective 10305 1JWO CYS 159 E -11.815 12.665 -15.844 -5.217 8 95 346 1601 1381 Inactive Selective 10306 1JWO VAL 160 E -10.416 11.204 -13.567 -4.476 7 97 364 1577 1289 Inactive Selective 10307 1JWO SER 161 E -7.675 7.738 -11.652 -4.511 5 112 382 1573 1183 Inactive Selective 10308 1JWO PHE 162 E -5.387 8.945 -7.569 -4.098 2 137 437 1577 1137 Gatekeeper Permissive 10309 1JWO GLY 163 T -4.69 8.213 -6.98 -3.713 2 217 444 1604 1104 Gatekeeper Permissive 10310 1JWO ARG 164 T -4.684 8.238 -6.996 -3.711 2 324 477 1600 1087 Gatekeeper Permissive 10311 1JWO ASP 165 E -4.684 8.238 -6.996 -3.711 2 389 478 1595 1057 Gatekeeper Permissive 10312 1JWO VAL 166 E -4.687 8.242 -6.966 -3.706 2 449 406 1581 1027 Inactive Permissive 10313 1JWO ILE 167 E -4.9 7.926 -6.743 -3.541 2 517 412 1554 987 Gatekeeper Permissive 10314 1JWO HIS 168 E -7.389 10.644 -8.562 -3.599 4 597 418 1531 965 Gatekeeper Inactive 10315 1JWO TYR 169 E -10.452 13.133 -12.607 -4.543 7 620 420 1497 945 Gatekeeper Inactive 10316 1JWO ARG 170 E -12.051 16.093 -13.817 -4.95 7 618 415 1438 890 Gatekeeper Inactive 10317 1JWO VAL 171 E -10.143 9.189 -13.709 -4.234 5 608 410 1346 802 Inactive Inactive 10318 1JWO LEU 172 E -7.041 6.389 -11.462 -4.461 3 604 392 1296 778 Inactive Inactive 10319 1JWO HIS 173 E -6.717 6.589 -11.556 -4.543 3 592 349 1273 778 Inactive Inactive 10320 1JWO ARG 174 T -6.698 6.708 -11.565 -4.547 3 666 321 1248 775 Inactive Inactive 10321 1JWO ASP 175 T -6.695 6.731 -11.571 -4.549 3 738 271 1199 742 Inactive Inactive 10322 1JWO GLY 176 T -6.697 6.725 -11.565 -4.55 3 738 219 1139 687 Inactive Inactive 10323 1JWO HIS 177 E -7.177 7.171 -11.711 -4.661 3 694 153 1111 632 Inactive Inactive 10324 1JWO LEU 178 E -7.725 11.654 -10.13 -4.539 4 724 128 1086 563 Inactive Inactive 10325 1JWO THR 179 T -5.372 9.699 -7.389 -4.292 2 739 96 1066 495 Inactive Inactive 10326 1JWO ILE 180 T -4.89 8.389 -7.581 -4.004 2 766 100 1056 452 Permissive Inactive 10327 1JWO ASP 181 T -4.666 8.682 -7.491 -4.045 2 777 103 1024 436 Permissive Inactive 10328 1JWO GLU 182 T -4.662 8.71 -7.496 -4.045 2 841 105 1023 485 Permissive Inactive 10329 1JWO ALA 183 T -4.658 8.754 -7.485 -4.044 2 996 115 1051 591 Permissive Inactive 10330 1JWO VAL 184 T -4.863 8.389 -7.544 -3.943 2 1223 164 1087 769 Permissive Inactive 10331 1JWO PHE 185 C -5.312 9.584 -7.328 -4.135 2 1374 227 1102 987 Permissive Inactive 10332 1JWO PHE 186 B -6.952 13.771 -7.958 -4.21 4 1429 229 1128 1247 Permissive Gatekeeper 10333 1JWO CYS 187 T -6.243 10.856 -8.852 -4.685 4 1428 219 1169 1565 Permissive Gatekeeper 10334 1JWO ASN 188 T -6.35 10.27 -9.148 -4.806 4 1386 205 1244 1953 Permissive Gatekeeper 10335 1JWO LEU 189 H -6.371 10.114 -9.145 -4.809 4 1422 189 1330 2380 Permissive Gatekeeper 10336 1JWO MET 190 H -6.376 10.062 -9.144 -4.807 4 1506 182 1413 2879 Permissive Gatekeeper 10337 1JWO ASP 191 H -6.382 10.009 -9.132 -4.805 4 1479 172 1502 3396 Permissive Gatekeeper 10338 1JWO MET 192 H -10.349 14.601 -13.452 -5.654 7 1461 169 1612 3913 Permissive Selective 10339 1JWO VAL 193 H -11.303 14.484 -14.858 -5.533 8 1405 155 1684 4325 Permissive Selective 10340 1JWO GLU 194 H -11.448 13.456 -15.511 -5.579 8 1394 147 1779 4639 Permissive Selective 10341 1JWO HIS 195 H -11.932 13.543 -16.062 -5.474 8 1375 142 1837 4848 Permissive Selective 10342 1JWO TYR 196 H -12.316 13.011 -16.933 -5.441 8 1258 134 1872 4860 Permissive Selective 10343 1JWO SER 197 H -8.323 6.394 -13.901 -5.083 3 1043 90 1913 4722 Permissive Selective 10344 1JWO LYS 198 H -6.04 6.639 -10.433 -4.724 3 905 39 1947 4537 Permissive Selective 10345 1JWO ASP 199 C -5.765 7.804 -9.85 -4.654 3 849 43 1964 4302 Permissive Selective 10346 1JWO LYS 200 T -5.718 7.919 -9.894 -4.655 3 755 45 1955 4005 Inactive Selective 10347 1JWO GLY 201 T -5.697 8.025 -9.917 -4.666 3 - - - - - - 10348 1JWO ALA 202 T -5.699 8.089 -9.873 -4.664 3 - - - - - - 10349 1JWO ILE 203 T -6.172 9.869 -9.282 -4.601 4 - - - - - - 10350 1JWO CYS 204 T -6.952 10.179 -10.488 -4.783 4 - - - - - - 10351 1JWO THR 205 C -7.498 11.473 -10.586 -4.967 4 - - - - - - 10352 1JWO LYS 206 C -8.322 13.316 -10.701 -4.949 7 - - - - - - 10353 1JWO LEU 207 C -9.025 13.154 -11.543 -4.894 7 - - - - - - 10354 1JWO VAL 208 C -8.913 11.334 -12.321 -4.82 5 - - - - - - 10355 1JWO ARG 209 C -8.908 9.047 -13.029 -4.444 5 - - - - - - 10356 1JWO PRO 210 B -6.156 7.051 -8.674 -3.43 2 - - - - - - 10357 1JWO LYS 211 C -6.156 7.051 -8.674 -3.43 2 - - - - - - 10358 1JWO ARG 212 C -6.156 7.051 -8.674 -3.43 2 - - - - - - 10359 1JWO LYS 213 C -6.156 7.051 -8.674 -3.43 2 - - - - - - 10360 1K04 GLU 908 C 1.117 -0.012 -2.901 -2.814 1 - - - - - - 10361 1K04 ILE 909 C 1.117 -0.012 -2.901 -2.814 1 - - - - - - 10362 1K04 SER 910 C 1.117 -0.012 -2.901 -2.814 1 - - - - - - 10363 1K04 PRO 911 C 1.117 -0.012 -2.901 -2.814 1 - - - - - - 10364 1K04 PRO 912 C 0.573 0.102 -2.164 -2.116 1 - - - - - - 10365 1K04 PRO 913 C -0.593 1.184 -3.854 -2.595 1 - - - - - - 10366 1K04 THR 914 T -0.971 1.502 -4.95 -3.421 1 - - - - - - 10367 1K04 ALA 915 T -1.083 1.457 -5.076 -3.602 1 - - - - - - 10368 1K04 ASN 916 T -1.152 1.413 -4.95 -3.616 1 - - - - - - 10369 1K04 LEU 917 T -1.976 1.653 -6.23 -4.077 1 - - - - - - 10370 1K04 ASP 918 C -2.843 1.982 -7.861 -4.792 2 - - - - - - 10371 1K04 ARG 919 T -4.418 3.717 -10.209 -5.657 3 - - - - - - 10372 1K04 SER 920 T -5.227 3.83 -11.459 -6.073 3 2715 6544 836 354 Selective Permissive 10373 1K04 ASN 921 T -6.931 5.417 -11.55 -4.434 3 2366 5153 777 279 Selective Permissive 10374 1K04 ASP 922 T -7.698 5.16 -12.723 -4.365 5 1882 3635 751 211 Selective Permissive 10375 1K04 LYS 923 H -8.357 4.184 -13.008 -3.464 5 1297 2219 739 170 Selective Permissive 10376 1K04 VAL 924 H -8.437 4.03 -12.633 -3.036 5 665 846 772 147 Selective Permissive 10377 1K04 TYR 925 H -9.024 6.599 -13.465 -4.045 5 471 249 802 142 Gatekeeper Permissive 10378 1K04 GLU 926 H -8.847 6.387 -13.071 -3.73 5 415 96 857 153 Inactive Permissive 10379 1K04 ASN 927 H -8.11 5.438 -11.576 -3.019 5 409 100 931 187 Inactive Permissive 10380 1K04 VAL 928 H -6.774 4.95 -9.382 -2.994 1 448 111 1026 233 Inactive Permissive 10381 1K04 THR 929 H -6.61 4.979 -9.373 -2.871 1 482 117 1105 281 Inactive Permissive 10382 1K04 GLY 930 H -6.557 4.976 -9.326 -2.76 1 478 123 1184 326 Inactive Permissive 10383 1K04 LEU 931 H -6.497 4.985 -9.194 -2.604 1 433 114 1252 367 Inactive Permissive 10384 1K04 VAL 932 H -6.384 4.844 -9.002 -2.409 1 416 115 1335 413 Inactive Permissive 10385 1K04 LYS 933 H -6.658 4.849 -9.142 -2.108 1 402 123 1416 460 Inactive Selective 10386 1K04 ALA 934 H -6.807 4.818 -9.167 -2.018 1 537 431 1481 509 Gatekeeper Selective 10387 1K04 VAL 935 H -6.877 4.813 -9.282 -2.104 1 870 1516 1538 556 Selective Selective 10388 1K04 ILE 936 H -6.996 4.761 -9.584 -2.329 1 1074 2429 1582 598 Selective Selective 10389 1K04 GLU 937 H -7.513 5.389 -11.072 -3.238 3 1217 3196 1593 641 Selective Selective 10390 1K04 MET 938 H -7.641 4.341 -11.658 -3.073 5 1330 3939 1639 650 Selective Selective 10391 1K04 SER 939 H -7.441 4.255 -11.158 -2.885 1 1473 4835 1691 685 Selective Selective 10392 1K04 SER 940 H -6.805 3.804 -9.22 -2.004 1 1598 6102 1732 693 Selective Selective 10393 1K04 LYS 941 H -5.962 4.919 -7.042 -1.708 1 1637 7297 1759 703 Selective Selective 10394 1K04 ILE 942 H -5.613 4.916 -6.889 -1.714 1 1757 8677 1785 704 Selective Selective 10395 1K04 GLN 943 C -5.605 4.995 -6.875 -1.725 1 1889 9786 1802 708 Selective Selective 10396 1K04 PRO 944 C -5.575 5.123 -6.862 -1.738 1 2045 11070 1830 708 Selective Selective 10397 1K04 ALA 945 C -5.614 5.317 -6.738 -1.749 1 2070 11415 1807 691 Selective Selective 10398 1K04 PRO 946 C -5.94 5.352 -7.008 -1.844 1 2083 11696 1760 662 Selective Selective 10399 1K04 PRO 947 G -6.82 6.845 -8 -2.245 2 1930 11399 1692 623 Selective Selective 10400 1K04 GLU 948 G -6.997 7.022 -7.599 -2.044 1 1587 10321 1607 578 Selective Selective 10401 1K04 GLU 949 G -7.843 7.888 -7.387 -1.703 1 1371 9418 1503 530 Selective Selective 10402 1K04 TYR 950 H -9.794 12.385 -9.855 -3.007 4 1174 8661 1397 469 Selective Selective 10403 1K04 VAL 951 H -9.415 9.87 -9.296 -2.108 4 1037 7911 1259 430 Selective Selective 10404 1K04 PRO 952 H -8.938 9.395 -9.281 -2.174 4 879 7029 1104 363 Selective Permissive 10405 1K04 MET 953 H -8.665 9.216 -9.56 -2.529 4 735 5756 958 311 Selective Permissive 10406 1K04 VAL 954 H -8.508 9.143 -9.673 -2.576 4 636 4558 809 246 Selective Permissive 10407 1K04 LYS 955 H -8.462 8.969 -9.781 -2.543 4 468 3181 670 192 Gatekeeper Permissive 10408 1K04 GLU 956 H -8.494 8.578 -10.12 -2.631 5 344 2083 535 138 Gatekeeper Inactive 10409 1K04 VAL 957 H -8.648 8.452 -10.442 -2.759 5 185 823 410 93 Gatekeeper Inactive 10410 1K04 GLY 958 H -8.892 7.876 -10.775 -2.502 5 169 493 313 58 Gatekeeper Inactive 10411 1K04 LEU 959 H -9.204 7.026 -11.367 -2.285 5 179 203 243 33 Gatekeeper Inactive 10412 1K04 ALA 960 H -9.359 7.232 -11.399 -2.31 5 192 195 211 18 Gatekeeper Inactive 10413 1K04 LEU 961 H -9.749 8.656 -11.541 -2.654 5 228 266 181 12 Gatekeeper Inactive 10414 1K04 ARG 962 H -9.93 8.324 -11.82 -2.68 5 261 287 183 17 Gatekeeper Inactive 10415 1K04 THR 963 H -9.815 8.929 -11.424 -2.807 5 415 322 194 29 Gatekeeper Inactive 10416 1K04 LEU 964 H -9.925 9.242 -11.406 -2.959 5 630 830 208 50 Gatekeeper Inactive 10417 1K04 LEU 965 H -9.967 9.128 -11.57 -3.087 5 803 1408 228 83 Selective Inactive 10418 1K04 ALA 966 H -9.152 7.353 -10.465 -2.216 5 924 1940 256 119 Selective Inactive 10419 1K04 THR 967 H -8.547 8.399 -9.81 -2.6 4 1015 2453 298 176 Selective Inactive 10420 1K04 VAL 968 H -8.443 9.158 -9.703 -2.85 4 1061 2802 337 233 Selective Inactive 10421 1K04 ASP 969 H -8.35 9.181 -9.827 -2.898 4 1137 3059 381 290 Selective Inactive 10422 1K04 GLU 970 H -8.034 9.221 -8.992 -2.521 4 1224 3295 420 347 Selective Inactive 10423 1K04 THR 971 H -8.063 9.694 -8.787 -2.556 4 1332 3608 454 404 Selective Inactive 10424 1K04 ILE 972 G -8.242 10.052 -8.529 -2.447 4 1365 3885 483 461 Selective Gatekeeper 10425 1K04 PRO 973 G -8.024 9.542 -8.576 -2.505 4 1417 4071 503 515 Selective Gatekeeper 10426 1K04 LEU 974 G -8.049 9.549 -8.5 -2.461 4 1382 3995 529 567 Selective Gatekeeper 10427 1K04 LEU 975 C -8.085 10.231 -8.326 -2.577 4 1354 3960 542 596 Selective Gatekeeper 10428 1K04 PRO 976 C -7.991 9.935 -8.42 -2.543 4 1215 3884 542 615 Selective Gatekeeper 10429 1K04 ALA 977 G -7.946 9.695 -8.592 -2.545 4 999 3368 541 617 Selective Gatekeeper 10430 1K04 SER 978 G -8.169 9.85 -8.621 -2.419 4 827 2768 533 597 Selective Gatekeeper 10431 1K04 THR 979 G -8.185 9.981 -8.52 -2.415 4 699 2230 512 569 Selective Gatekeeper 10432 1K04 HIS 980 H -8.538 9.186 -9.592 -2.588 4 603 1707 482 515 Gatekeeper Gatekeeper 10433 1K04 ARG 981 H -8.765 9.527 -9.938 -2.673 4 553 1349 468 462 Gatekeeper Gatekeeper 10434 1K04 GLU 982 H -8.967 10.663 -9.715 -2.794 4 453 1075 472 413 Gatekeeper Inactive 10435 1K04 ILE 983 H -9.187 11.333 -8.902 -2.354 4 341 815 465 365 Gatekeeper Inactive 10436 1K04 GLU 984 H -9.291 10.945 -8.836 -2.215 4 220 483 461 321 Gatekeeper Inactive 10437 1K04 MET 985 H -9.319 10.763 -8.89 -2.215 4 151 198 462 283 Gatekeeper Inactive 10438 1K04 ALA 986 H -10.175 11.455 -10.583 -2.944 4 97 10 458 235 Inactive Inactive 10439 1K04 GLN 987 H -11.143 9.025 -13.538 -3 5 95 6 457 184 Inactive Inactive 10440 1K04 LYS 988 H -9.796 8.404 -11.94 -3.376 5 91 5 454 162 Inactive Inactive 10441 1K04 LEU 989 H -9.803 8.418 -11.894 -3.367 5 76 3 471 166 Inactive Inactive 10442 1K04 LEU 990 H -9.838 8.442 -11.837 -3.417 5 76 3 480 195 Inactive Inactive 10443 1K04 ASN 991 H -9.815 8.476 -11.863 -3.393 5 75 3 503 261 Inactive Inactive 10444 1K04 SER 992 H -9.797 8.511 -11.901 -3.391 5 77 3 521 368 Inactive Inactive 10445 1K04 ASP 993 H -11.112 10.372 -13.155 -3.221 7 69 3 536 527 Inactive Gatekeeper 10446 1K04 LEU 994 H -10.689 11.73 -11.835 -3.221 7 64 3 540 673 Inactive Gatekeeper 10447 1K04 GLY 995 H -9.302 10.449 -9.267 -2.622 4 90 6 520 812 Inactive Gatekeeper 10448 1K04 GLU 996 H -9.29 10.584 -9.241 -2.632 4 104 7 527 932 Inactive Gatekeeper 10449 1K04 LEU 997 H -9.299 10.603 -9.179 -2.622 4 135 7 548 1058 Inactive Gatekeeper 10450 1K04 ILE 998 H -9.294 10.595 -9.227 -2.643 4 142 7 575 1194 Inactive Gatekeeper 10451 1K04 ASN 999 H -9.325 10.474 -9.15 -2.615 4 164 6 623 1354 Inactive Gatekeeper 10452 1K04 LYS 1000 H -11.003 13.025 -11.615 -3.515 7 171 6 688 1528 Inactive Selective 10453 1K04 MET 1001 H -11.706 11.754 -14.746 -4.805 7 179 5 765 1677 Inactive Selective 10454 1K04 LYS 1002 H -11.621 11.413 -14.695 -4.608 7 197 4 844 1759 Inactive Selective 10455 1K04 LEU 1003 H -12.107 12.349 -14.411 -4.074 7 238 4 914 1797 Inactive Selective 10456 1K04 ALA 1004 H -12.059 12.719 -13.961 -3.908 7 325 4 985 1819 Inactive Selective 10457 1K04 GLN 1005 H -10.831 11.254 -11.66 -3.218 7 502 4 1060 1821 Inactive Selective 10458 1K04 GLN 1006 H -8.584 9.167 -8.557 -2.386 4 568 4 1126 1750 Inactive Selective 10459 1K04 TYR 1007 H -7.975 8.636 -8.655 -2.482 4 640 6 1187 1678 Permissive Selective 10460 1K04 VAL 1008 T -4.862 6.227 -5.809 -2.894 1 683 3 1247 1602 Permissive Selective 10461 1K04 MET 1009 T -4.858 6.236 -5.826 -2.894 1 741 2 1283 1537 Permissive Selective 10462 1K04 THR 1010 T -4.858 6.237 -5.827 -2.894 1 742 2 1302 1461 Permissive Selective 10463 1K04 SER 1011 C -4.859 6.231 -5.822 -2.895 1 811 2 1290 1369 Permissive Selective 10464 1K04 LEU 1012 H -4.861 6.224 -5.812 -2.896 1 897 4 1259 1253 Permissive Selective 10465 1K04 GLN 1013 H -7.923 8.019 -9.005 -2.88 4 1031 5 1203 1130 Permissive Selective 10466 1K04 GLN 1014 H -10.162 8.367 -11.445 -2.653 5 1103 7 1135 1002 Permissive Selective 10467 1K04 GLU 1015 H -11.659 9.886 -14.129 -3.493 6 1118 7 1072 940 Permissive Selective 10468 1K04 TYR 1016 H -12.4 13.015 -14.824 -4.585 7 1116 9 1017 888 Permissive Selective 10469 1K04 LYS 1017 H -12.369 12.519 -15.047 -4.559 8 1099 9 938 813 Permissive Selective 10470 1K04 LYS 1018 H -10.688 9.261 -14.014 -4.543 6 943 10 849 701 Permissive Selective 10471 1K04 GLN 1019 H -10.664 9.206 -13.992 -4.464 5 914 25 771 616 Permissive Selective 10472 1K04 MET 1020 H -10.43 9.61 -12.764 -3.61 5 856 37 693 543 Permissive Selective 10473 1K04 LEU 1021 H -8.95 7.781 -8.633 -1.375 4 811 99 619 475 Permissive Gatekeeper 10474 1K04 THR 1022 H -8.585 7.636 -8.832 -1.5 4 746 133 553 411 Permissive Inactive 10475 1K04 ALA 1023 H -8.58 7.707 -8.755 -1.462 4 743 160 484 348 Permissive Inactive 10476 1K04 ALA 1024 H -8.543 7.823 -8.827 -1.503 4 668 165 430 285 Permissive Inactive 10477 1K04 HIS 1025 H -8.483 7.813 -8.853 -1.484 4 557 166 383 233 Inactive Inactive 10478 1K04 ALA 1026 H -8.801 7.966 -9.287 -1.706 4 444 181 352 177 Inactive Inactive 10479 1K04 LEU 1027 H -9.408 9.054 -9.781 -1.854 4 372 182 337 141 Inactive Inactive 10480 1K04 ALA 1028 H -8.757 7.298 -10.673 -2.709 5 344 186 320 87 Inactive Inactive 10481 1K04 VAL 1029 H -8.743 7.131 -10.858 -2.775 5 305 184 308 49 Inactive Inactive 10482 1K04 ASP 1030 H -8.848 6.981 -11.186 -3.055 5 247 184 324 26 Inactive Inactive 10483 1K04 ALA 1031 H -8.836 7.038 -11.167 -3.031 5 234 183 373 30 Inactive Inactive 10484 1K04 LYS 1032 H -8.798 7.107 -11.175 -3.01 5 203 168 439 35 Inactive Inactive 10485 1K04 ASN 1033 H -9.568 8.717 -11.532 -2.805 5 194 154 502 46 Inactive Inactive 10486 1K04 LEU 1034 H -9.902 9.668 -11.267 -2.733 5 187 92 575 69 Inactive Inactive 10487 1K04 LEU 1035 H -9.913 9.608 -11.291 -2.741 5 181 58 654 116 Inactive Inactive 10488 1K04 ASP 1036 H -10.004 9.551 -11.46 -2.895 5 147 31 743 175 Inactive Permissive 10489 1K04 VAL 1037 H -10.558 10.994 -11.968 -3.359 7 - - - - - - 10490 1K04 ILE 1038 H -11.025 12.33 -12.914 -3.705 7 - - - - - - 10491 1K04 ASP 1039 H -10.498 11.04 -14.228 -5.028 6 - - - - - - 10492 1K04 GLN 1040 H -9.647 10.407 -13.087 -5.107 6 - - - - - - 10493 1K04 ALA 1041 H -8.839 9.918 -11.565 -4.708 5 - - - - - - 10494 1K04 ARG 1042 H -6.986 7.379 -11.057 -5.102 3 - - - - - - 10495 1K04 LEU 1043 H -4.69 4.528 -9.379 -5.099 3 - - - - - - 10496 1K04 LYS 1044 H -4.151 4.408 -8.329 -4.34 2 - - - - - - 10497 1K04 MET 1045 H -3.561 3.311 -6.251 -2.799 1 - - - - - - 10498 1K04 LEU 1046 H -2.316 1.585 -2.809 -0.995 1 - - - - - - 10499 1K04 GLY 1047 T -2.316 1.585 -2.809 -0.995 1 - - - - - - 10500 1K04 GLN 1048 T -2.316 1.585 -2.809 -0.995 1 - - - - - - 10501 1K04 THR 1049 C -2.316 1.585 -2.809 -0.995 1 - - - - - - 10502 1K1B GLU 125 Q -1.353 1.354 -6.859 -4.046 1 - - - - - - 10503 1K1B ASP 126 T -1.353 1.354 -6.859 -4.046 1 - - - - - - 10504 1K1B GLY 127 T -1.353 1.354 -6.859 -4.046 1 - - - - - - 10505 1K1B ASP 128 T -1.353 1.354 -6.859 -4.046 1 - - - - - - 10506 1K1B THR 129 T -1.921 3.162 -6.794 -4.521 1 - - - - - - 10507 1K1B PRO 130 C -3.013 4.205 -7.878 -4.942 2 - - - - - - 10508 1K1B LEU 131 H -4.902 8.945 -8.724 -5.745 2 - - - - - - 10509 1K1B HIS 132 H -7.451 12.055 -12.323 -6.848 5 - - - - - - 10510 1K1B ILE 133 H -7.818 10.551 -11.181 -4.786 4 - - - - - - 10511 1K1B ALA 134 H -7.201 9.585 -9.232 -3.685 4 - - - - - - 10512 1K1B VAL 135 H -6.343 8.699 -8.987 -3.965 2 - - - - - - 10513 1K1B VAL 136 H -5.751 8.955 -8.393 -4.094 2 - - - - - - 10514 1K1B GLN 137 H -5.356 8.166 -8.45 -4.091 2 1357 4805 896 153 Selective Inactive 10515 1K1B GLY 138 H -5.255 8.057 -8.505 -4.063 2 1220 4816 863 144 Selective Inactive 10516 1K1B ASN 139 C -5.264 8.032 -8.502 -4.067 2 1070 4412 827 133 Selective Inactive 10517 1K1B LEU 140 C -5.342 7.977 -8.443 -4.064 2 971 4054 797 130 Selective Inactive 10518 1K1B PRO 141 H -5.565 7.46 -8.633 -4.011 2 993 4116 775 130 Selective Inactive 10519 1K1B ALA 142 H -6.263 7.751 -8.911 -3.841 2 956 3665 756 130 Selective Inactive 10520 1K1B VAL 143 H -7.625 9.885 -9.624 -3.546 4 820 3074 732 138 Selective Inactive 10521 1K1B HIS 144 H -8.373 10.001 -10.372 -3.295 4 677 2706 696 135 Selective Inactive 10522 1K1B ARG 145 H -8.615 9.69 -10.58 -3.191 4 629 2491 666 136 Gatekeeper Inactive 10523 1K1B LEU 146 H -9.376 11.203 -11.626 -3.565 4 582 2233 629 121 Gatekeeper Inactive 10524 1K1B VAL 147 H -9.544 10.81 -12.056 -3.699 5 556 1984 566 107 Gatekeeper Inactive 10525 1K1B ASN 148 H -9.613 10.354 -12.313 -3.764 5 553 1806 518 99 Gatekeeper Inactive 10526 1K1B LEU 149 H -9.904 9.892 -13.039 -3.919 5 600 1723 494 95 Gatekeeper Inactive 10527 1K1B PHE 150 H -9.069 6.905 -14.387 -4.915 6 633 1582 494 98 Gatekeeper Inactive 10528 1K1B GLN 151 H -7.315 3.4 -13.041 -4.279 5 573 1206 482 100 Inactive Inactive 10529 1K1B GLN 152 H -6.115 3.229 -11.373 -4.045 3 573 1067 484 108 Inactive Inactive 10530 1K1B GLY 153 H -5.971 4.371 -10.929 -4.058 2 544 922 477 104 Inactive Inactive 10531 1K1B GLY 154 H -5.967 4.419 -10.932 -4.062 2 498 727 469 96 Inactive Inactive 10532 1K1B ARG 155 C -5.968 4.425 -10.915 -4.058 2 422 623 471 92 Inactive Inactive 10533 1K1B GLU 156 C -6.027 4.593 -10.69 -4.04 2 401 528 496 91 Inactive Inactive 10534 1K1B LEU 157 T -6.846 8.735 -9.407 -4.129 4 355 433 545 104 Inactive Inactive 10535 1K1B ASP 158 T -8.516 12.083 -11.117 -4.549 5 344 378 577 118 Inactive Inactive 10536 1K1B ILE 159 T -8.272 10.45 -12.384 -5.122 5 339 368 618 151 Inactive Inactive 10537 1K1B TYR 160 T -8.13 9.914 -12.936 -5.352 6 352 390 677 196 Inactive Inactive 10538 1K1B ASN 161 C -7.741 8.841 -12.848 -5.317 6 408 447 723 230 Inactive Inactive 10539 1K1B ASN 162 B -7.679 9.023 -12.783 -5.291 6 405 416 758 273 Inactive Inactive 10540 1K1B LEU 163 T -7.685 9.007 -12.771 -5.291 6 431 378 774 305 Inactive Inactive 10541 1K1B ARG 164 T -7.861 8.945 -12.66 -5.251 5 545 396 776 339 Inactive Inactive 10542 1K1B GLN 165 T -7.984 8.884 -12.391 -5.164 5 772 766 779 389 Permissive Inactive 10543 1K1B THR 166 B -9.017 10.906 -12.188 -5.034 5 1055 1246 790 467 Permissive Inactive 10544 1K1B PRO 167 C -10.846 16.399 -11.821 -4.48 7 1438 1836 799 571 Selective Inactive 10545 1K1B LEU 168 H -11.012 17.571 -11.177 -4.357 7 1985 2139 817 654 Selective Gatekeeper 10546 1K1B HIS 169 H -10.962 17.263 -11.221 -4.265 7 2243 2255 821 716 Selective Gatekeeper 10547 1K1B LEU 170 H -10.213 14.883 -10.67 -3.854 7 2577 2487 792 786 Selective Gatekeeper 10548 1K1B ALA 171 H -8.552 11.874 -9.42 -3.703 4 2926 2754 761 840 Selective Gatekeeper 10549 1K1B VAL 172 H -8.071 12.079 -9.091 -3.707 4 3293 3018 728 868 Selective Gatekeeper 10550 1K1B ILE 173 H -7.888 11.532 -9.414 -3.705 4 3547 3135 699 888 Selective Gatekeeper 10551 1K1B THR 174 H -7.497 10.32 -9.767 -3.74 4 3683 3164 688 910 Selective Gatekeeper 10552 1K1B THR 175 H -7.346 10.508 -9.551 -3.67 4 3804 3500 699 912 Selective Gatekeeper 10553 1K1B LEU 176 C -7.383 10.515 -9.487 -3.616 4 3922 3983 730 920 Selective Gatekeeper 10554 1K1B PRO 177 C -7.492 10.168 -9.629 -3.593 4 4006 4405 779 927 Selective Gatekeeper 10555 1K1B SER 178 H -7.578 10.195 -9.523 -3.576 4 4113 4703 821 896 Selective Gatekeeper 10556 1K1B VAL 179 H -8.057 11.648 -8.75 -3.326 4 4063 4820 884 846 Selective Gatekeeper 10557 1K1B VAL 180 H -8.929 13.06 -8.385 -2.946 4 3908 4830 949 796 Selective Gatekeeper 10558 1K1B ARG 181 H -10.36 13.532 -10.511 -3.166 7 3563 5089 998 746 Selective Gatekeeper 10559 1K1B LEU 182 H -9.892 13.902 -9.68 -3.329 7 3484 5479 1049 694 Selective Selective 10560 1K1B LEU 183 H -7.854 10.237 -8.988 -3.495 4 3257 5702 1089 621 Selective Selective 10561 1K1B VAL 184 H -6.586 8.027 -8.915 -3.545 2 2997 5776 1117 550 Selective Permissive 10562 1K1B THR 185 H -6.485 7.773 -9.253 -3.585 2 2643 5794 1138 497 Selective Permissive 10563 1K1B ALA 186 H -6.481 7.783 -9.269 -3.585 2 2383 5847 1157 437 Selective Permissive 10564 1K1B GLY 187 H -6.482 7.769 -9.274 -3.586 2 2169 5794 1166 392 Selective Permissive 10565 1K1B ALA 188 C -6.541 7.522 -9.308 -3.596 2 2003 5446 1161 349 Selective Permissive 10566 1K1B SER 189 C -7.548 6.597 -11.121 -3.794 3 1818 4966 1149 316 Selective Permissive 10567 1K1B PRO 190 T -9.232 9.686 -11.864 -3.638 5 1604 4510 1121 291 Selective Permissive 10568 1K1B MET 191 T -10.005 10.951 -12.701 -3.904 7 1248 3820 1121 308 Selective Permissive 10569 1K1B ALA 192 T -10.304 11.461 -12.877 -3.903 7 963 3208 1108 317 Selective Permissive 10570 1K1B LEU 193 T -9.196 9.508 -12.442 -4.387 5 731 2608 1096 300 Selective Permissive 10571 1K1B ASP 194 C -9.131 9.373 -12.82 -4.56 5 530 2036 1093 324 Gatekeeper Permissive 10572 1K1B ARG 195 T -9.086 9.474 -12.958 -4.623 5 353 1523 1090 369 Gatekeeper Permissive 10573 1K1B HIS 196 T -9.083 9.482 -12.976 -4.628 5 276 1058 1104 417 Inactive Permissive 10574 1K1B GLY 197 T -9.092 9.5 -12.963 -4.644 5 258 702 1129 468 Inactive Permissive 10575 1K1B GLN 198 T -9.944 9.995 -14.977 -5.375 6 256 399 1166 508 Inactive Permissive 10576 1K1B THR 199 C -10.444 11.301 -14.72 -5.278 6 268 205 1180 538 Inactive Permissive 10577 1K1B ALA 200 C -11.145 13.015 -14.412 -4.766 7 287 120 1199 574 Inactive Permissive 10578 1K1B ALA 201 H -11.257 13.557 -13.934 -4.596 7 287 97 1205 612 Inactive Selective 10579 1K1B HIS 202 H -11.611 14.861 -13.358 -4.349 7 283 78 1212 641 Inactive Selective 10580 1K1B LEU 203 H -11.188 13.367 -13.815 -4.514 7 279 71 1225 664 Inactive Selective 10581 1K1B ALA 204 H -10.768 11.158 -14.543 -4.69 7 277 101 1217 655 Inactive Selective 10582 1K1B CYS 205 H -10.607 10.646 -15.003 -4.899 6 295 181 1203 649 Inactive Selective 10583 1K1B GLU 206 H -10.439 10.591 -14.923 -4.854 6 291 198 1191 639 Inactive Selective 10584 1K1B HIS 207 H -9.923 10.337 -13.832 -4.541 5 285 206 1177 614 Inactive Selective 10585 1K1B ARG 208 H -9.622 9.989 -13.492 -4.418 5 284 228 1164 586 Inactive Permissive 10586 1K1B SER 209 C -9.403 10.927 -12.831 -4.444 5 290 275 1173 590 Inactive Selective 10587 1K1B PRO 210 C -9.355 11.188 -12.653 -4.399 5 313 604 1187 613 Inactive Selective 10588 1K1B THR 211 H -9.352 11.27 -12.585 -4.378 5 433 1106 1186 676 Inactive Selective 10589 1K1B CYS 212 H -9.5 11.598 -12.452 -4.395 7 609 1758 1213 767 Gatekeeper Selective 10590 1K1B LEU 213 H -9.754 12.699 -12.099 -4.459 7 804 2404 1255 834 Selective Selective 10591 1K1B ARG 214 H -10.408 12.993 -12.454 -4.278 7 941 2994 1308 877 Selective Selective 10592 1K1B ALA 215 H -10.974 13.307 -13.36 -4.442 7 1133 3576 1344 895 Selective Selective 10593 1K1B LEU 216 H -10.661 14.56 -13.519 -5.346 7 1239 4059 1372 905 Selective Selective 10594 1K1B LEU 217 H -9.808 11.675 -13.548 -5.103 6 1292 4546 1403 937 Selective Selective 10595 1K1B ASP 218 H -8.289 6.426 -12.512 -4.107 5 1335 4988 1441 973 Selective Selective 10596 1K1B SER 219 H -5.369 5.166 -9.063 -3.89 2 1434 5389 1478 1040 Selective Selective 10597 1K1B ALA 220 H -3.379 3.665 -6.6 -3.32 1 1554 5878 1503 1121 Selective Selective 10598 1K1B ALA 221 C -2.759 5.712 -5.206 -3.391 1 1609 6103 1512 1169 Selective Selective 10599 1K1B PRO 222 T -2.731 5.811 -5.265 -3.415 1 1614 6185 1495 1170 Selective Selective 10600 1K1B GLY 223 T -2.731 5.813 -5.265 -3.415 1 1515 5858 1463 1136 Selective Selective 10601 1K1B THR 224 T -2.738 5.819 -5.219 -3.408 1 1362 5349 1457 1076 Selective Selective 10602 1K1B LEU 225 T -2.976 6.868 -4.551 -3.44 1 1149 4680 1439 1006 Selective Selective 10603 1K1B ASP 226 C -4.563 7.788 -6.41 -3.84 2 921 4018 1412 949 Selective Selective 10604 1K1B LEU 227 T -7.565 12.265 -8.565 -4.242 4 776 3426 1376 941 Selective Selective 10605 1K1B GLU 228 T -9.452 13.016 -11.656 -4.655 7 583 2839 1352 957 Gatekeeper Selective 10606 1K1B ALA 229 T -9.505 12.959 -11.517 -4.629 7 485 2356 1331 984 Gatekeeper Selective 10607 1K1B ARG 230 T -10.709 10.921 -14.543 -4.815 6 452 1862 1286 983 Gatekeeper Selective 10608 1K1B ASN 231 B -9.341 10.253 -13.092 -5.176 6 388 1348 1252 1002 Gatekeeper Selective 10609 1K1B TYR 232 T -8.998 11.019 -12.692 -5.161 6 294 935 1218 1002 Inactive Selective 10610 1K1B ASP 233 T -8.829 11.148 -12.546 -5.054 5 192 454 1191 991 Inactive Selective 10611 1K1B GLY 234 T -8.783 11.409 -12.452 -5.018 5 171 258 1185 1034 Inactive Selective 10612 1K1B LEU 235 T -8.788 11.443 -12.409 -5.014 5 221 198 1182 1137 Inactive Selective 10613 1K1B THR 236 C -9.067 12.204 -12.048 -4.91 7 326 252 1198 1311 Inactive Selective 10614 1K1B ALA 237 B -9.465 12.435 -11.921 -4.678 7 444 292 1204 1457 Inactive Selective 10615 1K1B LEU 238 H -10.209 14.853 -11.439 -4.513 7 525 312 1236 1628 Inactive Selective 10616 1K1B HIS 239 H -11.243 15.95 -12.263 -4.147 7 560 320 1275 1797 Inactive Selective 10617 1K1B VAL 240 H -10.945 13.503 -13.114 -4.164 7 606 337 1330 1924 Inactive Selective 10618 1K1B ALA 241 H -11.045 12.382 -13.843 -4.216 7 669 359 1369 2049 Permissive Selective 10619 1K1B VAL 242 H -11.089 11.695 -14.347 -4.329 7 779 397 1407 2170 Permissive Selective 10620 1K1B ASN 243 H -11.154 10.605 -15.22 -4.557 6 921 396 1469 2290 Permissive Selective 10621 1K1B THR 244 H -10.352 9.141 -16.224 -5.679 6 1008 396 1505 2350 Permissive Selective 10622 1K1B GLU 245 H -9.759 9.601 -15.446 -5.89 6 1078 429 1526 2366 Permissive Selective 10623 1K1B CYS 246 C -9.176 10.942 -13.319 -5.3 6 1088 454 1534 2340 Permissive Selective 10624 1K1B GLN 247 C -9.107 11.047 -13.303 -5.267 6 1062 412 1534 2297 Permissive Selective 10625 1K1B GLU 248 H -9.094 11.114 -13.287 -5.253 6 969 348 1540 2191 Permissive Selective 10626 1K1B THR 249 H -9.147 11.379 -12.962 -5.173 6 870 301 1521 2036 Permissive Selective 10627 1K1B VAL 250 H -9.316 11.852 -12.319 -4.949 7 767 291 1489 1914 Permissive Selective 10628 1K1B GLN 251 H -10.236 12.503 -13.246 -4.944 7 701 295 1426 1731 Permissive Selective 10629 1K1B LEU 252 H -11.051 14.518 -13.177 -4.762 7 689 327 1342 1522 Permissive Selective 10630 1K1B LEU 253 H -10.878 13.37 -13.423 -4.759 7 653 330 1239 1319 Inactive Selective 10631 1K1B LEU 254 H -9.837 11.014 -13.235 -4.784 7 587 310 1132 1116 Inactive Selective 10632 1K1B GLU 255 H -9.546 9.806 -13.935 -4.862 6 468 299 1016 910 Inactive Selective 10633 1K1B ARG 256 H -9.289 9.882 -13.5 -4.681 5 308 422 895 719 Inactive Gatekeeper 10634 1K1B GLY 257 H -8.074 8.908 -11.211 -4.204 5 220 560 788 567 Inactive Inactive 10635 1K1B ALA 258 C -7.935 9.227 -11.043 -4.124 5 146 568 710 463 Inactive Inactive 10636 1K1B ASP 259 C -7.738 9.317 -10.927 -4.085 4 115 657 670 392 Inactive Inactive 10637 1K1B ILE 260 T -7.747 9.347 -10.862 -4.069 4 99 797 635 322 Inactive Inactive 10638 1K1B ASP 261 T -7.759 9.308 -10.839 -4.061 4 109 972 600 284 Inactive Inactive 10639 1K1B ALA 262 T -8.169 9.78 -10.898 -3.977 4 106 1089 605 253 Inactive Inactive 10640 1K1B VAL 263 T -8.337 9.104 -11.396 -4.035 5 93 1140 606 221 Inactive Inactive 10641 1K1B ASP 264 C -8.933 5.792 -14.632 -4.31 5 96 1242 626 285 Inactive Inactive 10642 1K1B ILE 265 T -8.755 6.156 -14.483 -4.397 5 83 1275 666 447 Inactive Inactive 10643 1K1B LYS 266 T -8.77 6.179 -14.472 -4.419 5 107 1362 724 656 Gatekeeper Gatekeeper 10644 1K1B SER 267 T -8.812 6.199 -14.471 -4.476 5 169 1543 808 929 Gatekeeper Gatekeeper 10645 1K1B GLY 268 T -8.948 6.35 -14.496 -4.599 5 246 1702 921 1249 Gatekeeper Gatekeeper 10646 1K1B ARG 269 T -9.479 7.611 -14.133 -4.643 6 274 1616 1038 1653 Gatekeeper Selective 10647 1K1B SER 270 C -11.182 12.23 -14.998 -5 8 320 1546 1147 2074 Gatekeeper Selective 10648 1K1B PRO 271 C -11.569 15.938 -13.16 -4.523 7 395 1589 1240 2420 Gatekeeper Selective 10649 1K1B LEU 272 H -11.534 17.31 -12.153 -4.343 7 453 1471 1323 2798 Gatekeeper Selective 10650 1K1B ILE 273 H -11.568 17.438 -12.121 -4.362 7 472 1324 1397 3187 Gatekeeper Selective 10651 1K1B HIS 274 H -11.556 17.083 -12.391 -4.418 7 471 1144 1475 3561 Inactive Selective 10652 1K1B ALA 275 H -11.395 13.468 -14.495 -4.807 7 507 1033 1526 3841 Inactive Selective 10653 1K1B VAL 276 H -11.414 12.143 -15.506 -5.042 8 595 983 1563 4053 Inactive Selective 10654 1K1B GLU 277 H -11.496 10.362 -16.926 -5.369 8 683 883 1575 4104 Permissive Selective 10655 1K1B ASN 278 H -10.812 9.142 -16.131 -5.16 6 762 822 1560 4011 Permissive Selective 10656 1K1B ASN 279 H -10.438 10.27 -15.426 -5.263 6 762 718 1527 3878 Permissive Selective 10657 1K1B SER 280 C -10.4 10.817 -15.047 -5.194 6 724 537 1467 3691 Permissive Selective 10658 1K1B LEU 281 C -10.271 11.367 -14.588 -5.083 6 668 356 1398 3439 Inactive Selective 10659 1K1B SER 282 H -10.266 11.471 -14.528 -5.07 6 657 303 1328 3090 Inactive Selective 10660 1K1B MET 283 H -10.448 12.649 -14.024 -5.069 7 632 244 1250 2701 Inactive Selective 10661 1K1B VAL 284 H -10.797 13.988 -13.323 -4.766 7 577 191 1165 2358 Inactive Selective 10662 1K1B GLN 285 H -10.666 14.353 -12.916 -4.748 7 539 197 1062 1983 Inactive Selective 10663 1K1B LEU 286 H -10.076 15.626 -10.913 -4.589 7 565 228 957 1582 Inactive Gatekeeper 10664 1K1B LEU 287 H -8.207 12.578 -9.608 -4.539 4 634 265 839 1185 Inactive Gatekeeper 10665 1K1B LEU 288 H -6.481 10.503 -8.279 -4.378 4 620 265 735 876 Inactive Gatekeeper 10666 1K1B GLN 289 H -6.439 10.357 -8.532 -4.41 4 565 246 649 628 Inactive Gatekeeper 10667 1K1B HIS 290 H -6.427 10.363 -8.586 -4.411 4 499 228 577 476 Inactive Inactive 10668 1K1B GLY 291 H -6.417 10.328 -8.643 -4.409 4 486 271 526 395 Inactive Inactive 10669 1K1B ALA 292 C -6.443 10.226 -8.612 -4.402 4 502 279 493 323 Inactive Inactive 10670 1K1B ASN 293 C -7.704 9.055 -11.852 -4.663 5 519 280 501 251 Inactive Inactive 10671 1K1B VAL 294 T -8.208 9.995 -11.637 -4.416 5 532 269 518 206 Inactive Inactive 10672 1K1B ASN 295 T -8.551 9.453 -12.073 -4.394 5 555 267 549 208 Inactive Inactive 10673 1K1B ALA 296 T -9.171 10.446 -12.28 -4.48 5 576 247 587 233 Inactive Inactive 10674 1K1B GLN 297 T -9.457 10.331 -12.612 -4.709 5 647 217 662 314 Inactive Inactive 10675 1K1B MET 298 B -10.823 8.909 -16.484 -5.312 6 675 223 728 390 Permissive Inactive 10676 1K1B TYR 299 T -10.746 8.836 -16.581 -5.327 6 644 210 792 455 Inactive Inactive 10677 1K1B SER 300 T -10.68 8.883 -16.6 -5.305 6 627 360 860 498 Inactive Inactive 10678 1K1B GLY 301 T -10.528 9.803 -15.923 -5.19 6 615 431 912 518 Inactive Inactive 10679 1K1B SER 302 T -10.649 10.066 -15.729 -5.14 6 606 431 963 532 Inactive Inactive 10680 1K1B SER 303 C -10.958 11.589 -15.201 -5.032 6 598 571 995 552 Inactive Inactive 10681 1K1B ALA 304 B -11.06 12.502 -14.538 -4.859 7 564 744 1007 574 Inactive Inactive 10682 1K1B LEU 305 H -11.169 13.35 -13.987 -4.782 7 614 1003 1030 595 Inactive Selective 10683 1K1B HIS 306 H -11.515 12.597 -15.151 -4.8 7 633 1237 1022 600 Inactive Selective 10684 1K1B SER 307 H -11.226 11.206 -15.345 -4.672 7 671 1519 996 595 Selective Gatekeeper 10685 1K1B ALA 308 H -9.82 9.049 -13.67 -4.529 5 714 1816 944 554 Selective Inactive 10686 1K1B SER 309 H -9.642 9.027 -13.97 -4.64 6 799 2166 915 518 Selective Inactive 10687 1K1B GLY 310 H -8.909 10.386 -12.433 -4.684 5 792 2399 866 450 Selective Inactive 10688 1K1B ARG 311 H -8.804 10.562 -12.335 -4.621 5 811 2440 835 396 Selective Inactive 10689 1K1B GLY 312 H -8.592 11.38 -11.634 -4.497 5 893 2619 835 374 Selective Inactive 10690 1K1B LEU 313 T -8.651 11.808 -11.358 -4.477 5 1001 2595 862 375 Selective Inactive 10691 1K1B LEU 314 T -8.634 12.199 -11.052 -4.389 4 1108 2655 902 396 Selective Inactive 10692 1K1B PRO 315 H -8.918 13.421 -10.392 -4.107 4 1180 2793 937 414 Selective Inactive 10693 1K1B LEU 316 H -9.044 13.966 -10.009 -4.057 4 1238 2704 987 411 Selective Inactive 10694 1K1B VAL 317 H -9.654 15.406 -9.891 -3.758 7 1239 2490 1040 403 Selective Permissive 10695 1K1B ARG 318 H -9.141 12.965 -9.802 -3.393 4 1157 2225 1049 386 Selective Permissive 10696 1K1B THR 319 H -8.26 11.155 -9.429 -3.419 4 1130 1989 1057 380 Selective Permissive 10697 1K1B LEU 320 H -6.702 8.628 -8.294 -3.264 2 1130 1788 1068 371 Selective Permissive 10698 1K1B VAL 321 H -5.52 6.899 -7.452 -3.042 1 1103 1537 1079 379 Selective Permissive 10699 1K1B ARG 322 H -5.511 6.889 -7.511 -3.052 1 1112 1338 1064 384 Selective Permissive 10700 1K1B SER 323 H -5.512 6.883 -7.513 -3.053 1 1275 1317 1042 380 Selective Permissive 10701 1K1B GLY 324 H -5.512 6.852 -7.537 -3.059 1 1380 1391 1028 367 Selective Permissive 10702 1K1B ALA 325 C -5.589 6.631 -7.452 -3.034 1 1410 1373 984 335 Selective Inactive 10703 1K1B ASP 326 C -7.647 6.866 -11.899 -3.932 5 1345 1393 945 305 Selective Inactive 10704 1K1B SER 327 T -8.117 7.601 -12.484 -4.228 5 1262 1339 906 287 Selective Inactive 10705 1K1B SER 328 T -8.158 7.595 -12.417 -4.222 5 1200 1300 880 285 Permissive Inactive 10706 1K1B LEU 329 T -8.818 8.936 -12.725 -4.343 5 1152 1385 867 310 Selective Inactive 10707 1K1B LYS 330 T -7.491 4.472 -13.588 -4.928 3 1159 1549 859 363 Selective Inactive 10708 1K1B ASN 331 C -6.419 4.438 -12.28 -4.879 3 1192 1706 867 415 Selective Inactive 10709 1K1B CYS 332 T -6.202 4.928 -12.04 -4.841 3 1211 1793 879 463 Selective Inactive 10710 1K1B HIS 333 T -6.197 4.959 -12.043 -4.839 3 1204 1756 893 510 Selective Inactive 10711 1K1B ASN 334 T -6.197 4.961 -12.041 -4.838 3 1208 1785 910 542 Selective Inactive 10712 1K1B ASP 335 T -6.261 5.085 -11.852 -4.823 3 1152 1696 924 570 Selective Inactive 10713 1K1B THR 336 C -6.775 7.053 -11.078 -4.596 3 955 1508 932 602 Selective Gatekeeper 10714 1K1B PRO 337 C -7.382 11.453 -8.808 -3.76 4 863 1401 930 635 Selective Gatekeeper 10715 1K1B LEU 338 G -7.15 11.058 -8.664 -3.629 4 876 1223 951 673 Permissive Gatekeeper 10716 1K1B MET 339 G -7.084 10.789 -8.888 -3.629 4 866 1042 962 710 Permissive Gatekeeper 10717 1K1B VAL 340 G -7.09 10.732 -8.877 -3.606 4 - - - - - - 10718 1K1B ALA 341 G -7.172 10.032 -9.155 -3.469 4 - - - - - - 10719 1K1B ARG 342 C -7.351 9.291 -9.667 -3.414 4 - - - - - - 10720 1K1B SER 343 C -7.687 8.858 -10.555 -3.421 4 - - - - - - 10721 1K1B ARG 344 C -7.685 10.6 -10.46 -3.98 4 - - - - - - 10722 1K1B ARG 345 H -7.698 10.846 -10.424 -4.063 4 - - - - - - 10723 1K1B VAL 346 H -7.713 13.289 -10.183 -4.85 4 - - - - - - 10724 1K1B ILE 347 H -6.726 11.428 -8.773 -4.609 4 - - - - - - 10725 1K1B ASP 348 H -5.974 9.82 -8.114 -4.161 4 - - - - - - 10726 1K1B ILE 349 H -4.86 9.072 -5.974 -3.327 1 - - - - - - 10727 1K1B LEU 350 H -4.86 9.072 -5.974 -3.327 1 - - - - - - 10728 1K1B ARG 351 H -4.86 9.072 -5.974 -3.327 1 - - - - - - 10729 1K1B GLY 352 H -4.86 9.072 -5.974 -3.327 1 - - - - - - 10730 1K59 ASP 2 C -5.275 3.758 -9.074 -3.317 2 - - - - - - 10731 1K59 ASN 3 C -5.275 3.758 -9.074 -3.317 2 - - - - - - 10732 1K59 SER 4 H -5.275 3.758 -9.074 -3.317 2 - - - - - - 10733 1K59 ARG 5 H -5.275 3.758 -9.074 -3.317 2 - - - - - - 10734 1K59 TYR 6 H -9.003 10.047 -13.48 -5.045 6 - - - - - - 10735 1K59 THR 7 H -9.394 10.962 -13.796 -5.379 6 - - - - - - 10736 1K59 HIS 8 H -10.211 12.743 -14.284 -5.63 8 - - - - - - 10737 1K59 PHE 9 H -10.683 14.451 -12.562 -4.839 7 - - - - - - 10738 1K59 LEU 10 H -10.687 14.432 -12.53 -4.823 7 - - - - - - 10739 1K59 THR 11 H -10.692 14.397 -12.509 -4.817 7 - - - - - - 10740 1K59 GLN 12 H -12.535 15.533 -14.872 -5.347 8 - - - - - - 10741 1K59 HIS 13 H -13.325 12.276 -17.579 -5.247 8 - - - - - - 10742 1K59 TYR 14 B -10.592 10.739 -13.933 -4.606 7 1703 1006 1569 2754 Permissive Selective 10743 1K59 ASP 15 T -7.053 6.918 -10.565 -3.988 2 1638 1296 1498 2508 Permissive Permissive 10744 1K59 ALA 16 T -4.111 5.531 -7.232 -3.763 2 1670 1601 1448 2309 Permissive Inactive 10745 1K59 LYS 17 T -4.095 5.579 -7.302 -3.779 2 1713 1779 1423 2183 Selective Inactive 10746 1K59 PRO 18 T -4.093 5.585 -7.316 -3.782 2 1738 1962 1403 2177 Selective Inactive 10747 1K59 GLN 19 T -4.093 5.585 -7.318 -3.783 2 1957 1947 1441 2220 Selective Inactive 10748 1K59 GLY 20 T -4.097 5.576 -7.296 -3.781 2 2301 1970 1487 2361 Selective Permissive 10749 1K59 ARG 21 T -6.162 7.285 -10.046 -4.405 3 2892 1859 1524 2600 Selective Selective 10750 1K59 ASP 22 C -7.452 7.313 -12.142 -4.76 3 3176 1767 1562 2841 Selective Selective 10751 1K59 ASP 23 H -8.783 6.234 -14.908 -5.068 6 3399 1751 1599 3052 Selective Selective 10752 1K59 ARG 24 H -9.891 7.035 -15.59 -4.847 6 3581 1703 1644 3258 Permissive Selective 10753 1K59 TYR 25 H -11.035 9.122 -15.958 -5.012 6 3598 1601 1682 3447 Permissive Selective 10754 1K59 CYS 26 H -11.035 9.123 -15.96 -5.017 6 3632 1586 1721 3650 Permissive Selective 10755 1K59 GLU 27 H -12.989 11.503 -18.818 -5.555 8 3535 1341 1781 3838 Permissive Selective 10756 1K59 SER 28 H -12.742 11.021 -18.097 -5.109 8 3285 1040 1833 3949 Permissive Selective 10757 1K59 ILE 29 H -12.77 11.06 -18.005 -5.09 8 3063 794 1839 3933 Permissive Selective 10758 1K59 MET 30 H -12.646 10.705 -18.298 -5.154 8 2938 660 1787 3810 Permissive Selective 10759 1K59 ARG 31 H -12.289 9.454 -18.138 -5.002 6 2775 532 1732 3550 Permissive Selective 10760 1K59 ARG 32 H -11.674 9.915 -17.325 -5.305 6 2466 501 1659 3288 Permissive Selective 10761 1K59 ARG 33 H -10.221 10.763 -14.458 -5.233 6 2095 501 1604 3010 Permissive Selective 10762 1K59 GLY 34 C -6.624 9.759 -9.119 -4.461 4 1406 582 1570 2729 Permissive Selective 10763 1K59 LEU 35 T -6.613 9.79 -9.166 -4.467 4 1114 594 1520 2531 Permissive Selective 10764 1K59 THR 36 T -6.605 9.786 -9.218 -4.474 4 881 598 1480 2426 Inactive Inactive 10765 1K59 SER 37 T -6.601 9.766 -9.26 -4.477 4 680 619 1462 2397 Inactive Inactive 10766 1K59 PRO 38 T -6.6 9.764 -9.268 -4.478 4 611 647 1468 2444 Inactive Inactive 10767 1K59 CYS 39 T -8.479 9.933 -13.003 -4.903 5 487 557 1509 2573 Inactive Selective 10768 1K59 LYS 40 T -8.792 8.851 -13.97 -5.011 6 439 544 1554 2842 Inactive Selective 10769 1K59 ASP 41 T -9.203 8.251 -14.59 -5.013 6 386 522 1598 3174 Inactive Selective 10770 1K59 ILE 42 E -9.831 10.076 -14.655 -5.33 6 313 454 1674 3598 Inactive Selective 10771 1K59 ASN 43 E -10.852 10.869 -16.584 -6.021 8 260 416 1783 4064 Inactive Selective 10772 1K59 THR 44 E -11.173 11.868 -16.053 -6.001 8 262 387 1864 4417 Inactive Selective 10773 1K59 PHE 45 E -12.512 15.271 -16.143 -5.53 8 282 387 1930 4650 Inactive Selective 10774 1K59 ILE 46 E -10.824 11.594 -15.118 -5.532 8 293 349 1946 4745 Inactive Selective 10775 1K59 HIS 47 C -10.496 10.162 -15.919 -5.567 6 300 253 1930 4700 Inactive Selective 10776 1K59 GLY 48 C -9.137 6.767 -15.111 -5.145 6 364 262 1933 4641 Inactive Selective 10777 1K59 ASN 49 C -9.022 7.594 -14.765 -5.098 6 470 260 1936 4541 Inactive Selective 10778 1K59 LYS 50 H -9.019 7.62 -14.765 -5.097 6 601 296 1922 4397 Inactive Selective 10779 1K59 ARG 51 H -9.043 7.463 -14.753 -5.073 6 823 480 1904 4221 Inactive Selective 10780 1K59 SER 52 H -9.063 7.465 -14.664 -5.052 6 1040 1002 1844 3977 Inactive Selective 10781 1K59 ILE 53 H -9.939 12.015 -13.255 -4.902 7 1246 1481 1773 3591 Permissive Selective 10782 1K59 LYS 54 H -10.801 13.766 -14.392 -5.175 7 1437 1906 1691 3180 Selective Selective 10783 1K59 ALA 55 G -10.196 10.128 -15.153 -5.138 6 1664 2369 1575 2713 Selective Selective 10784 1K59 ILE 56 G -8.336 6.56 -13.934 -5.061 3 1950 2914 1448 2228 Selective Inactive 10785 1K59 CYS 57 G -7.921 5.336 -14.851 -5.342 6 2256 3514 1334 1851 Selective Inactive 10786 1K59 GLU 58 T -7.544 4.756 -14.989 -5.41 6 2501 3928 1231 1553 Selective Inactive 10787 1K59 ASN 59 T -7.265 5.26 -14.706 -5.529 6 2645 4323 1146 1339 Selective Inactive 10788 1K59 LYS 60 T -7.018 5.535 -14.301 -5.47 3 2673 4446 1079 1199 Selective Inactive 10789 1K59 ASN 61 T -7.074 5.477 -14.363 -5.521 3 2619 4488 1020 1053 Selective Inactive 10790 1K59 GLY 62 E -6.77 6.635 -12.834 -5.16 3 2541 4493 946 900 Selective Inactive 10791 1K59 ASN 63 E -5.725 7.008 -10.017 -4.601 3 2401 4425 883 760 Selective Inactive 10792 1K59 PRO 64 E -4.474 5.82 -8.362 -4.175 2 2162 4210 826 624 Selective Inactive 10793 1K59 HIS 65 E -4.013 6.833 -7.604 -4.19 2 1978 3660 809 545 Selective Inactive 10794 1K59 ARG 66 T -4.013 6.833 -7.605 -4.19 2 1777 3177 819 583 Selective Inactive 10795 1K59 GLU 67 T -4.015 6.829 -7.588 -4.188 2 1591 2749 873 741 Selective Inactive 10796 1K59 ASN 68 T -4.044 6.819 -7.487 -4.171 2 1368 2286 965 1061 Selective Inactive 10797 1K59 LEU 69 E -4.375 7.679 -6.982 -4.204 2 1082 1734 1078 1521 Permissive Inactive 10798 1K59 ARG 70 E -8.831 8.355 -12.869 -4.551 5 752 1107 1213 2063 Inactive Inactive 10799 1K59 ILE 71 E -10.569 9.769 -15.843 -5.328 6 482 662 1351 2758 Inactive Gatekeeper 10800 1K59 SER 72 E -10.588 9.802 -15.595 -5.22 6 322 261 1496 3396 Inactive Selective 10801 1K59 LYS 73 C -10.545 9.971 -15.617 -5.235 6 252 119 1622 3999 Inactive Selective 10802 1K59 SER 74 C -10.529 10.084 -15.604 -5.228 6 221 38 1736 4546 Inactive Selective 10803 1K59 SER 75 C -10.514 10.255 -15.572 -5.231 6 198 15 1845 5044 Inactive Selective 10804 1K59 PHE 76 E -11.204 12.646 -15.571 -5.409 8 230 198 1922 5475 Inactive Selective 10805 1K59 GLN 77 E -11.632 13.502 -15.879 -5.437 8 222 268 1981 5739 Inactive Selective 10806 1K59 VAL 78 E -11.548 13.149 -15.832 -5.396 8 193 710 2014 5859 Inactive Selective 10807 1K59 THR 79 E -11.608 12.89 -16.065 -5.48 8 315 1997 2008 5840 Gatekeeper Selective 10808 1K59 THR 80 E -11.69 12.115 -16.507 -5.522 8 396 3105 1967 5696 Gatekeeper Selective 10809 1K59 CYS 81 E -11.35 10.584 -17.238 -5.67 8 487 4213 1885 5377 Gatekeeper Selective 10810 1K59 LYS 82 E -8.055 7 -13.816 -5.529 6 616 5264 1776 4893 Gatekeeper Selective 10811 1K59 LEU 83 E -6.05 5.861 -11.154 -4.943 3 813 6499 1644 4329 Gatekeeper Selective 10812 1K59 HIS 84 E -4.369 3.846 -9.677 -4.6 2 966 7680 1505 3619 Gatekeeper Selective 10813 1K59 GLY 85 C -3.719 4.637 -8.391 -4.285 2 1140 9028 1364 2970 Selective Gatekeeper 10814 1K59 GLY 86 C -3.663 4.812 -8.353 -4.241 2 1236 9801 1238 2363 Selective Inactive 10815 1K59 SER 87 C -3.659 4.823 -8.359 -4.233 2 1266 10345 1115 1818 Selective Inactive 10816 1K59 PRO 88 C -3.666 4.817 -8.323 -4.221 2 1275 10984 1014 1330 Selective Inactive 10817 1K59 TRP 89 T -3.865 5.26 -7.814 -4.075 2 1234 10976 940 914 Selective Inactive 10818 1K59 PRO 90 T -5 6.593 -8.254 -3.792 2 1246 11080 868 661 Selective Inactive 10819 1K59 PRO 91 T -6.138 6.708 -10.093 -3.872 2 1223 10669 821 539 Selective Inactive 10820 1K59 CYS 92 T -6.592 7.238 -10.854 -4.424 3 1110 9433 826 529 Selective Inactive 10821 1K59 GLN 93 E -7.457 7.874 -12.586 -5.254 3 1044 8351 829 539 Selective Inactive 10822 1K59 TYR 94 E -9.464 11.276 -12.935 -5.158 6 961 7278 860 585 Gatekeeper Inactive 10823 1K59 ARG 95 E -9.1 6.754 -14.006 -4.538 5 827 6247 923 640 Gatekeeper Inactive 10824 1K59 ALA 96 E -6.379 8.472 -9.844 -4.715 3 632 5044 986 719 Gatekeeper Inactive 10825 1K59 THR 97 E -6.374 8.477 -9.873 -4.718 3 497 3892 1051 790 Gatekeeper Inactive 10826 1K59 ALA 98 E -6.37 8.483 -9.901 -4.721 3 354 2648 1123 856 Gatekeeper Inactive 10827 1K59 GLY 99 E -6.37 8.487 -9.905 -4.722 3 273 1936 1184 895 Gatekeeper Inactive 10828 1K59 PHE 100 E -6.375 8.506 -9.865 -4.724 3 294 1740 1235 917 Inactive Inactive 10829 1K59 ARG 101 E -8.806 9.54 -13.655 -5.133 6 331 1336 1275 926 Inactive Inactive 10830 1K59 ASN 102 C -9.185 10.013 -13.714 -5.182 6 382 1325 1318 919 Inactive Inactive 10831 1K59 VAL 103 C -9.715 13.722 -11.795 -4.403 7 499 1458 1345 890 Inactive Inactive 10832 1K59 VAL 104 E -9.711 13.987 -11.31 -4.128 7 552 1571 1337 829 Inactive Inactive 10833 1K59 VAL 105 E -7.471 9.177 -10.61 -4.458 4 564 1736 1274 721 Inactive Inactive 10834 1K59 ALA 106 E -4.741 5.866 -9.288 -4.855 2 583 1972 1210 620 Gatekeeper Inactive 10835 1K59 CYS 107 E -3.741 6.778 -8.06 -5.018 2 619 2231 1158 526 Gatekeeper Inactive 10836 1K59 GLU 108 E -3.652 7.164 -7.925 -4.961 2 672 2460 1085 452 Gatekeeper Inactive 10837 1K59 ASN 109 T -3.648 7.202 -7.924 -4.957 2 715 2660 1023 362 Gatekeeper Inactive 10838 1K59 GLY 110 T -3.649 7.2 -7.92 -4.957 2 798 2864 957 287 Gatekeeper Inactive 10839 1K59 LEU 111 E -3.75 7.451 -7.662 -4.973 2 - - - - - - 10840 1K59 PRO 112 E -4.793 9.684 -7.098 -4.577 2 - - - - - - 10841 1K59 VAL 113 E -6.507 12.158 -7.804 -4.435 4 - - - - - - 10842 1K59 HIS 114 E -8.268 11.99 -11.277 -4.676 5 - - - - - - 10843 1K59 LEU 115 E -8.33 11.284 -11.851 -4.797 5 - - - - - - 10844 1K59 ASP 116 C -8.279 11.459 -12.066 -5.013 5 - - - - - - 10845 1K59 GLY 117 C -8.074 11.937 -12.027 -5.279 5 - - - - - - 10846 1K59 SER 118 G -8.063 12.191 -11.876 -5.281 5 - - - - - - 10847 1K59 ILE 119 G -7.476 12.679 -9.452 -4.491 4 - - - - - - 10848 1K59 PHE 120 G -5.805 10.692 -6.256 -3.286 1 - - - - - - 10849 1K59 ARG 121 C -5.805 10.692 -6.256 -3.286 1 - - - - - - 10850 1K59 ARG 122 C -5.805 10.692 -6.256 -3.286 1 - - - - - - 10851 1K59 PRO 123 C -5.805 10.692 -6.256 -3.286 1 - - - - - - 10852 1KAO MET 1 C -8.181 10.604 -10.48 -4.256 4 - - - - - - 10853 1KAO ARG 2 C -8.181 10.604 -10.48 -4.256 4 - - - - - - 10854 1KAO GLU 3 E -8.181 10.604 -10.48 -4.256 4 - - - - - - 10855 1KAO TYR 4 E -8.181 10.604 -10.48 -4.256 4 - - - - - - 10856 1KAO LYS 5 E -10.857 13.054 -14.501 -5.59 8 - - - - - - 10857 1KAO VAL 6 E -10.25 16.049 -10.054 -4.053 7 - - - - - - 10858 1KAO VAL 7 E -10.154 15.783 -10.447 -4.117 7 - - - - - - 10859 1KAO VAL 8 E -9.193 12.862 -11.663 -4.769 7 - - - - - - 10860 1KAO LEU 9 E -8.569 10.246 -12.972 -5.186 6 - - - - - - 10861 1KAO GLY 10 C -7.328 7.294 -12.666 -5.204 3 - - - - - - 10862 1KAO SER 11 T -6.826 7.505 -12.276 -5.258 3 - - - - - - 10863 1KAO GLY 12 T -6.757 7.632 -12.356 -5.295 3 - - - - - - 10864 1KAO GLY 13 T -6.765 7.573 -12.364 -5.3 3 5105 8849 1897 3260 Selective Selective 10865 1KAO VAL 14 T -6.783 7.535 -12.323 -5.296 3 4742 8410 1883 3263 Selective Selective 10866 1KAO GLY 15 C -7.038 7.889 -12.163 -5.345 3 4528 7982 1843 3189 Selective Selective 10867 1KAO LYS 16 H -8.056 8.724 -13.038 -5.586 6 4138 7130 1768 3059 Selective Selective 10868 1KAO SER 17 H -10.521 12.015 -14.85 -5.104 6 3675 6170 1687 2905 Selective Selective 10869 1KAO ALA 18 H -10.802 13.278 -14.077 -4.855 7 3136 5314 1592 2783 Selective Selective 10870 1KAO LEU 19 H -11.128 14.494 -13.516 -4.772 7 2485 4285 1493 2689 Selective Gatekeeper 10871 1KAO THR 20 H -11.499 15.58 -12.714 -4.495 7 1975 3408 1397 2547 Selective Gatekeeper 10872 1KAO VAL 21 H -11.52 15.555 -12.664 -4.476 7 1614 2689 1308 2415 Selective Gatekeeper 10873 1KAO GLN 22 H -11.214 13.852 -14.609 -5.659 8 1229 1969 1236 2279 Selective Gatekeeper 10874 1KAO PHE 23 H -7.487 11.001 -9.825 -4.634 4 923 1272 1118 2018 Selective Inactive 10875 1KAO VAL 24 H -6.87 10.421 -9.923 -4.704 4 676 807 1021 1795 Selective Inactive 10876 1KAO THR 25 H -6.45 10.93 -9.351 -4.669 4 369 300 937 1590 Inactive Inactive 10877 1KAO GLY 26 C -5.912 10.18 -9.028 -4.615 4 277 185 859 1399 Inactive Inactive 10878 1KAO THR 27 C -5.738 10.022 -9.008 -4.536 4 241 181 786 1225 Inactive Inactive 10879 1KAO PHE 28 C -5.749 10.069 -8.981 -4.541 4 206 289 744 1090 Inactive Inactive 10880 1KAO ILE 29 C -5.733 10.06 -8.993 -4.549 4 227 342 722 971 Inactive Inactive 10881 1KAO GLU 30 C -5.759 9.672 -9.227 -4.563 4 205 376 708 874 Inactive Inactive 10882 1KAO LYS 31 C -6.021 9.545 -9.717 -4.561 4 218 409 716 757 Inactive Inactive 10883 1KAO TYR 32 C -6.281 9.472 -10.319 -4.712 3 228 453 732 661 Inactive Inactive 10884 1KAO ASP 33 T -5.98 8.834 -9.911 -4.487 4 308 510 723 597 Inactive Inactive 10885 1KAO PRO 34 T -6.099 8.571 -9.932 -4.426 4 393 552 734 527 Inactive Inactive 10886 1KAO THR 35 T -6.222 8.612 -9.752 -4.34 4 408 535 754 463 Inactive Inactive 10887 1KAO ILE 36 T -6.374 8.532 -9.558 -4.261 4 419 505 768 420 Inactive Inactive 10888 1KAO GLU 37 C -6.435 8.503 -9.391 -4.241 4 497 496 795 375 Inactive Inactive 10889 1KAO ASP 38 E -8.518 10.516 -12.042 -4.772 5 596 616 821 336 Gatekeeper Inactive 10890 1KAO PHE 39 E -8.64 10.712 -11.73 -4.772 5 793 821 850 309 Selective Inactive 10891 1KAO TYR 40 E -11.005 15.823 -13.71 -5.281 7 825 845 877 287 Selective Inactive 10892 1KAO ARG 41 E -7.983 12.828 -9.679 -4.755 4 791 713 905 262 Selective Inactive 10893 1KAO LYS 42 E -7.858 12.892 -9.861 -4.765 4 760 659 963 251 Selective Inactive 10894 1KAO GLU 43 E -7.627 12.229 -10.323 -4.805 4 746 625 1021 235 Selective Inactive 10895 1KAO ILE 44 E -7.028 10.187 -10.175 -4.439 4 751 647 1079 258 Selective Inactive 10896 1KAO GLU 45 E -5.947 7.232 -9.64 -4.136 2 737 612 1127 284 Selective Inactive 10897 1KAO VAL 46 E -5.798 6.949 -9.763 -4.078 2 664 559 1205 329 Permissive Inactive 10898 1KAO ASP 47 T -5.793 6.902 -9.806 -4.078 2 596 544 1286 396 Inactive Inactive 10899 1KAO SER 48 T -5.8 6.849 -9.79 -4.066 2 625 671 1362 504 Gatekeeper Inactive 10900 1KAO SER 49 E -5.849 6.661 -9.764 -4.052 2 658 823 1449 611 Selective Inactive 10901 1KAO PRO 50 E -6.585 6.656 -10.323 -3.989 2 615 945 1522 760 Gatekeeper Inactive 10902 1KAO SER 51 E -8.188 6.76 -12.878 -4.315 5 551 835 1589 948 Gatekeeper Permissive 10903 1KAO VAL 52 E -9.435 9.933 -12.645 -4.15 5 423 666 1653 1193 Gatekeeper Permissive 10904 1KAO LEU 53 E -10.838 13.513 -13.044 -4.386 7 427 636 1715 1496 Gatekeeper Permissive 10905 1KAO GLU 54 E -11.788 16.9 -13.531 -5.097 7 443 631 1771 1741 Gatekeeper Permissive 10906 1KAO ILE 55 E -12.07 17.344 -13.635 -4.928 7 476 648 1771 1918 Gatekeeper Permissive 10907 1KAO LEU 56 E -11.466 14.003 -14.662 -5.11 8 515 654 1766 2073 Gatekeeper Selective 10908 1KAO ASP 57 E -10.668 11.28 -15.156 -5.305 6 556 606 1737 2129 Inactive Selective 10909 1KAO THR 58 C -7.134 8.382 -10.882 -4.73 3 590 605 1726 2193 Inactive Selective 10910 1KAO ALA 59 C -6.843 7.813 -11.431 -4.825 3 636 623 1701 2279 Gatekeeper Selective 10911 1KAO GLY 60 T -6.61 7.716 -11.693 -4.977 3 697 609 1654 2309 Permissive Selective 10912 1KAO THR 61 T -6.567 7.698 -11.792 -4.985 3 680 479 1620 2309 Permissive Selective 10913 1KAO GLU 62 T -6.562 7.688 -11.816 -4.985 3 658 324 1595 2285 Permissive Selective 10914 1KAO GLN 63 T -6.844 7.267 -12.404 -5.142 3 660 214 1583 2242 Permissive Selective 10915 1KAO PHE 64 C -7.133 7.492 -12.484 -5.247 3 668 255 1575 2176 Permissive Selective 10916 1KAO ALA 65 H -8.042 7.413 -13.381 -5.069 3 791 291 1550 2063 Permissive Selective 10917 1KAO SER 66 H -9.21 7.064 -15.201 -4.964 6 791 339 1531 1902 Permissive Permissive 10918 1KAO MET 67 H -9.915 7.654 -15.539 -4.777 6 811 473 1535 1826 Permissive Permissive 10919 1KAO ARG 68 H -10.328 8.416 -15.155 -4.705 6 823 635 1589 1843 Selective Permissive 10920 1KAO ASP 69 H -11.835 9.985 -17.268 -5.032 6 831 820 1666 1914 Selective Permissive 10921 1KAO LEU 70 H -10.703 12.266 -13.816 -4.858 7 884 1302 1769 2161 Selective Selective 10922 1KAO TYR 71 H -9.918 13.22 -12.981 -5.209 7 927 1628 1857 2362 Selective Selective 10923 1KAO ILE 72 H -8.304 9.617 -12.534 -5.193 5 1023 1990 1944 2471 Selective Selective 10924 1KAO LYS 73 H -7.114 7.173 -12.576 -5.328 3 1213 2469 2038 2719 Selective Selective 10925 1KAO ASN 74 H -7.11 7.199 -12.585 -5.329 3 1342 2922 2113 2945 Selective Selective 10926 1KAO GLY 75 C -7.11 7.212 -12.582 -5.329 3 1407 3197 2145 3159 Selective Selective 10927 1KAO GLN 76 C -7.113 7.174 -12.581 -5.329 3 1450 3344 2162 3342 Selective Selective 10928 1KAO GLY 77 E -7.191 6.886 -12.585 -5.346 3 1551 3527 2160 3489 Selective Selective 10929 1KAO PHE 78 E -9.754 13.745 -12.798 -5.159 7 1679 3733 2166 3694 Selective Selective 10930 1KAO ILE 79 E -10.198 16.361 -11.368 -4.797 7 1793 3822 2180 3887 Selective Selective 10931 1KAO LEU 80 E -10.735 19.065 -9.752 -4.309 7 1814 3758 2177 4033 Selective Selective 10932 1KAO VAL 81 E -10.812 19.137 -9.464 -4.215 7 1784 3598 2137 4113 Selective Selective 10933 1KAO TYR 82 E -12.055 17.483 -13.715 -5.07 8 1742 3406 2099 4150 Selective Selective 10934 1KAO SER 83 E -10.614 12.287 -14.257 -5.257 6 1624 2941 2037 4010 Selective Selective 10935 1KAO LEU 84 T -10.388 11.78 -14.612 -5.281 6 1542 2619 1983 3955 Selective Selective 10936 1KAO VAL 85 T -9.916 9.861 -15.34 -5.401 6 1388 2245 1939 4048 Selective Selective 10937 1KAO ASN 86 T -9.912 9.857 -15.367 -5.408 6 1123 1776 1897 4133 Selective Selective 10938 1KAO GLN 87 H -9.921 9.757 -15.388 -5.41 6 968 1355 1859 4251 Selective Selective 10939 1KAO GLN 88 H -10.119 8.934 -15.825 -5.465 6 870 1079 1848 4435 Selective Selective 10940 1KAO SER 89 H -10.257 8.392 -15.972 -5.507 6 782 909 1819 4657 Selective Selective 10941 1KAO PHE 90 H -12.279 13.404 -17.068 -5.839 8 641 678 1808 4798 Gatekeeper Selective 10942 1KAO GLN 91 H -11.001 10.593 -15.56 -5.258 6 318 396 1797 4726 Inactive Selective 10943 1KAO ASP 92 H -10.843 10.947 -15.567 -5.294 6 163 243 1777 4693 Inactive Selective 10944 1KAO ILE 93 H -10.832 11.053 -15.553 -5.296 6 108 173 1760 4635 Inactive Selective 10945 1KAO LYS 94 H -10.796 11.134 -15.622 -5.316 6 114 171 1760 4569 Inactive Selective 10946 1KAO PRO 95 H -10.813 10.992 -15.634 -5.305 6 138 180 1734 4500 Inactive Selective 10947 1KAO MET 96 H -11.499 12.424 -15.932 -5.476 8 207 155 1724 4468 Inactive Selective 10948 1KAO ARG 97 H -12.161 13.091 -16.756 -5.561 8 229 143 1710 4304 Inactive Selective 10949 1KAO ASP 98 H -11.771 10.792 -16.673 -5.005 8 260 173 1684 4007 Inactive Selective 10950 1KAO GLN 99 H -11.158 11.523 -14.589 -4.461 7 299 203 1642 3592 Inactive Selective 10951 1KAO ILE 100 H -9.839 16.675 -13.084 -6.63 7 419 327 1581 3157 Inactive Selective 10952 1KAO ILE 101 H -9.259 13.724 -12.767 -5.48 7 535 436 1514 2679 Inactive Gatekeeper 10953 1KAO ARG 102 H -8.335 10.483 -11.624 -4.449 5 736 540 1457 2174 Permissive Gatekeeper 10954 1KAO VAL 103 H -7.268 9.277 -10.782 -4.545 5 875 659 1423 1793 Selective Inactive 10955 1KAO LYS 104 H -6.374 7.4 -10.577 -4.475 3 1047 876 1409 1618 Selective Inactive 10956 1KAO ARG 105 T -4.512 8.046 -6.707 -3.864 2 1265 1199 1394 1407 Selective Inactive 10957 1KAO TYR 106 T -4.481 8.164 -6.766 -3.876 2 1378 1451 1380 1261 Selective Inactive 10958 1KAO GLU 107 T -4.444 8.381 -6.746 -3.869 2 1486 1748 1382 1175 Selective Inactive 10959 1KAO LYS 108 C -4.443 8.44 -6.71 -3.86 2 1591 2070 1384 1104 Selective Inactive 10960 1KAO VAL 109 C -4.46 8.491 -6.592 -3.842 2 1642 2371 1390 1083 Selective Inactive 10961 1KAO PRO 110 C -5.705 11.459 -7.01 -3.878 4 1703 2537 1387 1175 Selective Inactive 10962 1KAO VAL 111 E -6.01 12.202 -6.431 -3.723 4 1749 2512 1395 1332 Selective Inactive 10963 1KAO ILE 112 E -7.197 15.368 -5.833 -3.506 4 1766 2459 1410 1494 Selective Inactive 10964 1KAO LEU 113 E -9.163 17.8 -8.073 -3.845 4 1673 2304 1455 1658 Selective Inactive 10965 1KAO VAL 114 E -9.706 16.098 -9.881 -4.08 7 1578 2193 1487 1841 Selective Inactive 10966 1KAO GLY 115 E -9.771 15.491 -10.364 -4.248 7 1413 2085 1508 1991 Selective Inactive 10967 1KAO ASN 116 E -10.653 11.551 -15.707 -5.4 8 1278 1955 1499 2104 Selective Gatekeeper 10968 1KAO LYS 117 T -9.679 9.946 -14.799 -5.504 6 1121 1734 1471 2094 Selective Gatekeeper 10969 1KAO VAL 118 T -7.714 7.062 -12.57 -4.83 3 933 1410 1453 2078 Selective Gatekeeper 10970 1KAO ASP 119 T -7.115 6.002 -12.763 -4.825 3 884 1153 1417 2000 Selective Inactive 10971 1KAO LEU 120 T -7.066 6.089 -12.801 -4.81 3 801 838 1365 1897 Selective Inactive 10972 1KAO GLU 121 G -7.062 6.093 -12.821 -4.812 3 735 511 1304 1775 Permissive Inactive 10973 1KAO SER 122 G -7.068 6.058 -12.806 -4.805 3 647 215 1218 1621 Inactive Inactive 10974 1KAO GLU 123 G -7.3 5.628 -12.958 -4.806 3 610 58 1139 1426 Inactive Inactive 10975 1KAO ARG 124 C -8.503 7.127 -13.508 -4.693 5 538 46 1047 1210 Inactive Inactive 10976 1KAO GLU 125 C -9.88 7.216 -15.795 -5.154 6 479 45 965 1032 Inactive Inactive 10977 1KAO VAL 126 C -11.001 8.644 -16.533 -4.813 6 478 52 863 855 Inactive Inactive 10978 1KAO SER 127 C -10.269 6.829 -16.298 -4.866 6 469 67 789 670 Inactive Inactive 10979 1KAO SER 128 H -10.058 7.083 -16.157 -4.81 6 439 93 742 514 Inactive Inactive 10980 1KAO SER 129 H -9.442 6.742 -15.248 -4.568 6 434 127 688 366 Inactive Inactive 10981 1KAO GLU 130 H -9.362 7.224 -15.091 -4.579 6 420 152 663 285 Inactive Inactive 10982 1KAO GLY 131 H -9.094 8.404 -14.122 -4.463 5 389 172 662 206 Inactive Inactive 10983 1KAO ARG 132 H -8.859 8.727 -13.246 -4.162 5 319 188 701 195 Inactive Inactive 10984 1KAO ALA 133 H -7.539 7.36 -11.172 -3.869 5 272 191 757 284 Inactive Inactive 10985 1KAO LEU 134 H -7.548 7.444 -11.095 -3.865 5 199 182 849 435 Inactive Inactive 10986 1KAO ALA 135 H -7.302 8.118 -11.259 -4.23 5 153 174 971 666 Inactive Inactive 10987 1KAO GLU 136 H -6.573 8.483 -11.028 -4.965 3 105 167 1125 999 Inactive Inactive 10988 1KAO GLU 137 H -6.554 8.572 -11.051 -4.983 3 100 163 1269 1298 Inactive Inactive 10989 1KAO TRP 138 H -6.663 8.869 -11.074 -5.218 3 95 161 1382 1558 Inactive Inactive 10990 1KAO GLY 139 C -6.657 8.895 -11.082 -5.217 3 84 155 1503 1815 Inactive Inactive 10991 1KAO CYS 140 C -6.73 8.826 -11.014 -5.254 3 72 139 1610 2068 Inactive Selective 10992 1KAO PRO 141 C -8.308 11.304 -11.945 -5.172 5 71 112 1700 2321 Inactive Selective 10993 1KAO PHE 142 E -9.172 12.946 -12.167 -5.154 7 86 78 1810 2657 Inactive Selective 10994 1KAO MET 143 E -9.263 12.408 -12.258 -5.117 7 86 53 1881 2968 Inactive Selective 10995 1KAO GLU 144 E -10.581 15.224 -13.808 -5.614 8 86 33 1938 3346 Inactive Selective 10996 1KAO THR 145 C -10.284 13.248 -14.224 -5.471 8 101 17 1943 3604 Inactive Selective 10997 1KAO SER 146 T -10.46 11.858 -15.032 -5.464 6 121 13 1911 3681 Inactive Selective 10998 1KAO ALA 147 T -9.812 9.902 -14.861 -5.233 6 127 12 1877 3727 Inactive Selective 10999 1KAO LYS 148 T -9.427 9.031 -15.099 -5.316 6 138 12 1827 3716 Inactive Selective 11000 1KAO SER 149 T -9.377 8.842 -15.139 -5.248 6 160 9 1759 3708 Inactive Selective 11001 1KAO LYS 150 H -9.382 8.593 -15.227 -5.215 6 169 6 1716 3790 Inactive Selective 11002 1KAO THR 151 H -9.165 8.389 -14.992 -5.045 6 196 2 1683 3822 Inactive Selective 11003 1KAO MET 152 H -9.315 8.221 -15.055 -5.02 6 224 0 1651 3852 Inactive Selective 11004 1KAO VAL 153 H -9.617 8.304 -14.837 -4.757 6 286 2 1619 3880 Inactive Selective 11005 1KAO ASP 154 H -9.726 8.245 -14.724 -4.738 6 392 5 1600 3883 Inactive Selective 11006 1KAO GLU 155 H -9.84 8.138 -14.53 -4.687 6 - - - - - - 11007 1KAO LEU 156 H -12.029 14.993 -14.992 -4.937 8 - - - - - - 11008 1KAO PHE 157 H -12.11 17.5 -13.737 -4.867 7 - - - - - - 11009 1KAO ALA 158 H -12.269 17.493 -13.87 -4.887 7 - - - - - - 11010 1KAO GLU 159 H -12.448 18.227 -13.543 -4.893 7 - - - - - - 11011 1KAO ILE 160 H -12.515 18.355 -13.327 -4.846 7 - - - - - - 11012 1KAO VAL 161 H -12.551 17.87 -13.845 -5.058 8 - - - - - - 11013 1KAO ARG 162 H -12.474 13.288 -18.034 -6.549 8 - - - - - - 11014 1KAO GLN 163 H -8.338 11.218 -11.769 -5.383 5 - - - - - - 11015 1KAO MET 164 H -5.766 8.264 -8.35 -4.057 2 - - - - - - 11016 1KAO ASN 165 H -5.766 8.264 -8.35 -4.057 2 - - - - - - 11017 1KAO TYR 166 H -5.766 8.264 -8.35 -4.057 2 - - - - - - 11018 1KAO ALA 167 C -5.766 8.264 -8.35 -4.057 2 - - - - - - 11019 1KCQ VAL 158 C -8.352 8.72 -11.03 -3.746 5 - - - - - - 11020 1KCQ VAL 159 C -8.352 8.72 -11.03 -3.746 5 - - - - - - 11021 1KCQ GLN 160 E -8.352 8.72 -11.03 -3.746 5 - - - - - - 11022 1KCQ ARG 161 E -8.352 8.72 -11.03 -3.746 5 - - - - - - 11023 1KCQ LEU 162 E -11.069 13.062 -13.298 -4.595 7 - - - - - - 11024 1KCQ PHE 163 E -13.83 16.807 -16.944 -5.785 8 - - - - - - 11025 1KCQ GLN 164 E -13.733 14.821 -17.906 -5.773 8 - - - - - - 11026 1KCQ VAL 165 E -13.386 13.391 -18.622 -5.803 8 - - - - - - 11027 1KCQ LYS 166 T -12.45 9.615 -20.531 -6.661 8 - - - - - - 11028 1KCQ GLY 167 T -9.542 9.219 -13.833 -4.862 6 - - - - - - 11029 1KCQ ARG 168 T -9.358 9.157 -13.7 -4.607 5 - - - - - - 11030 1KCQ ARG 169 T -8.374 9.203 -11.25 -3.765 5 - - - - - - 11031 1KCQ VAL 170 T -6.498 9.637 -7.682 -3.295 4 177 366 1008 1263 Inactive Inactive 11032 1KCQ VAL 171 E -6.35 10.214 -7.741 -3.437 4 184 398 949 1247 Inactive Inactive 11033 1KCQ ARG 172 E -6.283 10.284 -7.877 -3.49 4 180 406 893 1254 Inactive Inactive 11034 1KCQ ALA 173 E -5.958 9.985 -8.302 -3.86 4 188 456 854 1238 Inactive Inactive 11035 1KCQ THR 174 E -5.607 9.692 -8.405 -4.11 2 226 500 819 1279 Inactive Inactive 11036 1KCQ GLU 175 E -5.691 9.71 -8.756 -4.358 4 294 628 782 1352 Inactive Inactive 11037 1KCQ VAL 176 C -5.735 9.516 -8.821 -4.391 4 432 1016 774 1520 Inactive Inactive 11038 1KCQ PRO 177 C -5.756 9.494 -8.813 -4.411 4 478 1301 790 1841 Inactive Inactive 11039 1KCQ VAL 178 C -5.967 9.465 -8.781 -4.431 4 528 1406 833 2313 Inactive Gatekeeper 11040 1KCQ SER 179 G -7.038 10.182 -9.872 -4.566 4 603 1554 906 2980 Gatekeeper Gatekeeper 11041 1KCQ TRP 180 G -8.405 13.705 -9.948 -4.546 4 676 1680 1028 3748 Gatekeeper Gatekeeper 11042 1KCQ GLU 181 G -8.466 13.58 -9.863 -4.536 4 764 1752 1136 4465 Gatekeeper Gatekeeper 11043 1KCQ SER 182 C -9.86 14.963 -11.503 -4.941 7 818 1832 1234 5201 Gatekeeper Gatekeeper 11044 1KCQ PHE 183 T -11.121 17.879 -12.298 -5.435 7 873 1979 1329 5827 Gatekeeper Selective 11045 1KCQ ASN 184 T -12.244 16.899 -15.441 -6.059 8 1116 2247 1421 6417 Selective Selective 11046 1KCQ ASN 185 T -12.813 13.162 -18.334 -6.155 8 1216 2352 1478 6820 Selective Selective 11047 1KCQ GLY 186 T -12.938 13.15 -18.378 -5.983 8 1245 2323 1538 7097 Selective Selective 11048 1KCQ ASP 187 E -12.92 13.578 -18.046 -5.902 8 1246 2292 1574 7297 Selective Selective 11049 1KCQ CYS 188 E -12.826 14.447 -17.405 -5.774 8 1242 2282 1620 7444 Selective Selective 11050 1KCQ PHE 189 E -12.928 16.674 -15.953 -5.498 8 1243 2126 1652 7431 Selective Selective 11051 1KCQ ILE 190 E -12.267 16.351 -14.558 -5.143 8 1248 1924 1660 7222 Selective Selective 11052 1KCQ LEU 191 E -11.385 13.421 -14.777 -5.219 8 1247 1861 1655 6863 Selective Selective 11053 1KCQ ASP 192 E -9.48 9.551 -14.344 -5.45 6 1264 1819 1626 6301 Selective Selective 11054 1KCQ LEU 193 T -7.985 11.065 -11.143 -5.029 4 1309 1850 1573 5657 Selective Selective 11055 1KCQ GLY 194 T -7.976 11.082 -11.189 -5.036 4 1459 2157 1533 5088 Selective Selective 11056 1KCQ ASN 195 E -7.976 11.08 -11.188 -5.036 4 1607 2383 1491 4512 Selective Selective 11057 1KCQ ASN 196 E -7.978 11.076 -11.178 -5.036 4 1758 2459 1485 4133 Selective Selective 11058 1KCQ ILE 197 E -8.025 11.215 -10.919 -5.001 4 1818 2415 1494 3896 Selective Selective 11059 1KCQ HIS 198 E -10.436 12.194 -14.082 -5.479 6 2171 2651 1568 3949 Selective Selective 11060 1KCQ GLN 199 E -13.693 14.792 -17.891 -6.136 8 2535 2989 1608 4023 Selective Selective 11061 1KCQ TRP 200 E -11.934 11.488 -16.917 -5.889 8 2822 3170 1658 3932 Selective Selective 11062 1KCQ CYS 201 T -10.042 7.231 -16.699 -5.775 6 3262 3221 1677 3707 Selective Selective 11063 1KCQ GLY 202 T -10.04 7.239 -16.718 -5.784 6 3504 3043 1681 3516 Selective Selective 11064 1KCQ SER 203 T -9.925 7.232 -16.805 -5.711 6 3747 2964 1680 3383 Selective Selective 11065 1KCQ ASN 204 T -9.88 7.447 -16.797 -5.71 6 3859 2895 1679 3306 Selective Selective 11066 1KCQ SER 205 C -9.897 7.329 -16.799 -5.705 6 3838 2722 1691 3247 Selective Selective 11067 1KCQ ASN 206 H -10.721 8.181 -17.137 -5.506 6 3782 2511 1698 3179 Selective Selective 11068 1KCQ ARG 207 H -10.709 8.237 -17.085 -5.462 6 3659 2060 1705 3090 Selective Selective 11069 1KCQ TYR 208 H -11.347 10.299 -16.849 -5.654 8 3468 1726 1694 2979 Selective Selective 11070 1KCQ GLU 209 H -12.502 11.253 -17.926 -5.34 8 3248 1486 1622 2728 Selective Selective 11071 1KCQ ARG 210 H -11.728 11.697 -15.989 -5.08 8 2931 1218 1532 2327 Permissive Selective 11072 1KCQ LEU 211 H -8.989 10.557 -12.073 -4.664 5 2479 857 1391 1766 Permissive Permissive 11073 1KCQ LYS 212 H -8.989 10.563 -12.07 -4.666 5 2068 490 1285 1306 Permissive Permissive 11074 1KCQ ALA 213 H -8.936 10.66 -12.183 -4.678 5 1746 279 1191 1039 Permissive Inactive 11075 1KCQ THR 214 H -8.892 10.677 -12.334 -4.709 5 1259 116 1126 934 Permissive Inactive 11076 1KCQ GLN 215 H -8.855 10.674 -12.48 -4.756 5 895 162 1094 918 Inactive Inactive 11077 1KCQ VAL 216 H -9.688 11.408 -14.132 -5.148 6 619 278 1073 987 Inactive Inactive 11078 1KCQ SER 217 H -9.689 11.393 -14.126 -5.14 6 482 404 1059 1045 Inactive Inactive 11079 1KCQ LYS 218 H -9.873 11.286 -14.514 -5.294 6 408 502 1038 1122 Inactive Inactive 11080 1KCQ GLY 219 H -9.713 10.577 -14.551 -5.254 6 358 572 1013 1204 Inactive Inactive 11081 1KCQ ILE 220 H -9.791 10.525 -14.599 -5.218 6 267 584 978 1273 Inactive Inactive 11082 1KCQ ARG 221 H -9.893 10.033 -14.745 -5.195 6 350 621 961 1343 Inactive Inactive 11083 1KCQ ASP 222 H -9.433 8.592 -15.226 -5.285 6 394 643 975 1443 Inactive Inactive 11084 1KCQ ASN 223 H -8.402 7.657 -14.092 -5.313 6 414 648 998 1574 Inactive Inactive 11085 1KCQ GLU 224 H -8.432 7.512 -14.103 -5.32 6 426 646 1036 1721 Inactive Inactive 11086 1KCQ ARG 225 T -8.433 7.422 -14.124 -5.302 6 448 640 1059 1846 Inactive Inactive 11087 1KCQ SER 226 T -8.43 7.405 -14.141 -5.295 6 488 633 1074 1955 Inactive Inactive 11088 1KCQ GLY 227 T -8.492 7.408 -13.975 -5.288 6 525 623 1096 2014 Inactive Gatekeeper 11089 1KCQ ARG 228 C -10.471 5.438 -17.104 -4.447 6 578 564 1101 2053 Inactive Gatekeeper 11090 1KCQ ALA 229 E -10.003 8.607 -14.768 -4.499 6 621 463 1091 2045 Inactive Gatekeeper 11091 1KCQ ARG 230 E -10.132 9.566 -14.361 -4.591 6 656 381 1085 1996 Inactive Gatekeeper 11092 1KCQ VAL 231 E -9.115 11.077 -12.914 -5.151 6 697 290 1092 1964 Inactive Gatekeeper 11093 1KCQ HIS 232 E -9.105 11.065 -12.977 -5.162 6 732 228 1111 1929 Inactive Inactive 11094 1KCQ VAL 233 E -8.704 9.524 -13.948 -5.443 6 734 218 1127 1869 Inactive Inactive 11095 1KCQ SER 234 E -8.341 8.139 -14.462 -5.581 6 687 200 1147 1794 Inactive Inactive 11096 1KCQ GLU 235 T -7.388 7.768 -13.635 -5.959 6 720 212 1168 1720 Inactive Inactive 11097 1KCQ GLU 236 T -7.333 7.783 -13.715 -5.989 6 720 224 1187 1636 Inactive Inactive 11098 1KCQ GLY 237 T -6.171 8.447 -10.778 -5.35 3 793 526 1212 1562 Inactive Inactive 11099 1KCQ THR 238 T -6.08 8.758 -10.658 -5.292 3 789 633 1253 1463 Inactive Permissive 11100 1KCQ GLU 239 C -6.086 8.787 -10.614 -5.289 3 859 1265 1268 1365 Inactive Permissive 11101 1KCQ PRO 240 H -6.136 8.932 -10.343 -5.212 3 1022 2259 1289 1263 Selective Permissive 11102 1KCQ GLU 241 H -6.138 8.973 -10.291 -5.192 3 1070 3006 1296 1147 Selective Permissive 11103 1KCQ ALA 242 H -7.125 10.798 -10.275 -4.965 4 1455 4507 1317 1015 Selective Permissive 11104 1KCQ MET 243 H -8.309 12.709 -11.17 -4.885 7 1915 6133 1328 922 Selective Permissive 11105 1KCQ LEU 244 H -7.561 12.786 -9.521 -4.567 4 2422 8097 1314 804 Selective Permissive 11106 1KCQ GLN 245 H -6.668 10.478 -9.038 -4.269 4 2975 10050 1270 688 Selective Permissive 11107 1KCQ VAL 246 H -6.634 10.616 -9.065 -4.308 4 3639 12033 1221 598 Selective Inactive 11108 1KCQ LEU 247 C -6.577 10.721 -9.183 -4.36 4 - - - - - - 11109 1KCQ GLY 248 C -5.33 7.785 -8.924 -4.505 2 - - - - - - 11110 1KCQ PRO 249 C -5.017 9.123 -8.116 -4.481 2 - - - - - - 11111 1KCQ LYS 250 C -5.018 9.164 -8.115 -4.497 2 - - - - - - 11112 1KCQ PRO 251 C -4.935 9.047 -8.154 -4.405 2 - - - - - - 11113 1KCQ ALA 252 C -4.641 8.694 -7.998 -4.297 2 - - - - - - 11114 1KCQ LEU 253 C -4.827 9.204 -7.706 -4.234 2 - - - - - - 11115 1KCQ PRO 254 C -4.816 7.894 -9.088 -4.782 2 - - - - - - 11116 1KCQ ALA 255 C -4.139 6.426 -9.511 -5.321 3 - - - - - - 11117 1KCQ GLY 256 C -3.564 5.757 -8.849 -5.095 2 - - - - - - 11118 1KCQ THR 257 C -3.564 5.757 -8.849 -5.095 2 - - - - - - 11119 1KCQ GLU 258 C -3.564 5.757 -8.849 -5.095 2 - - - - - - 11120 1KCQ ASP 259 C -3.564 5.757 -8.849 -5.095 2 - - - - - - 11121 1KEX PHE 1 T -4.537 1.895 -8.467 -3.072 1 - - - - - - 11122 1KEX LYS 2 T -4.537 1.895 -8.467 -3.072 1 - - - - - - 11123 1KEX CYS 3 T -4.537 1.895 -8.467 -3.072 1 - - - - - - 11124 1KEX MET 4 T -4.537 1.895 -8.467 -3.072 1 - - - - - - 11125 1KEX GLU 5 E -6.967 4.292 -13.349 -4.865 3 - - - - - - 11126 1KEX ALA 6 E -7.699 6.324 -13.789 -5.38 3 - - - - - - 11127 1KEX LEU 7 C -8.756 10.663 -13.145 -5.244 6 - - - - - - 11128 1KEX GLY 8 T -8.007 7.193 -13.221 -5.008 3 - - - - - - 11129 1KEX MET 9 T -7.777 6.845 -13.225 -4.931 3 - - - - - - 11130 1KEX GLU 10 T -7.502 6.39 -12.797 -4.644 3 - - - - - - 11131 1KEX SER 11 T -7.194 6.188 -12.518 -4.522 5 - - - - - - 11132 1KEX GLY 12 T -7.19 6.165 -12.544 -4.522 5 - - - - - - 11133 1KEX GLU 13 T -7.31 6.202 -12.375 -4.415 5 191 67 222 73 Inactive Inactive 11134 1KEX ILE 14 T -7.407 6.187 -12.199 -4.331 5 168 33 173 42 Inactive Inactive 11135 1KEX HIS 15 T -7.65 6.203 -12.336 -4.393 5 163 14 138 21 Inactive Inactive 11136 1KEX SER 16 G -9.041 7.131 -14.478 -4.603 5 171 4 111 7 Inactive Inactive 11137 1KEX ASP 17 G -9.218 7.541 -14.191 -4.469 5 183 7 86 2 Inactive Inactive 11138 1KEX GLN 18 G -9.378 8.091 -13.905 -4.501 5 189 7 64 0 Inactive Inactive 11139 1KEX ILE 19 E -9.336 8.285 -13.682 -4.394 5 192 6 48 0 Inactive Inactive 11140 1KEX THR 20 E -9.76 8.495 -14.221 -4.214 5 200 7 67 3 Inactive Inactive 11141 1KEX ALA 21 E -9.682 8.787 -14.116 -4.294 5 206 8 113 14 Inactive Inactive 11142 1KEX SER 22 C -9.786 8.51 -14.245 -4.292 5 247 10 185 54 Inactive Inactive 11143 1KEX SER 23 C -9.311 7.48 -14.031 -4.209 5 302 12 276 168 Inactive Inactive 11144 1KEX GLN 24 C -7.766 7.061 -11.946 -4.538 5 338 12 395 321 Inactive Inactive 11145 1KEX TYR 25 C -7.738 7.202 -11.962 -4.55 5 343 13 529 527 Inactive Inactive 11146 1KEX SER 26 T -7.742 7.186 -11.951 -4.55 5 362 13 680 793 Inactive Inactive 11147 1KEX THR 27 T -7.742 7.187 -11.948 -4.55 5 347 16 845 1131 Inactive Inactive 11148 1KEX ASN 28 T -7.766 7.208 -11.87 -4.567 5 337 19 1022 1542 Inactive Inactive 11149 1KEX TRP 29 T -9.387 9.539 -12.942 -4.733 5 317 24 1193 2054 Inactive Gatekeeper 11150 1KEX SER 30 T -11.11 9.712 -16.282 -5.388 6 339 60 1374 2682 Inactive Selective 11151 1KEX ALA 31 G -12.311 11.092 -17.247 -5.411 8 328 89 1559 3300 Inactive Selective 11152 1KEX GLU 32 G -13.294 11.795 -18.117 -5.413 8 315 120 1697 3756 Inactive Selective 11153 1KEX ARG 33 G -13.802 10.728 -18.609 -5.131 8 309 265 1803 4070 Inactive Selective 11154 1KEX SER 34 C -13.849 10.443 -18.634 -5.115 8 306 613 1873 4249 Inactive Selective 11155 1KEX ARG 35 B -14.614 12.672 -18.839 -5.265 8 278 916 1880 4325 Inactive Selective 11156 1KEX LEU 36 T -10.341 11.752 -13.928 -5.439 6 233 1291 1854 4272 Inactive Selective 11157 1KEX ASN 37 T -10.179 11.088 -14.654 -5.564 6 206 1829 1807 4176 Inactive Selective 11158 1KEX TYR 38 T -9.413 9.843 -14.08 -5.378 6 253 2203 1738 4035 Gatekeeper Selective 11159 1KEX PRO 39 C -9.396 9.897 -14.102 -5.372 6 355 2772 1643 3813 Gatekeeper Selective 11160 1KEX GLU 40 C -9.392 9.919 -14.111 -5.373 6 546 3009 1538 3503 Gatekeeper Selective 11161 1KEX ASN 41 C -9.523 9.481 -14.163 -5.355 6 817 3443 1444 3154 Gatekeeper Selective 11162 1KEX GLY 42 C -9.413 10.266 -13.553 -5.15 6 1077 3879 1382 2733 Gatekeeper Selective 11163 1KEX TRP 43 B -9.732 12.027 -12.32 -4.444 7 1231 4171 1318 2230 Gatekeeper Selective 11164 1KEX THR 44 C -7.089 7.36 -10.132 -4.067 4 1602 4463 1239 1756 Selective Gatekeeper 11165 1KEX PRO 45 T -6.878 7.166 -10.472 -4.113 2 1877 4631 1189 1413 Selective Inactive 11166 1KEX GLY 46 T -6.875 7.171 -10.491 -4.117 2 2121 4492 1152 1224 Selective Inactive 11167 1KEX GLU 47 T -6.874 7.156 -10.503 -4.116 2 2321 4153 1125 1173 Selective Inactive 11168 1KEX ASP 48 T -6.876 7.142 -10.503 -4.116 2 2435 3850 1153 1175 Selective Inactive 11169 1KEX SER 49 T -7.568 6.776 -11.379 -4.235 3 2539 3481 1183 1255 Selective Inactive 11170 1KEX TYR 50 T -9.532 8.405 -14.455 -4.648 6 2650 2973 1183 1325 Selective Inactive 11171 1KEX ARG 51 T -9.822 8.494 -14.091 -4.346 5 2659 2644 1192 1384 Selective Inactive 11172 1KEX GLU 52 T -10.539 10.087 -14.089 -4.565 6 2555 2132 1211 1508 Selective Inactive 11173 1KEX TRP 53 C -11.794 13.957 -14.615 -5.103 8 2403 1947 1215 1651 Permissive Gatekeeper 11174 1KEX ILE 54 E -12.254 15.444 -14.32 -5.177 8 2144 1522 1191 1707 Permissive Gatekeeper 11175 1KEX GLN 55 E -12.498 12.638 -16.051 -5.024 8 1899 1107 1139 1700 Permissive Gatekeeper 11176 1KEX VAL 56 E -10.278 10.872 -13.521 -4.765 7 1764 899 1058 1634 Permissive Gatekeeper 11177 1KEX ASP 57 E -8.765 10.608 -12.305 -5.108 5 1472 730 992 1544 Permissive Gatekeeper 11178 1KEX LEU 58 E -7.817 11.199 -9.956 -4.443 4 1254 683 954 1505 Inactive Inactive 11179 1KEX GLY 59 E -7.807 11.224 -9.988 -4.443 4 1171 995 913 1460 Inactive Inactive 11180 1KEX LEU 60 E -7.806 11.226 -9.988 -4.442 4 1313 1448 885 1401 Inactive Inactive 11181 1KEX LEU 61 E -7.815 11.232 -9.935 -4.437 4 1426 1801 840 1370 Permissive Inactive 11182 1KEX ARG 62 E -7.937 11.38 -9.418 -4.278 4 1437 2019 819 1324 Permissive Inactive 11183 1KEX PHE 63 E -10.142 12.978 -11.732 -4.363 7 1469 2208 821 1291 Selective Inactive 11184 1KEX VAL 64 E -9.382 12.578 -9.341 -3.25 4 1448 2339 821 1258 Selective Inactive 11185 1KEX THR 65 E -9.189 12.316 -9.827 -3.4 4 1440 2398 825 1186 Selective Inactive 11186 1KEX ALA 66 E -9.185 12.307 -9.863 -3.408 4 1434 2437 852 1119 Selective Inactive 11187 1KEX VAL 67 E -9.176 12.269 -9.962 -3.435 4 1469 2454 884 1124 Selective Inactive 11188 1KEX GLY 68 E -9.17 12.132 -10.097 -3.471 4 1552 2462 904 1180 Selective Inactive 11189 1KEX THR 69 E -9.826 11.35 -11.933 -3.985 7 1515 2342 960 1257 Selective Inactive 11190 1KEX GLN 70 E -10.794 9.599 -16.009 -4.924 6 1567 2205 1012 1339 Selective Inactive 11191 1KEX GLY 71 C -10.347 9.19 -15.445 -4.845 6 1634 2071 1057 1419 Selective Inactive 11192 1KEX ALA 72 E -10.368 9.159 -15.483 -4.851 6 1542 1751 1129 1570 Permissive Gatekeeper 11193 1KEX ILE 73 E -9.938 8.567 -15.126 -4.939 6 1257 1288 1217 1833 Inactive Gatekeeper 11194 1KEX SER 74 T -8.721 5.58 -14.445 -4.799 6 1162 933 1304 2183 Inactive Selective 11195 1KEX LYS 75 T -7.578 4.846 -13.281 -4.747 3 1122 707 1393 2650 Inactive Selective 11196 1KEX GLU 76 T -6.462 6.618 -11.377 -4.974 3 1025 488 1476 3221 Inactive Selective 11197 1KEX THR 77 T -6.397 7.116 -11.271 -4.99 3 992 311 1562 3879 Inactive Selective 11198 1KEX LYS 78 T -6.398 7.116 -11.266 -4.99 3 979 195 1632 4505 Inactive Selective 11199 1KEX LYS 79 C -6.408 7.151 -11.211 -4.993 3 953 101 1719 5132 Inactive Selective 11200 1KEX LYS 80 E -6.483 7.478 -10.959 -5.028 3 911 72 1796 5725 Inactive Selective 11201 1KEX TYR 81 E -7.738 11.432 -10.363 -5.124 4 847 46 1881 6306 Inactive Selective 11202 1KEX TYR 82 E -11.692 17.056 -12.833 -5.156 7 849 53 1962 6990 Inactive Selective 11203 1KEX VAL 83 E -12.488 18.94 -12.536 -4.977 7 757 39 2043 7680 Inactive Selective 11204 1KEX LYS 84 E -13.35 19.358 -14.328 -5.283 8 697 31 2124 8303 Inactive Selective 11205 1KEX THR 85 E -13.448 18.559 -15.056 -5.387 8 666 62 2163 8709 Inactive Selective 11206 1KEX TYR 86 E -13.079 19.26 -14.184 -5.307 8 679 169 2176 8874 Inactive Selective 11207 1KEX LYS 87 E -12.138 16.887 -14.136 -5.41 8 569 210 2194 8794 Inactive Selective 11208 1KEX ILE 88 E -11.921 15.53 -14.289 -5.046 8 592 337 2181 8458 Inactive Selective 11209 1KEX ASP 89 E -11.714 13.698 -15.345 -5.159 8 641 388 2131 7938 Inactive Selective 11210 1KEX VAL 90 E -9.795 8.552 -14.021 -4.656 6 707 421 2050 7275 Inactive Selective 11211 1KEX SER 91 E -8.054 5.737 -13.577 -4.87 3 825 507 1977 6625 Inactive Selective 11212 1KEX SER 92 T -5.388 4.315 -10.615 -4.728 3 988 633 1882 5977 Inactive Selective 11213 1KEX ASN 93 T -5.133 5.286 -10.314 -4.834 3 1183 748 1810 5355 Inactive Selective 11214 1KEX GLY 94 T -5.096 5.362 -10.321 -4.804 3 1286 994 1746 4716 Inactive Selective 11215 1KEX GLU 95 T -5.091 5.398 -10.322 -4.801 3 1381 1210 1683 3976 Permissive Selective 11216 1KEX ASP 96 T -5.094 5.399 -10.302 -4.801 3 1477 1545 1632 3220 Permissive Selective 11217 1KEX TRP 97 E -5.634 7.162 -9.873 -4.921 3 1698 2229 1577 2526 Selective Selective 11218 1KEX ILE 98 E -5.876 12.244 -9.425 -6.193 4 1825 2532 1563 1985 Selective Selective 11219 1KEX THR 99 E -5.654 14.456 -8.892 -6.733 4 1836 2614 1550 1550 Selective Selective 11220 1KEX ILE 100 C -4.368 9.027 -6.255 -4.211 2 1918 2796 1521 1255 Selective Permissive 11221 1KEX LYS 101 E -1.538 5.006 -4.346 -4.037 1 2003 2914 1497 1092 Selective Permissive 11222 1KEX GLU 102 E -1.033 5.441 -4.577 -4.335 1 2103 3206 1518 1013 Selective Permissive 11223 1KEX GLY 103 T -1.025 5.463 -4.61 -4.338 1 2239 3905 1564 986 Selective Permissive 11224 1KEX ASN 104 T -1.025 5.465 -4.612 -4.338 1 2254 4322 1600 960 Selective Permissive 11225 1KEX LYS 105 E -1.028 5.446 -4.601 -4.335 1 2282 4765 1618 923 Selective Permissive 11226 1KEX PRO 106 E -1.437 5.048 -4.151 -3.948 1 2296 5368 1607 851 Selective Permissive 11227 1KEX VAL 107 C -3.765 6.031 -6.023 -3.47 1 2405 5569 1594 787 Selective Permissive 11228 1KEX LEU 108 C -5.36 10.057 -7.113 -4.254 4 2541 5843 1573 724 Selective Permissive 11229 1KEX PHE 109 E -8.092 15.441 -10.434 -5.639 7 2634 6142 1539 672 Selective Permissive 11230 1KEX GLN 110 E -8.533 14.107 -11.438 -5.53 7 2776 6233 1463 602 Selective Permissive 11231 1KEX GLY 111 C -8.663 11.555 -12.223 -5.057 5 3179 6897 1363 511 Selective Permissive 11232 1KEX ASN 112 C -9.028 7.946 -14.003 -4.667 5 3410 7690 1286 451 Selective Inactive 11233 1KEX THR 113 C -6.863 6.32 -10.091 -3.782 2 3520 8309 1245 409 Selective Inactive 11234 1KEX ASN 114 T -6.738 6.582 -10.143 -3.785 2 3644 9430 1211 369 Selective Inactive 11235 1KEX PRO 115 T -6.733 6.6 -10.149 -3.779 2 3841 10423 1184 333 Selective Inactive 11236 1KEX THR 116 T -6.618 6.742 -10.145 -3.737 2 3992 10738 1175 311 Selective Inactive 11237 1KEX ASP 117 T -6.613 6.748 -10.148 -3.727 2 4266 11307 1190 313 Selective Inactive 11238 1KEX VAL 118 C -6.614 7.863 -8.389 -2.816 2 4498 11842 1225 314 Selective Inactive 11239 1KEX VAL 119 E -6.707 7.953 -8.03 -2.636 2 4650 12213 1284 371 Selective Inactive 11240 1KEX VAL 120 E -6.704 8.05 -7.982 -2.63 2 4740 12750 1345 450 Selective Permissive 11241 1KEX ALA 121 E -6.812 8.559 -7.454 -2.484 1 4687 13061 1418 586 Selective Permissive 11242 1KEX VAL 122 E -5.791 12.015 -6.243 -3.707 4 4691 13266 1478 744 Selective Permissive 11243 1KEX PHE 123 E -5.87 12.782 -6.087 -3.937 4 4366 13019 1561 919 Selective Permissive 11244 1KEX PRO 124 E -5.227 11.155 -5.29 -3.231 1 4049 12906 1637 1118 Selective Permissive 11245 1KEX LYS 125 E -5.069 10.978 -5.447 -3.244 1 3870 12370 1672 1298 Selective Permissive 11246 1KEX PRO 126 E -5.07 10.971 -5.439 -3.241 1 3851 12059 1670 1464 Selective Permissive 11247 1KEX LEU 127 E -5.236 10.395 -5.256 -3.005 1 3619 10996 1666 1615 Selective Selective 11248 1KEX ILE 128 E -5.244 10.36 -5.234 -3.003 1 3236 9827 1639 1734 Selective Selective 11249 1KEX THR 129 E -5.924 10.429 -5.978 -3.286 1 2877 8864 1585 1841 Selective Selective 11250 1KEX ARG 130 E -9.288 14.472 -9.259 -3.957 4 2499 8029 1504 1929 Selective Selective 11251 1KEX PHE 131 E -12.19 17.734 -12.011 -4.125 7 2092 7124 1420 2022 Selective Selective 11252 1KEX VAL 132 E -12.386 18.237 -11.849 -4.075 7 1725 6069 1322 2058 Selective Selective 11253 1KEX ARG 133 E -12.374 17.61 -12.623 -4.436 7 1380 5087 1218 2084 Selective Gatekeeper 11254 1KEX ILE 134 E -10.454 14.7 -10.599 -3.991 7 1185 4297 1113 2068 Gatekeeper Gatekeeper 11255 1KEX LYS 135 E -10.151 14.926 -10.693 -4.107 7 977 3531 1022 2049 Gatekeeper Gatekeeper 11256 1KEX PRO 136 E -9.82 14.549 -10.917 -4.188 7 902 3062 967 2044 Gatekeeper Gatekeeper 11257 1KEX ALA 137 E -8.094 12.2 -9.924 -4.595 4 657 2179 901 2075 Gatekeeper Gatekeeper 11258 1KEX THR 138 E -7.539 11.052 -10.055 -4.58 4 529 1765 871 2131 Inactive Gatekeeper 11259 1KEX TRP 139 E -7.329 11.635 -9.638 -4.517 4 321 1259 854 2184 Inactive Gatekeeper 11260 1KEX GLU 140 E -7.157 11.304 -9.749 -4.493 4 270 1014 851 2241 Inactive Gatekeeper 11261 1KEX THR 141 T -7.149 11.341 -9.767 -4.504 4 300 910 882 2325 Inactive Gatekeeper 11262 1KEX GLY 142 T -7.275 11.169 -9.743 -4.477 4 303 863 925 2437 Inactive Gatekeeper 11263 1KEX ILE 143 C -7.567 11.715 -9.49 -4.417 4 - - - - - - 11264 1KEX SER 144 C -7.926 10.622 -10.154 -4.463 4 - - - - - - 11265 1KEX MET 145 B -9.528 14.125 -11.123 -5.047 7 - - - - - - 11266 1KEX ARG 146 E -14.105 14.741 -17.395 -5.452 8 - - - - - - 11267 1KEX PHE 147 E -13.644 19.203 -13.784 -4.992 8 - - - - - - 11268 1KEX GLU 148 E -13.626 19.198 -13.963 -5.088 8 - - - - - - 11269 1KEX VAL 149 E -12.147 16.466 -14.31 -5.824 8 - - - - - - 11270 1KEX TYR 150 E -10.028 12.731 -12.766 -5.323 7 - - - - - - 11271 1KEX GLY 151 E -5.725 7.231 -9.095 -4.453 2 - - - - - - 11272 1KEX CYS 152 E -4.675 6.536 -7.444 -3.657 2 - - - - - - 11273 1KEX LYS 153 C -4.675 6.536 -7.444 -3.657 2 - - - - - - 11274 1KEX ILE 154 C -4.675 6.536 -7.444 -3.657 2 - - - - - - 11275 1KEX THR 155 C -4.675 6.536 -7.444 -3.657 2 - - - - - - 11276 1KMV VAL 1 C -8.333 8.009 -11.299 -3.68 5 - - - - - - 11277 1KMV GLY 2 C -8.333 8.009 -11.299 -3.68 5 - - - - - - 11278 1KMV SER 3 C -8.333 8.009 -11.299 -3.68 5 - - - - - - 11279 1KMV LEU 4 E -8.333 8.009 -11.299 -3.68 5 - - - - - - 11280 1KMV ASN 5 E -10.929 10.266 -15.41 -5.003 6 - - - - - - 11281 1KMV CYS 6 E -10.792 14.813 -11.607 -4.083 7 - - - - - - 11282 1KMV ILE 7 E -10.529 14.877 -11.577 -4.048 7 - - - - - - 11283 1KMV VAL 8 E -10.498 14.766 -11.739 -4.067 7 - - - - - - 11284 1KMV ALA 9 E -10.495 14.744 -11.776 -4.072 7 - - - - - - 11285 1KMV VAL 10 E -10.524 14.788 -11.637 -4.037 7 - - - - - - 11286 1KMV SER 11 T -10.949 13.826 -13.039 -4.349 7 - - - - - - 11287 1KMV GLN 12 T -11.453 10.777 -17.018 -5.441 8 - - - - - - 11288 1KMV ASN 13 T -10.508 10.648 -15.435 -5.502 6 1382 3804 1451 3001 Selective Selective 11289 1KMV MET 14 T -10.351 10.968 -15.372 -5.509 6 1554 5549 1452 2949 Selective Selective 11290 1KMV GLY 15 E -7.604 8.577 -11.691 -4.945 3 1789 7582 1432 2871 Selective Selective 11291 1KMV ILE 16 E -6.838 8.021 -11.51 -5.021 3 1873 9180 1437 2737 Selective Selective 11292 1KMV GLY 17 E -6.458 6.199 -12.489 -5.177 3 2034 10727 1412 2519 Selective Selective 11293 1KMV LYS 18 B -6.2 6.4 -12.241 -5.156 3 2086 11771 1404 2232 Selective Selective 11294 1KMV ASN 19 T -6.167 6.474 -12.23 -5.128 3 2117 12961 1376 1951 Selective Selective 11295 1KMV GLY 20 T -6.221 6.28 -12.285 -5.146 3 2034 13957 1338 1688 Selective Selective 11296 1KMV ASP 21 B -6.396 5.762 -12.573 -5.178 3 2052 14928 1283 1470 Selective Inactive 11297 1KMV LEU 22 T -6.707 7.228 -11.702 -5.015 3 2236 16531 1214 1289 Selective Inactive 11298 1KMV PRO 23 T -7.752 9.763 -11.167 -4.5 5 2512 18131 1184 1184 Selective Inactive 11299 1KMV TRP 24 T -8.555 16.443 -8.314 -4.025 4 2686 18677 1166 1258 Selective Inactive 11300 1KMV PRO 25 T -8.469 15.731 -8.756 -4.062 4 3213 19260 1164 1483 Selective Inactive 11301 1KMV PRO 26 C -8.484 15.733 -8.711 -4.06 4 3642 18581 1204 1817 Selective Gatekeeper 11302 1KMV LEU 27 C -9.038 14.76 -10.223 -4.272 4 4205 17143 1238 2118 Selective Gatekeeper 11303 1KMV ARG 28 H -9.211 13.496 -10.931 -4.309 7 4758 15398 1306 2477 Selective Gatekeeper 11304 1KMV ASN 29 H -9.48 11.755 -11.906 -4.415 5 5386 14042 1353 2803 Selective Selective 11305 1KMV GLU 30 H -11.184 11.72 -15.113 -4.819 7 6027 12767 1420 3194 Selective Selective 11306 1KMV PHE 31 H -11.465 11.077 -15.167 -4.63 7 6693 11936 1469 3521 Selective Selective 11307 1KMV ARG 32 H -11.537 10.652 -15.096 -4.54 6 7140 10709 1531 3813 Selective Selective 11308 1KMV TYR 33 H -15.807 17.253 -19.171 -5.77 8 7400 9613 1581 4052 Selective Selective 11309 1KMV PHE 34 H -15.848 15.392 -20.333 -5.852 8 7350 8399 1620 4139 Selective Selective 11310 1KMV GLN 35 H -14.751 11.686 -20.61 -5.769 8 7005 6459 1646 4131 Selective Selective 11311 1KMV ARG 36 H -12.867 10.54 -18.003 -5.297 8 6663 4641 1632 4042 Selective Selective 11312 1KMV MET 37 H -12.058 10.991 -17.572 -5.665 8 6309 3375 1630 3846 Selective Selective 11313 1KMV THR 38 H -9.778 7.265 -15.21 -4.933 6 5686 2101 1608 3526 Selective Selective 11314 1KMV THR 39 H -8.738 6.244 -14.227 -4.581 5 5248 1635 1597 3174 Selective Selective 11315 1KMV THR 40 C -7.048 4.741 -12.227 -4.239 3 4576 1326 1591 2904 Selective Selective 11316 1KMV SER 41 C -4.843 3.963 -9.862 -4.365 2 3765 1037 1595 2580 Selective Selective 11317 1KMV SER 42 C -4.342 4.245 -9.623 -4.432 2 3048 785 1566 2309 Permissive Selective 11318 1KMV VAL 43 T -4.337 4.259 -9.649 -4.438 2 2286 501 1510 2038 Permissive Selective 11319 1KMV GLU 44 T -4.337 4.259 -9.647 -4.438 2 1635 234 1471 1835 Permissive Selective 11320 1KMV GLY 45 T -4.343 4.255 -9.623 -4.44 2 1132 225 1404 1682 Permissive Selective 11321 1KMV LYS 46 T -4.666 4.478 -9.487 -4.489 2 797 170 1344 1610 Permissive Permissive 11322 1KMV GLN 47 E -7.176 6.031 -12.766 -5.198 3 666 167 1297 1611 Permissive Inactive 11323 1KMV ASN 48 E -10.838 8.403 -17.387 -5.928 6 634 170 1264 1681 Permissive Inactive 11324 1KMV LEU 49 E -10.983 16.845 -11.566 -4.683 7 616 263 1271 1806 Permissive Gatekeeper 11325 1KMV VAL 50 E -10.688 16.567 -11.83 -4.813 7 615 276 1290 1962 Permissive Gatekeeper 11326 1KMV ILE 51 E -9.685 13.868 -12.173 -5.071 7 589 258 1329 2134 Permissive Gatekeeper 11327 1KMV MET 52 E -9.18 12.388 -12.826 -5.286 7 546 276 1369 2303 Inactive Selective 11328 1KMV GLY 53 E -9.068 12.649 -12.825 -5.332 7 508 348 1385 2351 Inactive Selective 11329 1KMV LYS 54 H -9.081 12.539 -12.898 -5.363 7 503 478 1383 2343 Inactive Selective 11330 1KMV LYS 55 H -9.097 12.449 -12.912 -5.371 7 485 642 1380 2295 Inactive Selective 11331 1KMV THR 56 H -9.309 12.114 -13.201 -5.475 6 455 826 1382 2185 Inactive Selective 11332 1KMV TRP 57 H -10.04 14.178 -12.938 -5.545 7 405 1304 1359 2060 Gatekeeper Selective 11333 1KMV PHE 58 H -9.937 11.392 -13.204 -4.747 7 386 1455 1347 1898 Gatekeeper Selective 11334 1KMV SER 59 H -8.711 7.131 -13.513 -4.475 5 367 1559 1336 1728 Gatekeeper Selective 11335 1KMV ILE 60 C -6.68 5.919 -11.27 -4.401 3 352 1703 1345 1690 Gatekeeper Selective 11336 1KMV PRO 61 C -6.579 6.038 -11.438 -4.438 3 335 1791 1374 1676 Gatekeeper Permissive 11337 1KMV GLU 62 G -6.567 6.097 -11.468 -4.444 3 301 1730 1389 1672 Gatekeeper Permissive 11338 1KMV LYS 63 G -6.568 6.083 -11.464 -4.444 3 291 1761 1377 1655 Gatekeeper Permissive 11339 1KMV ASN 64 G -6.583 6.071 -11.413 -4.444 3 280 1775 1380 1649 Gatekeeper Permissive 11340 1KMV ARG 65 T -7.599 6.97 -12.42 -4.653 5 225 1749 1373 1631 Gatekeeper Permissive 11341 1KMV PRO 66 T -8.772 9.174 -12.977 -4.775 5 202 1685 1389 1722 Gatekeeper Selective 11342 1KMV LEU 67 T -9.915 12.091 -13.971 -5.132 6 179 1537 1391 1904 Gatekeeper Selective 11343 1KMV LYS 68 T -9.918 12.077 -13.991 -5.147 6 171 1362 1426 2075 Gatekeeper Selective 11344 1KMV GLY 69 T -9.951 12.023 -13.952 -5.151 6 160 1172 1463 2233 Gatekeeper Selective 11345 1KMV ARG 70 T -10.073 11.979 -13.803 -5.131 6 107 692 1493 2372 Inactive Selective 11346 1KMV ILE 71 E -10.784 13.213 -14.238 -5.353 8 151 679 1521 2499 Inactive Selective 11347 1KMV ASN 72 E -11.873 14.517 -15.21 -5.343 8 170 649 1556 2533 Inactive Selective 11348 1KMV LEU 73 E -12.375 17.547 -13.131 -4.665 7 293 808 1580 2420 Inactive Selective 11349 1KMV VAL 74 E -12.385 17.464 -13.092 -4.62 7 400 1052 1563 2278 Gatekeeper Selective 11350 1KMV LEU 75 E -12.323 16.613 -13.735 -4.679 7 448 1217 1527 2104 Gatekeeper Selective 11351 1KMV SER 76 T -11.074 5.887 -17.811 -5.03 6 512 1449 1487 1925 Gatekeeper Selective 11352 1KMV ARG 77 T -8.997 4.95 -15.183 -4.724 6 631 1770 1453 1740 Selective Selective 11353 1KMV GLU 78 T -6.404 7.433 -9.901 -4.282 4 706 2023 1433 1575 Selective Permissive 11354 1KMV LEU 79 T -5.807 9.047 -8.117 -3.795 2 793 2415 1378 1375 Selective Permissive 11355 1KMV LYS 80 C -5.288 8.248 -7.81 -3.582 2 956 2821 1308 1131 Selective Inactive 11356 1KMV GLU 81 C -4.832 8.144 -7.498 -3.649 2 1085 3256 1226 906 Selective Inactive 11357 1KMV PRO 82 C -4.607 8.528 -7.129 -3.589 2 1265 3702 1149 705 Selective Inactive 11358 1KMV PRO 83 T -4.583 8.674 -7.045 -3.577 2 1343 3756 1088 509 Selective Inactive 11359 1KMV GLN 84 T -4.631 8.569 -7.051 -3.584 2 1336 3617 1045 343 Selective Inactive 11360 1KMV GLY 85 T -4.757 8.782 -6.922 -3.621 2 1369 3542 987 258 Selective Inactive 11361 1KMV ALA 86 T -5.137 9.436 -6.645 -3.544 2 1322 3238 942 232 Selective Inactive 11362 1KMV HIS 87 C -6.018 9.741 -7.689 -3.834 4 1305 2898 914 211 Selective Inactive 11363 1KMV PHE 88 E -7.932 11.433 -9.956 -4.326 4 1319 2692 911 203 Selective Inactive 11364 1KMV LEU 89 E -9.639 15.983 -10.336 -4.641 7 1258 2413 923 192 Selective Inactive 11365 1KMV SER 90 E -11.006 13.503 -14.166 -4.773 7 1150 2069 886 173 Selective Inactive 11366 1KMV ARG 91 C -8.83 10.906 -11.788 -4.717 5 1068 1791 799 142 Selective Inactive 11367 1KMV SER 92 C -8.508 11.133 -11.772 -4.749 5 950 1370 737 125 Selective Inactive 11368 1KMV LEU 93 H -8.453 11.369 -11.79 -4.777 5 784 963 695 117 Permissive Inactive 11369 1KMV ASP 94 H -8.443 11.318 -11.861 -4.784 5 644 530 656 113 Permissive Inactive 11370 1KMV ASP 95 H -8.446 11.318 -11.845 -4.784 5 456 84 637 118 Inactive Inactive 11371 1KMV ALA 96 H -8.872 11.791 -11.97 -4.857 5 366 29 616 137 Inactive Inactive 11372 1KMV LEU 97 H -9.76 12.947 -12.743 -5.077 7 318 18 599 164 Inactive Inactive 11373 1KMV LYS 98 H -10.659 9.478 -15.916 -5.129 6 261 11 596 186 Inactive Inactive 11374 1KMV LEU 99 H -10.805 10.388 -15.614 -5.022 6 184 9 578 248 Inactive Inactive 11375 1KMV THR 100 H -9.185 8.703 -14.06 -5.127 6 93 12 567 302 Inactive Inactive 11376 1KMV GLU 101 H -8.57 9.648 -13.02 -5.047 5 33 25 554 365 Inactive Inactive 11377 1KMV GLN 102 T -8.127 10.307 -11.986 -4.779 5 42 46 558 463 Inactive Inactive 11378 1KMV PRO 103 T -7.194 10.166 -10.097 -4.38 4 114 149 575 574 Inactive Inactive 11379 1KMV GLU 104 T -7.125 10.305 -10.184 -4.42 4 135 154 605 666 Inactive Inactive 11380 1KMV LEU 105 T -7.093 10.56 -10.05 -4.39 4 212 218 631 732 Inactive Inactive 11381 1KMV ALA 106 T -7.121 10.583 -9.935 -4.358 4 314 307 660 787 Inactive Inactive 11382 1KMV ASN 107 T -7.181 10.55 -9.817 -4.339 4 419 451 692 823 Inactive Inactive 11383 1KMV LYS 108 T -8.07 12.016 -10.551 -4.558 4 497 549 708 838 Inactive Inactive 11384 1KMV VAL 109 E -8.536 12.724 -10.066 -4.323 4 525 721 733 861 Inactive Inactive 11385 1KMV ASP 110 E -10.103 10.966 -13.482 -4.726 7 552 823 786 906 Permissive Inactive 11386 1KMV MET 111 E -11.953 12.548 -16.079 -5.384 8 600 970 824 974 Permissive Inactive 11387 1KMV VAL 112 E -10.771 18.479 -9.844 -4.377 7 628 1145 853 958 Selective Inactive 11388 1KMV TRP 113 E -9.972 16.522 -10.62 -4.692 7 650 1242 885 944 Selective Inactive 11389 1KMV ILE 114 E -9.109 12.68 -11.571 -4.664 7 675 1257 935 916 Selective Inactive 11390 1KMV VAL 115 C -8.635 10.437 -12.342 -4.631 5 687 1245 958 856 Selective Inactive 11391 1KMV GLY 116 C -8.306 9.446 -12.597 -4.598 5 653 1187 995 795 Selective Inactive 11392 1KMV GLY 117 C -8.312 9.327 -12.648 -4.603 5 674 1226 1051 797 Selective Inactive 11393 1KMV SER 118 H -8.339 9.022 -12.731 -4.593 5 607 1163 1132 884 Selective Inactive 11394 1KMV SER 119 H -8.478 8.365 -12.961 -4.577 5 510 1079 1200 979 Gatekeeper Inactive 11395 1KMV VAL 120 H -8.804 8.185 -12.955 -4.557 5 408 935 1261 1137 Inactive Inactive 11396 1KMV TYR 121 H -11.357 13.535 -13.881 -4.769 7 338 844 1331 1434 Inactive Inactive 11397 1KMV LYS 122 H -12.133 10.986 -16.933 -5.05 8 326 694 1400 1793 Inactive Selective 11398 1KMV GLU 123 H -12.116 10.457 -17.398 -5.2 8 324 640 1438 2120 Inactive Selective 11399 1KMV ALA 124 H -10.288 9.84 -14.201 -4.645 6 324 522 1480 2409 Inactive Selective 11400 1KMV MET 125 H -8.818 7.132 -14.172 -4.921 6 318 393 1543 2845 Inactive Selective 11401 1KMV ASN 126 H -7.36 6.671 -12.576 -4.944 3 368 405 1625 3400 Inactive Selective 11402 1KMV HIS 127 C -7.318 6.865 -12.592 -4.943 3 403 424 1685 4095 Inactive Selective 11403 1KMV PRO 128 C -7.315 6.882 -12.601 -4.946 3 522 554 1765 4879 Inactive Selective 11404 1KMV GLY 129 C -7.319 6.865 -12.592 -4.948 3 532 521 1833 5751 Inactive Selective 11405 1KMV HIS 130 C -7.364 6.863 -12.468 -4.948 3 612 484 1887 6692 Permissive Selective 11406 1KMV LEU 131 E -8.865 9.601 -12.943 -4.968 5 713 494 1930 7536 Permissive Selective 11407 1KMV LYS 132 E -10.517 11.207 -14.908 -5.514 6 762 491 1989 8502 Permissive Selective 11408 1KMV LEU 133 E -12.273 15.389 -15.442 -5.784 8 887 504 2062 9426 Permissive Selective 11409 1KMV PHE 134 E -13.622 20.841 -14.461 -5.411 8 927 497 2118 10132 Permissive Selective 11410 1KMV VAL 135 E -13.399 19.97 -14.765 -5.441 8 924 472 2156 10683 Permissive Selective 11411 1KMV THR 136 E -13.437 19.591 -15.027 -5.499 8 956 469 2206 11048 Permissive Selective 11412 1KMV ARG 137 E -13.35 16.647 -16.921 -5.892 8 951 491 2238 11274 Permissive Selective 11413 1KMV ILE 138 E -11.835 16.261 -14.669 -6.006 8 943 478 2248 11234 Permissive Selective 11414 1KMV MET 139 C -11.565 14.55 -15.7 -6.074 8 904 409 2202 10971 Permissive Selective 11415 1KMV GLN 140 C -11.26 12.949 -16.279 -6.003 8 849 399 2157 10458 Permissive Selective 11416 1KMV ASP 141 C -10.793 11.457 -16.395 -5.909 8 707 270 2071 9770 Permissive Selective 11417 1KMV PHE 142 C -10.654 11.39 -16.342 -5.836 8 651 275 1977 8924 Permissive Selective 11418 1KMV GLU 143 C -10.127 9.531 -15.983 -5.534 6 552 268 1884 7930 Permissive Selective 11419 1KMV SER 144 C -10.099 9.917 -15.777 -5.51 6 453 258 1782 6965 Inactive Selective 11420 1KMV ASP 145 C -10.095 10.308 -15.528 -5.471 6 399 256 1668 5864 Inactive Selective 11421 1KMV THR 146 E -10.039 12.079 -14.391 -5.34 6 276 243 1544 4749 Inactive Selective 11422 1KMV PHE 147 E -9.733 15.222 -12.1 -5.134 7 257 256 1432 3727 Inactive Selective 11423 1KMV PHE 148 C -8.211 16.439 -8.401 -4.891 4 251 275 1322 2775 Inactive Gatekeeper 11424 1KMV PRO 149 C -6.489 11.946 -7.867 -4.378 4 199 242 1205 2012 Inactive Gatekeeper 11425 1KMV GLU 150 C -4.592 8.806 -6.958 -4.31 2 156 190 1110 1408 Inactive Inactive 11426 1KMV ILE 151 C -4.348 8.806 -7.184 -4.384 2 148 164 1030 966 Inactive Inactive 11427 1KMV ASP 152 T -4.332 8.85 -7.245 -4.403 2 124 184 1003 646 Inactive Inactive 11428 1KMV LEU 153 T -4.332 8.841 -7.244 -4.403 2 124 257 972 439 Inactive Inactive 11429 1KMV GLU 154 T -4.347 8.768 -7.229 -4.404 2 134 375 957 315 Inactive Inactive 11430 1KMV LYS 155 T -4.945 8.926 -7.763 -4.569 2 136 490 945 251 Inactive Inactive 11431 1KMV TYR 156 T -6.449 10.402 -9.374 -5.059 4 128 723 937 225 Inactive Inactive 11432 1KMV LYS 157 E -7.896 8.455 -11.539 -4.331 5 120 909 916 203 Inactive Inactive 11433 1KMV LEU 158 E -7.77 9.465 -11.111 -4.358 5 129 1095 896 188 Gatekeeper Inactive 11434 1KMV LEU 159 E -7.301 9.869 -10.48 -4.314 4 127 1218 874 187 Gatekeeper Inactive 11435 1KMV PRO 160 T -6.33 7.815 -10.266 -4.436 3 104 1328 844 179 Gatekeeper Inactive 11436 1KMV GLU 161 T -6.273 7.978 -10.314 -4.454 3 104 1330 820 175 Gatekeeper Inactive 11437 1KMV TYR 162 B -6.275 8.071 -10.277 -4.465 3 146 1441 777 170 Gatekeeper Inactive 11438 1KMV PRO 163 T -6.264 7.924 -10.35 -4.443 3 212 1615 725 156 Gatekeeper Inactive 11439 1KMV GLY 164 T -6.316 7.661 -10.433 -4.459 3 231 1615 669 142 Gatekeeper Inactive 11440 1KMV VAL 165 B -6.903 8.634 -10.896 -4.27 4 257 1553 608 117 Gatekeeper Inactive 11441 1KMV LEU 166 C -7.031 8.215 -11.103 -4.183 5 259 1443 564 103 Gatekeeper Inactive 11442 1KMV SER 167 C -7.114 7.981 -11.298 -4.215 5 290 1333 542 105 Gatekeeper Inactive 11443 1KMV ASP 168 C -7.214 8.211 -11.157 -4.265 5 308 1214 553 156 Gatekeeper Inactive 11444 1KMV VAL 169 C -7.25 8.337 -10.992 -4.258 4 312 986 586 284 Inactive Inactive 11445 1KMV GLN 170 E -8.1 8.635 -12.879 -4.948 5 394 879 634 479 Inactive Inactive 11446 1KMV GLU 171 E -7.815 9.82 -12.596 -5.583 5 445 728 706 809 Inactive Inactive 11447 1KMV GLU 172 E -7.958 9.817 -12.676 -5.688 5 481 623 792 1304 Inactive Inactive 11448 1KMV LYS 173 T -7.96 9.833 -12.657 -5.687 5 - - - - - - 11449 1KMV GLY 174 T -7.961 9.832 -12.648 -5.686 5 - - - - - - 11450 1KMV ILE 175 E -7.967 9.844 -12.6 -5.679 5 - - - - - - 11451 1KMV LYS 176 E -9.54 10.868 -14.319 -5.848 6 - - - - - - 11452 1KMV TYR 177 E -11.055 14.738 -14.29 -5.883 8 - - - - - - 11453 1KMV LYS 178 E -12.536 16.473 -15.666 -6.137 8 - - - - - - 11454 1KMV PHE 179 E -13.966 22.065 -15.149 -6.256 8 - - - - - - 11455 1KMV GLU 180 E -14.233 21.777 -15.328 -6.272 8 - - - - - - 11456 1KMV VAL 181 E -13.264 18.104 -15.972 -6.267 8 - - - - - - 11457 1KMV TYR 182 E -11.167 14.017 -14.38 -5.66 8 - - - - - - 11458 1KMV GLU 183 E -11.167 14.017 -14.38 -5.66 8 - - - - - - 11459 1KMV LYS 184 E -11.167 14.017 -14.38 -5.66 8 - - - - - - 11460 1KMV ASN 185 C -11.167 14.017 -14.38 -5.66 8 - - - - - - 11461 1KPF ASP 16 C -8.809 8.461 -9.942 -2.479 4 - - - - - - 11462 1KPF THR 17 C -8.809 8.461 -9.942 -2.479 4 - - - - - - 11463 1KPF ILE 18 H -8.809 8.461 -9.942 -2.479 4 - - - - - - 11464 1KPF PHE 19 H -8.809 8.461 -9.942 -2.479 4 - - - - - - 11465 1KPF GLY 20 H -9.197 10.342 -12.655 -4.761 5 - - - - - - 11466 1KPF LYS 21 H -8.727 10.854 -12.499 -5.459 6 - - - - - - 11467 1KPF ILE 22 H -6.606 9.75 -7.96 -3.552 4 - - - - - - 11468 1KPF ILE 23 H -5.691 9.369 -7.654 -3.849 2 - - - - - - 11469 1KPF ARG 24 H -4.927 4.965 -6.897 -2.464 1 - - - - - - 11470 1KPF LYS 25 T -3.534 4.502 -4.185 -1.907 1 - - - - - - 11471 1KPF GLU 26 T -2.92 4.584 -3.603 -1.852 1 - - - - - - 11472 1KPF ILE 27 T -2.516 5.44 -3.087 -1.889 1 - - - - - - 11473 1KPF PRO 28 T -2.325 6.275 -3.18 -2.24 1 1156 1158 1531 489 Inactive Selective 11474 1KPF ALA 29 C -2.33 6.303 -3.148 -2.242 1 1289 1183 1521 467 Gatekeeper Permissive 11475 1KPF LYS 30 C -2.407 6.532 -3.031 -2.286 1 1415 1174 1481 440 Inactive Permissive 11476 1KPF ILE 31 E -2.599 7.202 -2.915 -2.445 1 1547 1167 1424 410 Permissive Permissive 11477 1KPF ILE 32 E -3.097 8.328 -3.388 -3.113 1 1634 1167 1353 369 Permissive Permissive 11478 1KPF PHE 33 E -6.545 9.652 -6.245 -2.309 1 1633 1136 1293 330 Permissive Permissive 11479 1KPF GLU 34 E -7.177 10.237 -7.603 -3.083 4 1620 1041 1219 265 Permissive Inactive 11480 1KPF ASP 35 E -8.95 7.96 -13.189 -4.033 5 1538 937 1135 216 Permissive Inactive 11481 1KPF ASP 36 T -9.077 7.391 -13.643 -4.129 5 1538 914 1087 194 Permissive Inactive 11482 1KPF ARG 37 T -9.328 6.731 -13.863 -4.062 5 1583 1227 1062 187 Selective Inactive 11483 1KPF CYS 38 E -9.494 6.035 -13.507 -3.673 5 1617 1548 1053 206 Selective Inactive 11484 1KPF LEU 39 E -10.509 9.221 -12.741 -3.254 5 1601 1624 1069 219 Selective Inactive 11485 1KPF ALA 40 E -9.899 10.013 -10.224 -2.413 4 1526 1686 1132 268 Gatekeeper Inactive 11486 1KPF PHE 41 E -8.875 8.575 -9.63 -2.379 4 1528 1910 1203 337 Selective Inactive 11487 1KPF HIS 42 E -6.096 3.728 -8.732 -2.486 1 1525 2183 1291 429 Gatekeeper Permissive 11488 1KPF ASP 43 T -5.477 3.312 -9.638 -3.2 1 1662 2727 1397 542 Selective Selective 11489 1KPF ILE 44 T -5.398 3.111 -9.535 -2.986 1 1842 3752 1499 666 Selective Selective 11490 1KPF SER 45 T -5.388 3.121 -9.534 -2.964 1 2085 4590 1585 820 Selective Selective 11491 1KPF PRO 46 T -5.378 3.162 -9.523 -2.952 1 2318 5419 1651 989 Selective Selective 11492 1KPF GLN 47 T -5.585 2.947 -9.859 -3.147 1 2309 5551 1681 1158 Selective Selective 11493 1KPF ALA 48 T -6.473 2.482 -8.919 -1.612 1 2428 5828 1684 1332 Selective Selective 11494 1KPF PRO 49 T -7.335 5.052 -9.269 -2.031 1 2483 5939 1641 1451 Selective Selective 11495 1KPF THR 50 E -7.738 6.23 -9.024 -2.262 2 2443 5611 1581 1527 Selective Selective 11496 1KPF HIS 51 E -9.787 11.358 -11.876 -3.852 5 2409 5294 1524 1585 Selective Selective 11497 1KPF PHE 52 E -10.359 15.314 -10.716 -4.301 7 2326 5056 1466 1649 Selective Selective 11498 1KPF LEU 53 E -11.637 17.451 -10.814 -3.62 7 2243 4786 1373 1696 Selective Selective 11499 1KPF VAL 54 E -11.646 17.103 -10.972 -3.592 7 2121 4427 1293 1739 Selective Selective 11500 1KPF ILE 55 E -10.959 13.618 -11.298 -3.337 7 1985 4118 1239 1741 Selective Gatekeeper 11501 1KPF PRO 56 E -10.486 12.241 -11.353 -3.221 7 1692 3544 1205 1715 Selective Gatekeeper 11502 1KPF LYS 57 C -10.142 11.121 -12.174 -3.55 7 1365 2478 1170 1652 Gatekeeper Gatekeeper 11503 1KPF LYS 58 C -10.067 10.969 -12.586 -3.783 7 1043 1615 1143 1543 Gatekeeper Gatekeeper 11504 1KPF HIS 59 C -10.039 11.026 -12.541 -3.753 7 794 776 1118 1402 Inactive Gatekeeper 11505 1KPF ILE 60 C -10.122 10.87 -12.739 -3.833 7 723 602 1101 1245 Inactive Gatekeeper 11506 1KPF SER 61 C -9.844 8.479 -12.85 -3.383 5 594 293 1087 1071 Inactive Gatekeeper 11507 1KPF GLN 62 C -8.288 8.154 -10.373 -3.276 5 556 158 1123 958 Inactive Gatekeeper 11508 1KPF ILE 63 G -6.279 7.815 -8.793 -3.852 2 507 135 1176 880 Inactive Gatekeeper 11509 1KPF SER 64 G -6.109 6.623 -9.017 -3.493 2 432 73 1210 796 Inactive Gatekeeper 11510 1KPF VAL 65 G -5.339 3.418 -8.386 -2.618 1 391 33 1234 702 Inactive Gatekeeper 11511 1KPF ALA 66 C -5.294 3.383 -8.512 -2.629 1 417 27 1236 604 Inactive Gatekeeper 11512 1KPF GLU 67 C -5.217 3.234 -8.833 -2.734 1 487 29 1210 482 Inactive Gatekeeper 11513 1KPF ASP 68 G -5.303 2.411 -8.972 -2.574 1 557 36 1145 378 Inactive Inactive 11514 1KPF ASP 69 G -5.342 2.369 -8.923 -2.585 1 570 42 1045 281 Inactive Inactive 11515 1KPF ASP 70 G -6.119 2.782 -11.019 -3.387 2 577 44 938 207 Inactive Inactive 11516 1KPF GLU 71 H -6.325 2.715 -11.397 -3.645 3 568 44 840 154 Inactive Inactive 11517 1KPF SER 72 H -7.347 4.15 -12.694 -4.366 5 542 56 751 118 Inactive Inactive 11518 1KPF LEU 73 H -10.327 9.282 -13.28 -3.437 5 500 69 692 99 Inactive Inactive 11519 1KPF LEU 74 H -10.44 10.349 -12.763 -3.431 7 457 75 654 88 Inactive Inactive 11520 1KPF GLY 75 H -10.105 9.418 -12.277 -3.061 5 400 80 565 65 Inactive Inactive 11521 1KPF HIS 76 H -10.354 9.757 -12.197 -3.053 5 392 88 476 39 Inactive Inactive 11522 1KPF LEU 77 H -10.001 10.397 -11.615 -3.021 5 388 168 404 23 Inactive Inactive 11523 1KPF MET 78 H -9.136 9.475 -12.143 -3.979 5 360 205 364 16 Inactive Inactive 11524 1KPF ILE 79 H -8.243 6.556 -10.346 -2.575 5 325 274 363 10 Inactive Inactive 11525 1KPF VAL 80 H -8.202 6.664 -10.39 -2.604 5 249 321 379 10 Inactive Inactive 11526 1KPF GLY 81 H -8.173 6.7 -10.472 -2.626 5 249 526 418 17 Inactive Inactive 11527 1KPF LYS 82 H -8.159 6.653 -10.582 -2.66 5 236 554 478 31 Inactive Inactive 11528 1KPF LYS 83 H -7.786 6.91 -11.249 -3.451 5 237 595 576 54 Inactive Inactive 11529 1KPF CYS 84 H -7.573 7.888 -12.196 -4.751 5 259 639 688 91 Inactive Inactive 11530 1KPF ALA 85 H -6.675 5.179 -9.418 -2.764 1 265 674 822 129 Inactive Inactive 11531 1KPF ALA 86 H -6.576 5.254 -9.37 -2.695 2 279 681 932 156 Inactive Inactive 11532 1KPF ASP 87 H -6.268 5.531 -9.334 -2.884 2 290 674 1021 186 Inactive Inactive 11533 1KPF LEU 88 H -5.309 6.545 -8.535 -3.811 2 289 668 1117 216 Inactive Inactive 11534 1KPF GLY 89 C -3.424 2.01 -5.894 -2.436 1 327 667 1222 256 Inactive Inactive 11535 1KPF LEU 90 T -3.405 2.194 -5.88 -2.445 1 333 593 1319 309 Inactive Permissive 11536 1KPF ASN 91 T -3.405 2.193 -5.879 -2.446 1 441 581 1391 356 Inactive Permissive 11537 1KPF LYS 92 T -3.407 2.182 -5.869 -2.444 1 591 597 1444 398 Inactive Permissive 11538 1KPF GLY 93 T -3.426 2.025 -5.783 -2.389 1 903 1013 1481 431 Inactive Permissive 11539 1KPF TYR 94 E -5.387 7.481 -5.792 -2.689 1 1459 1446 1495 454 Gatekeeper Permissive 11540 1KPF ARG 95 E -7.932 9.337 -10.801 -4.243 4 1947 1910 1488 481 Selective Selective 11541 1KPF MET 96 E -8.602 12.774 -12.238 -6.037 7 2296 2266 1453 481 Selective Selective 11542 1KPF VAL 97 E -9.27 10.094 -12.922 -4.461 5 2683 2777 1380 457 Selective Permissive 11543 1KPF VAL 98 C -9.26 8.878 -13.555 -4.394 5 3154 3233 1318 461 Selective Permissive 11544 1KPF ASN 99 C -8.914 6.341 -13.757 -3.927 5 3713 3794 1305 503 Selective Selective 11545 1KPF GLU 100 C -5.929 0.652 -10.163 -2.781 1 4211 4195 1312 595 Selective Selective 11546 1KPF GLY 101 C -3.806 -1.882 -8.32 -2.371 1 4724 4677 1320 715 Selective Selective 11547 1KPF SER 102 G -3.804 -1.87 -8.336 -2.375 1 4997 4854 1329 833 Selective Selective 11548 1KPF ASP 103 G -3.802 -1.855 -8.349 -2.382 1 5292 5044 1325 941 Selective Selective 11549 1KPF GLY 104 G -3.802 -1.855 -8.35 -2.382 1 5482 5209 1330 1074 Selective Selective 11550 1KPF GLY 105 C -3.819 -1.924 -8.298 -2.371 1 5433 5226 1342 1224 Selective Selective 11551 1KPF GLN 106 C -6.783 2.475 -12.965 -4.093 3 5275 4918 1367 1388 Selective Selective 11552 1KPF SER 107 C -7.28 3.82 -13.408 -4.75 3 4711 4377 1402 1573 Selective Selective 11553 1KPF VAL 108 C -8.923 5.186 -12.488 -3.179 5 4302 4051 1453 1728 Selective Selective 11554 1KPF TYR 109 C -10.134 7.545 -12.985 -3.471 5 4010 3779 1498 1928 Selective Selective 11555 1KPF HIS 110 C -12.601 12.687 -14.941 -3.966 8 3609 3269 1576 2182 Selective Selective 11556 1KPF VAL 111 C -12.766 13.769 -13.543 -3.334 7 3226 2859 1633 2346 Selective Selective 11557 1KPF HIS 112 C -13.552 15.872 -13.653 -3.284 7 2654 2339 1648 2446 Selective Selective 11558 1KPF LEU 113 E -12.123 15.206 -13.205 -4.367 7 2173 2166 1645 2474 Selective Selective 11559 1KPF HIS 114 E -11.042 10.708 -12.452 -3.194 7 - - - - - - 11560 1KPF VAL 115 E -10.392 10.512 -12.713 -3.66 7 - - - - - - 11561 1KPF LEU 116 E -9.411 10.018 -14.963 -6.203 6 - - - - - - 11562 1KPF GLY 117 E -7.718 7.135 -14.542 -6.729 6 - - - - - - 11563 1KPF GLY 118 C -6.77 6.557 -13.016 -6.141 3 - - - - - - 11564 1KPF ARG 119 C -6.507 6.256 -12.708 -5.819 3 - - - - - - 11565 1KPF GLN 120 C -5.691 4.972 -11.008 -4.965 3 - - - - - - 11566 1KPF MET 121 C -5.087 4.64 -9.673 -4.314 2 - - - - - - 11567 1KPF HIS 122 T -1.537 1.502 -3.558 -2.27 1 - - - - - - 11568 1KPF TRP 123 T 0.245 3.381 -1.777 -2.943 1 - - - - - - 11569 1KPF PRO 124 T 0.245 3.381 -1.777 -2.943 1 - - - - - - 11570 1KPF PRO 125 T 0.245 3.381 -1.777 -2.943 1 - - - - - - 11571 1KPF GLY 126 C 0.245 3.381 -1.777 -2.943 1 - - - - - - 11572 1KTH GLU 1 C -6.742 5.215 -11.601 -4.129 3 - - - - - - 11573 1KTH THR 2 C -6.742 5.215 -11.601 -4.129 3 - - - - - - 11574 1KTH ASP 3 G -6.742 5.215 -11.601 -4.129 3 - - - - - - 11575 1KTH ILE 4 G -6.742 5.215 -11.601 -4.129 3 - - - - - - 11576 1KTH CYS 5 G -7.886 7.246 -14.085 -5.354 6 - - - - - - 11577 1KTH LYS 6 G -8.298 8.747 -14.319 -5.649 6 - - - - - - 11578 1KTH LEU 7 C -8.436 9.285 -13.883 -5.351 6 - - - - - - 11579 1KTH PRO 8 C -6.885 7.192 -11.568 -4.888 3 - - - - - - 11580 1KTH LYS 9 C -6.667 7.238 -11.672 -4.9 3 - - - - - - 11581 1KTH ASP 10 C -6.612 7.034 -11.859 -4.911 3 - - - - - - 11582 1KTH GLU 11 C -5.224 6.241 -10.15 -4.815 3 - - - - - - 11583 1KTH GLY 12 C -3.723 3.993 -8.022 -3.968 2 - - - - - - 11584 1KTH THR 13 B -3.619 4.402 -7.909 -3.932 2 3497 3156 993 807 Inactive Inactive 11585 1KTH CYS 14 C -3.529 4.726 -7.782 -3.877 1 3785 3768 1023 804 Inactive Inactive 11586 1KTH ARG 15 C -3.518 4.826 -7.763 -3.872 1 4030 4126 1055 798 Inactive Inactive 11587 1KTH ASP 16 C -3.549 4.762 -7.643 -3.821 1 4279 4449 1085 774 Inactive Inactive 11588 1KTH PHE 17 C -4.236 6.852 -7.197 -3.65 2 4634 4911 1110 741 Inactive Inactive 11589 1KTH ILE 18 E -4.606 7.124 -7.025 -3.555 2 4782 5120 1143 718 Inactive Inactive 11590 1KTH LEU 19 E -5.839 10.183 -7.024 -3.665 4 4818 5195 1179 688 Permissive Inactive 11591 1KTH LYS 20 E -7.525 12.76 -8.882 -4.603 4 4715 5159 1231 679 Inactive Inactive 11592 1KTH TRP 21 E -10.802 18.676 -11.06 -5.347 7 4722 5438 1277 711 Inactive Inactive 11593 1KTH TYR 22 E -11.835 14.749 -14.556 -5.347 8 4605 5725 1318 711 Inactive Inactive 11594 1KTH TYR 23 E -9.087 9.674 -12.912 -4.9 5 4636 5999 1337 647 Inactive Inactive 11595 1KTH ASP 24 E -4.912 6.374 -8.569 -4.379 2 4358 5966 1363 625 Inactive Inactive 11596 1KTH PRO 25 T -4.709 6.301 -8.72 -4.302 2 4152 6007 1390 635 Inactive Inactive 11597 1KTH ASN 26 T -4.696 6.277 -8.795 -4.311 2 4190 5882 1430 665 Inactive Permissive 11598 1KTH THR 27 T -4.696 6.277 -8.801 -4.311 2 4242 5604 1476 708 Inactive Permissive 11599 1KTH LYS 28 T -4.696 6.275 -8.799 -4.311 2 4502 6210 1525 769 Inactive Permissive 11600 1KTH SER 29 E -5.399 6.054 -9.325 -4.156 2 4817 7240 1602 866 Inactive Permissive 11601 1KTH CYS 30 E -6.961 5.268 -12.454 -4.741 3 5012 8158 1668 986 Selective Selective 11602 1KTH ALA 31 E -8.622 7.022 -13.673 -4.538 5 5471 9417 1714 1095 Selective Selective 11603 1KTH ARG 32 E -9.662 12.354 -12.688 -4.717 7 6101 10996 1752 1275 Selective Selective 11604 1KTH PHE 33 E -10.148 16.077 -11.515 -4.927 7 6627 12602 1744 1382 Selective Selective 11605 1KTH TRP 34 E -9.681 13.924 -13.11 -5.528 7 6715 13531 1711 1429 Selective Selective 11606 1KTH TYR 35 E -8.177 7.539 -13.645 -5.367 6 6757 14257 1681 1466 Selective Selective 11607 1KTH GLY 36 C -4.277 3.373 -10.412 -5.155 3 6885 14945 1656 1532 Selective Selective 11608 1KTH GLY 37 C -4.263 3.389 -10.496 -5.172 3 6989 15264 1622 1574 Selective Selective 11609 1KTH CYS 38 B -4.257 3.4 -10.526 -5.175 3 7109 15305 1589 1607 Selective Selective 11610 1KTH GLY 39 C -4.257 3.402 -10.53 -5.175 3 7260 15645 1544 1623 Selective Selective 11611 1KTH GLY 40 C -4.257 3.401 -10.528 -5.176 3 7245 15669 1488 1612 Selective Selective 11612 1KTH ASN 41 T -6.244 4.35 -13.832 -5.734 3 7051 14852 1405 1571 Selective Selective 11613 1KTH GLU 42 T -6.936 5.041 -13.81 -5.568 3 6525 13452 1314 1507 Selective Gatekeeper 11614 1KTH ASN 43 T -8.111 8.027 -14.406 -5.95 6 5957 12032 1233 1431 Selective Gatekeeper 11615 1KTH LYS 44 T -8.604 9.901 -13.857 -6.063 6 5249 10419 1156 1357 Selective Gatekeeper 11616 1KTH PHE 45 B -9.27 11.999 -13.138 -5.497 6 4442 8785 1094 1226 Gatekeeper Gatekeeper 11617 1KTH GLY 46 C -6.811 7.982 -11.397 -5.283 3 - - - - - - 11618 1KTH SER 47 C -6.778 7.996 -11.51 -5.29 3 - - - - - - 11619 1KTH GLN 48 H -6.777 8.006 -11.527 -5.297 3 - - - - - - 11620 1KTH LYS 49 H -6.74 8.029 -11.721 -5.354 3 - - - - - - 11621 1KTH GLU 50 H -6.73 8.025 -11.781 -5.368 3 - - - - - - 11622 1KTH CYS 51 H -7.762 9.323 -14.301 -6.184 6 - - - - - - 11623 1KTH GLU 52 H -6.761 10.904 -11.2 -6.074 3 - - - - - - 11624 1KTH LYS 53 H -4.973 9.585 -7.696 -4.827 2 - - - - - - 11625 1KTH VAL 54 H -4.423 8.745 -6.983 -4.163 2 - - - - - - 11626 1KTH CYS 55 H -2.957 6.167 -4.743 -3.053 1 - - - - - - 11627 1KTH ALA 56 C -2.957 6.167 -4.743 -3.053 1 - - - - - - 11628 1KTH PRO 57 C -2.957 6.167 -4.743 -3.053 1 - - - - - - 11629 1KTH VAL 58 C -2.957 6.167 -4.743 -3.053 1 - - - - - - 11630 1L8J LEU 8 C -9.912 11.632 -10.696 -3.462 4 - - - - - - 11631 1L8J GLN 9 E -9.912 11.632 -10.696 -3.462 4 - - - - - - 11632 1L8J ARG 10 E -9.912 11.632 -10.696 -3.462 4 - - - - - - 11633 1L8J LEU 11 E -9.912 11.632 -10.696 -3.462 4 - - - - - - 11634 1L8J HIS 12 E -12.751 14.127 -14.982 -4.787 8 - - - - - - 11635 1L8J MET 13 E -14.786 15.75 -18.8 -5.841 8 - - - - - - 11636 1L8J LEU 14 E -15.03 14.476 -19.128 -5.513 8 - - - - - - 11637 1L8J GLN 15 E -14.98 14.758 -19.05 -5.503 8 - - - - - - 11638 1L8J ILE 16 E -14.178 16.881 -15.784 -4.799 8 - - - - - - 11639 1L8J SER 17 E -13.859 16.698 -15.472 -4.69 8 - - - - - - 11640 1L8J TYR 18 E -13.216 17.607 -13.562 -4.317 7 - - - - - - 11641 1L8J PHE 19 E -11.407 16.94 -11.941 -4.756 7 - - - - - - 11642 1L8J ARG 20 E -8.121 10.219 -9.621 -3.853 4 1678 1976 1004 3697 Selective Gatekeeper 11643 1L8J ASP 21 E -8.067 10.339 -9.751 -3.883 4 1423 2058 976 3346 Selective Gatekeeper 11644 1L8J PRO 22 T -8.063 10.363 -9.764 -3.885 4 1250 2419 967 2980 Selective Gatekeeper 11645 1L8J TYR 23 T -8.063 10.363 -9.764 -3.885 4 1612 3004 963 2598 Selective Gatekeeper 11646 1L8J HIS 24 E -8.065 10.341 -9.757 -3.882 4 1873 3187 962 2231 Selective Gatekeeper 11647 1L8J VAL 25 E -9.462 11.773 -11.166 -4.189 4 2070 3377 956 1866 Selective Gatekeeper 11648 1L8J TRP 26 E -11.009 14.061 -11.934 -4.164 7 2283 3519 964 1604 Selective Gatekeeper 11649 1L8J TYR 27 E -12.324 14.095 -15.098 -4.723 8 2314 3438 964 1359 Selective Inactive 11650 1L8J GLN 28 E -10.752 8.723 -14.772 -4.426 6 2181 3232 958 1101 Selective Inactive 11651 1L8J GLY 29 E -10.436 9.715 -14.626 -4.599 6 2004 3083 962 915 Selective Inactive 11652 1L8J ASN 30 E -10.274 10.042 -14.362 -4.54 6 1935 2877 950 783 Selective Inactive 11653 1L8J ALA 31 E -9.07 9.719 -11.988 -4.214 5 1803 2417 954 664 Selective Inactive 11654 1L8J SER 32 E -6.084 7.418 -8.771 -4.083 2 1783 2336 956 591 Selective Inactive 11655 1L8J LEU 33 E -4.702 7.832 -7.193 -4.214 2 1730 2343 959 538 Selective Inactive 11656 1L8J GLY 34 T -4.553 7.466 -7.824 -4.38 2 1777 2459 957 490 Selective Inactive 11657 1L8J GLY 35 T -4.552 7.467 -7.83 -4.38 2 1688 2204 950 448 Selective Inactive 11658 1L8J HIS 36 E -4.552 7.466 -7.828 -4.38 2 1335 1687 943 422 Selective Inactive 11659 1L8J LEU 37 E -4.598 7.471 -7.753 -4.404 2 1189 1655 944 396 Selective Inactive 11660 1L8J THR 38 E -5.439 6.198 -10.035 -4.956 3 1086 1606 931 364 Gatekeeper Inactive 11661 1L8J HIS 39 E -8.348 8.562 -11.824 -4.595 5 1092 1726 930 320 Gatekeeper Inactive 11662 1L8J VAL 40 E -10.063 11.885 -13.592 -4.75 7 1196 1940 954 320 Selective Inactive 11663 1L8J LEU 41 E -9.853 13.79 -14.011 -6.044 8 1294 2097 959 316 Selective Inactive 11664 1L8J GLU 42 E -8.35 6.726 -12.681 -4.277 5 1393 2195 922 291 Selective Inactive 11665 1L8J GLY 43 E -5.09 3.806 -8.885 -3.664 2 1527 2632 896 276 Selective Inactive 11666 1L8J PRO 44 E -3.835 6.386 -6.97 -4.087 2 1550 2775 854 262 Selective Inactive 11667 1L8J ASP 45 T -3.681 6.453 -6.986 -4.061 2 1508 2642 811 245 Selective Inactive 11668 1L8J THR 46 T -3.562 7.039 -6.691 -4.025 2 1460 2489 787 230 Selective Inactive 11669 1L8J ASN 47 T -3.558 7.067 -6.693 -4.023 2 1333 2286 757 215 Selective Inactive 11670 1L8J THR 48 T -3.604 7.332 -6.513 -4.051 2 1289 2165 735 191 Selective Inactive 11671 1L8J THR 49 E -4.142 8.192 -6.212 -3.905 2 1181 2047 701 170 Selective Inactive 11672 1L8J ILE 50 E -4.551 9.705 -5.407 -3.843 2 1058 1896 654 153 Gatekeeper Inactive 11673 1L8J ILE 51 E -6.408 10.522 -7.206 -3.739 4 950 1755 621 146 Gatekeeper Inactive 11674 1L8J GLN 52 E -8.397 11.249 -11.235 -4.377 4 717 1485 582 140 Gatekeeper Inactive 11675 1L8J LEU 53 T -8.616 10.339 -11.808 -4.338 5 552 1232 559 131 Gatekeeper Inactive 11676 1L8J GLN 54 T -8.737 9.608 -12.065 -4.303 5 422 992 565 164 Gatekeeper Inactive 11677 1L8J PRO 55 T -8.679 9.316 -12.314 -4.349 5 257 754 594 245 Inactive Inactive 11678 1L8J LEU 56 T -9.029 9.296 -12.85 -4.546 5 112 307 632 347 Inactive Inactive 11679 1L8J GLN 57 T -9.648 8.395 -14.79 -4.909 6 74 158 678 459 Inactive Inactive 11680 1L8J GLU 58 T -9.661 8.227 -14.84 -4.884 6 67 156 716 538 Inactive Inactive 11681 1L8J PRO 59 H -9.705 8.118 -14.71 -4.784 6 67 159 739 581 Inactive Inactive 11682 1L8J GLU 60 H -10.415 7.367 -16.481 -4.849 6 73 124 776 650 Inactive Inactive 11683 1L8J SER 61 H -10.529 7.302 -16.448 -4.798 6 75 124 832 747 Inactive Inactive 11684 1L8J TRP 62 H -10.879 9.413 -15.767 -4.845 6 117 143 895 896 Inactive Inactive 11685 1L8J ALA 63 H -11.209 8.804 -16.513 -4.692 6 124 115 997 1129 Inactive Inactive 11686 1L8J ARG 64 H -11.29 6.808 -17.425 -4.479 6 231 179 1094 1428 Inactive Inactive 11687 1L8J THR 65 H -10.966 7.109 -16.788 -4.551 6 386 227 1171 1734 Inactive Gatekeeper 11688 1L8J GLN 66 H -10.835 7.385 -16.663 -4.594 6 432 321 1218 2054 Inactive Selective 11689 1L8J SER 67 H -9.868 7.248 -14.32 -4.11 6 462 383 1245 2355 Inactive Selective 11690 1L8J GLY 68 H -9.876 7.335 -14.267 -4.123 6 503 444 1268 2604 Inactive Selective 11691 1L8J LEU 69 H -9.9 7.403 -14.101 -4.091 5 538 464 1267 2832 Inactive Selective 11692 1L8J GLN 70 H -9.952 7.365 -13.934 -4.044 5 603 498 1268 3100 Inactive Selective 11693 1L8J SER 71 H -9.982 7.297 -13.817 -4.008 5 669 570 1257 3488 Inactive Selective 11694 1L8J TYR 72 H -12.278 10.606 -16.308 -4.659 8 762 660 1252 3918 Inactive Selective 11695 1L8J LEU 73 H -13.294 11.658 -17.198 -4.541 8 777 677 1241 4238 Inactive Selective 11696 1L8J LEU 74 H -13.191 10.646 -17.988 -4.765 8 792 679 1190 4429 Inactive Selective 11697 1L8J GLN 75 H -13.573 10.549 -19.258 -5.236 8 801 649 1128 4488 Inactive Gatekeeper 11698 1L8J PHE 76 H -12.704 14.155 -14.916 -4.621 8 810 643 1037 4406 Inactive Gatekeeper 11699 1L8J HIS 77 H -11.418 12.85 -12.984 -4.011 7 712 569 959 4210 Inactive Gatekeeper 11700 1L8J GLY 78 H -10.346 12.391 -11.79 -3.89 7 589 516 894 3995 Inactive Gatekeeper 11701 1L8J LEU 79 H -10.271 12.796 -11.764 -3.91 7 669 444 842 3745 Inactive Gatekeeper 11702 1L8J VAL 80 H -10.263 12.828 -11.774 -3.906 7 707 412 819 3480 Inactive Gatekeeper 11703 1L8J ARG 81 H -10.166 12.689 -11.915 -3.909 7 764 375 806 3211 Inactive Gatekeeper 11704 1L8J LEU 82 H -9.821 11.778 -12.033 -3.986 7 829 366 798 2937 Inactive Gatekeeper 11705 1L8J VAL 83 H -9.797 11.597 -12.243 -4.096 7 909 347 774 2621 Inactive Gatekeeper 11706 1L8J HIS 84 H -7.799 9.291 -11.046 -4.571 5 1018 299 773 2223 Inactive Gatekeeper 11707 1L8J GLN 85 H -7.62 9.819 -10.649 -4.41 4 1047 277 778 1850 Inactive Gatekeeper 11708 1L8J GLU 86 H -7.359 10.166 -10.007 -4.144 4 1129 345 781 1578 Permissive Gatekeeper 11709 1L8J ARG 87 H -7.263 10.911 -9.518 -4.046 4 1262 517 808 1457 Permissive Inactive 11710 1L8J THR 88 C -6.291 12.376 -6.044 -3.324 4 1268 620 846 1467 Permissive Inactive 11711 1L8J LEU 89 C -6.276 12.808 -5.766 -3.27 4 1304 857 903 1534 Selective Inactive 11712 1L8J ALA 90 C -6.284 12.858 -5.696 -3.253 4 1343 1053 946 1647 Selective Gatekeeper 11713 1L8J PHE 91 C -6.319 12.987 -5.501 -3.228 1 1332 1131 1012 1801 Selective Gatekeeper 11714 1L8J PRO 92 C -6.338 12.922 -5.454 -3.219 1 1235 1274 1065 1942 Selective Gatekeeper 11715 1L8J LEU 93 E -7.568 14.281 -7.104 -3.682 4 1245 1693 1098 2107 Selective Gatekeeper 11716 1L8J THR 94 E -8.83 13.649 -8.342 -3.455 4 1192 1946 1135 2318 Selective Gatekeeper 11717 1L8J ILE 95 E -10.753 16.789 -9.997 -3.629 7 1224 2705 1182 2519 Selective Gatekeeper 11718 1L8J ARG 96 E -11.336 15.392 -12.338 -4.006 7 1236 3514 1251 2729 Selective Selective 11719 1L8J CYS 97 E -11.388 14.202 -13.751 -4.576 7 1140 4164 1318 2897 Selective Selective 11720 1L8J PHE 98 E -11.485 13.794 -14.286 -4.778 7 1122 4782 1379 3022 Gatekeeper Selective 11721 1L8J LEU 99 E -11.276 13.911 -15.354 -5.759 8 1075 5188 1429 3054 Gatekeeper Selective 11722 1L8J GLY 100 E -10.93 12.668 -15.741 -5.775 8 1001 5569 1480 2986 Gatekeeper Selective 11723 1L8J CYS 101 E -9.925 10.756 -14.227 -5.168 6 1086 6048 1535 2837 Gatekeeper Selective 11724 1L8J GLU 102 E -6.941 8.434 -9.053 -3.779 4 1478 6898 1617 2703 Selective Selective 11725 1L8J LEU 103 E -2.908 6.027 -4.226 -3.155 1 1878 7819 1692 2610 Selective Selective 11726 1L8J PRO 104 T -0.957 2.867 -3.843 -3.177 1 2374 8831 1738 2482 Selective Selective 11727 1L8J PRO 105 T -0.946 2.865 -3.922 -3.192 1 2647 8993 1792 2354 Selective Selective 11728 1L8J GLU 106 T -0.945 2.872 -3.935 -3.194 1 2894 8601 1846 2218 Selective Selective 11729 1L8J GLY 107 T -0.945 2.872 -3.935 -3.194 1 3050 8389 1882 2060 Selective Selective 11730 1L8J SER 108 C -0.976 2.652 -3.851 -3.141 1 3192 7766 1921 1892 Selective Selective 11731 1L8J ARG 109 C -3.448 2.139 -6.966 -2.931 1 3287 7171 1938 1698 Selective Selective 11732 1L8J ALA 110 C -4.636 4.279 -7.396 -3.092 1 3537 6793 1946 1515 Selective Permissive 11733 1L8J HIS 111 E -6.678 6.632 -9.897 -3.595 2 3573 6366 1924 1337 Selective Permissive 11734 1L8J VAL 112 E -7.597 10.48 -10.482 -4.646 4 3669 6178 1915 1234 Selective Permissive 11735 1L8J PHE 113 E -9.229 13.999 -12.621 -6.418 7 3677 5841 1896 1193 Selective Permissive 11736 1L8J PHE 114 E -10.871 18.213 -10.645 -4.274 7 3568 5443 1883 1194 Selective Permissive 11737 1L8J GLU 115 E -9.874 12.204 -11.151 -3.784 7 3166 4488 1823 1158 Selective Permissive 11738 1L8J VAL 116 E -7.628 9.012 -9.368 -3.597 4 2753 3560 1760 1052 Selective Permissive 11739 1L8J ALA 117 E -6.097 6.104 -8.792 -3.409 2 2258 2545 1680 941 Selective Permissive 11740 1L8J VAL 118 E -4.761 5.738 -7.394 -3.43 2 1970 2256 1605 851 Selective Permissive 11741 1L8J ASN 119 T -4.757 5.77 -7.415 -3.437 2 1665 2263 1524 754 Selective Permissive 11742 1L8J GLY 120 T -4.756 5.783 -7.416 -3.437 2 1466 2208 1456 659 Selective Permissive 11743 1L8J SER 121 E -4.76 5.758 -7.401 -3.435 2 1219 2082 1379 619 Selective Permissive 11744 1L8J SER 122 E -4.82 5.746 -7.257 -3.44 2 981 1876 1308 585 Gatekeeper Permissive 11745 1L8J PHE 123 E -7.514 10.49 -9.746 -4.174 4 669 1613 1243 583 Gatekeeper Permissive 11746 1L8J VAL 124 E -8.427 12.344 -8.425 -3.473 4 537 1352 1212 578 Gatekeeper Permissive 11747 1L8J SER 125 E -11.991 14.746 -13.705 -4.215 7 379 1051 1188 590 Gatekeeper Permissive 11748 1L8J PHE 126 E -10.905 13.206 -11.822 -3.837 7 295 840 1158 579 Inactive Inactive 11749 1L8J ARG 127 E -9.515 10.463 -11.192 -3.601 4 258 654 1110 543 Inactive Inactive 11750 1L8J PRO 128 G -9.39 10.376 -11.456 -3.639 5 218 518 1077 531 Inactive Inactive 11751 1L8J GLU 129 G -9.38 10.421 -11.505 -3.663 5 202 324 1073 566 Inactive Inactive 11752 1L8J ARG 130 G -9.38 10.42 -11.505 -3.663 5 220 243 1108 646 Inactive Inactive 11753 1L8J ALA 131 C -9.422 10.23 -11.504 -3.656 5 252 201 1130 743 Inactive Inactive 11754 1L8J LEU 132 E -10.298 10.434 -12.854 -3.953 7 300 142 1187 860 Inactive Permissive 11755 1L8J TRP 133 E -11.335 13.406 -15.416 -5.47 8 341 128 1205 916 Inactive Permissive 11756 1L8J GLN 134 E -8.166 7.653 -13.178 -5.241 6 347 120 1254 914 Inactive Permissive 11757 1L8J ALA 135 E -4.262 5.31 -6.937 -3.632 1 356 95 1333 967 Inactive Permissive 11758 1L8J ASP 136 C -2.93 4.69 -5.92 -3.718 1 403 64 1421 1039 Inactive Permissive 11759 1L8J THR 137 C -2.692 4.356 -5.977 -3.544 1 429 66 1475 1178 Inactive Permissive 11760 1L8J GLN 138 C -2.541 3.851 -6.319 -3.535 1 486 71 1507 1376 Inactive Permissive 11761 1L8J VAL 139 C -2.536 3.859 -6.345 -3.539 1 554 76 1547 1538 Inactive Permissive 11762 1L8J THR 140 C -2.569 3.77 -6.304 -3.529 1 618 89 1573 1648 Inactive Selective 11763 1L8J SER 141 C -2.971 2.921 -6.718 -3.299 1 660 99 1601 1728 Inactive Selective 11764 1L8J GLY 142 H -3.414 2.136 -7.454 -3.451 1 680 108 1590 1744 Inactive Selective 11765 1L8J VAL 143 H -5.338 5.013 -9.461 -3.959 2 685 103 1557 1706 Inactive Selective 11766 1L8J VAL 144 H -6.842 8.511 -10.144 -4.258 4 675 102 1531 1644 Inactive Selective 11767 1L8J THR 145 H -7.695 10.257 -11.904 -5.497 5 615 94 1472 1550 Inactive Permissive 11768 1L8J PHE 146 H -8.986 15.168 -12.978 -7.201 7 597 95 1450 1558 Inactive Permissive 11769 1L8J THR 147 H -10.455 17.373 -13.879 -7.208 8 593 80 1432 1630 Inactive Selective 11770 1L8J LEU 148 H -11.617 15.628 -13.925 -5.049 7 624 78 1386 1671 Inactive Selective 11771 1L8J GLN 149 H -11.696 13.609 -15.022 -5.079 8 622 77 1336 1706 Inactive Selective 11772 1L8J GLN 150 H -11.625 12.074 -15.67 -5.091 8 682 73 1319 1687 Inactive Selective 11773 1L8J LEU 151 H -9.918 9.291 -13.477 -4.515 5 736 65 1298 1601 Inactive Selective 11774 1L8J ASN 152 H -9.72 8.533 -13.973 -4.497 5 920 89 1299 1665 Inactive Selective 11775 1L8J ALA 153 C -8.742 7.584 -12.717 -4.176 5 1139 102 1320 1927 Permissive Selective 11776 1L8J TYR 154 C -8.742 7.578 -12.714 -4.174 5 1450 182 1337 2314 Permissive Selective 11777 1L8J ASN 155 H -8.745 7.563 -12.704 -4.171 5 1678 219 1407 2838 Permissive Selective 11778 1L8J ARG 156 H -8.828 7.327 -12.607 -4.124 5 1849 224 1493 3471 Permissive Selective 11779 1L8J THR 157 H -8.867 7.367 -12.429 -4.102 5 1987 268 1594 4233 Permissive Selective 11780 1L8J ARG 158 H -12.604 10.904 -17.383 -5.067 8 2166 297 1695 5125 Permissive Selective 11781 1L8J TYR 159 H -12.572 12.839 -16.284 -5.05 8 2225 335 1809 5870 Permissive Selective 11782 1L8J GLU 160 H -12.388 13.502 -15.585 -4.907 8 2230 351 1888 6496 Permissive Selective 11783 1L8J LEU 161 H -12.364 13.771 -15.438 -4.877 8 2207 361 1944 6930 Permissive Selective 11784 1L8J ARG 162 H -12.374 13.774 -15.408 -4.878 8 2178 370 1988 7208 Permissive Selective 11785 1L8J GLU 163 H -12.315 13.772 -15.487 -4.891 8 2093 371 2010 7363 Permissive Selective 11786 1L8J PHE 164 H -12.57 14.478 -15.349 -4.817 8 2006 373 2017 7432 Permissive Selective 11787 1L8J LEU 165 H -12.098 11.542 -16.057 -4.925 8 - - - - - - 11788 1L8J GLU 166 H -11.403 9.153 -16.278 -4.818 6 - - - - - - 11789 1L8J ASP 167 H -10.186 7.398 -14.623 -4.246 6 - - - - - - 11790 1L8J THR 168 H -10.18 7.44 -14.636 -4.251 6 - - - - - - 11791 1L8J CYS 169 H -10.181 7.431 -14.635 -4.251 6 - - - - - - 11792 1L8J VAL 170 H -10.175 7.829 -14.548 -4.335 6 - - - - - - 11793 1L8J GLN 171 H -10.121 9.447 -14.097 -4.623 6 - - - - - - 11794 1L8J TYR 172 H -9.565 16.822 -10.188 -5.36 7 - - - - - - 11795 1L8J VAL 173 H -5.715 11.376 -6.005 -3.904 4 - - - - - - 11796 1L8J GLN 174 H -4.184 8.836 -5.623 -3.744 1 - - - - - - 11797 1L8J LYS 175 H -4.184 8.836 -5.623 -3.744 1 - - - - - - 11798 1L8J HIS 176 H -4.184 8.836 -5.623 -3.744 1 - - - - - - 11799 1L8J ILE 177 C -4.184 8.836 -5.623 -3.744 1 - - - - - - 11800 1L9L GLY 1 H -10.986 9.745 -16.489 -5.268 6 - - - - - - 11801 1L9L ARG 2 H -10.986 9.745 -16.489 -5.268 6 - - - - - - 11802 1L9L ASP 3 H -10.986 9.745 -16.489 -5.268 6 - - - - - - 11803 1L9L TYR 4 H -10.986 9.745 -16.489 -5.268 6 - - - - - - 11804 1L9L ARG 5 H -10.406 10.908 -14.533 -5.047 6 - - - - - - 11805 1L9L THR 6 H -9.507 13.05 -12.185 -4.973 7 - - - - - - 11806 1L9L CYS 7 H -9.026 12.908 -11.509 -4.652 7 - - - - - - 11807 1L9L LEU 8 H -9 12.918 -11.571 -4.649 7 - - - - - - 11808 1L9L THR 9 H -8.977 12.913 -11.652 -4.661 7 - - - - - - 11809 1L9L ILE 10 H -9.023 13.082 -11.451 -4.637 7 - - - - - - 11810 1L9L VAL 11 H -9.282 12.833 -11.345 -4.463 7 - - - - - - 11811 1L9L GLN 12 H -10.32 12.654 -13.962 -4.954 7 - - - - - - 11812 1L9L LYS 13 H -10.383 12.527 -14.752 -5.391 6 135 4 1067 1468 Inactive Selective 11813 1L9L LEU 14 H -10.12 12.34 -14.009 -5.146 6 107 3 1009 1274 Inactive Selective 11814 1L9L LYS 15 H -8.545 8.704 -12.93 -4.859 5 66 2 949 1064 Inactive Selective 11815 1L9L LYS 16 H -6.353 7.927 -9.983 -4.566 3 52 11 913 894 Inactive Selective 11816 1L9L MET 17 H -5.699 8.683 -8.775 -4.265 2 28 27 866 722 Inactive Selective 11817 1L9L VAL 18 T -4.734 7.282 -7.627 -3.792 2 49 79 820 554 Inactive Gatekeeper 11818 1L9L ASP 19 T -4.654 7.154 -7.87 -3.831 2 72 138 771 411 Inactive Inactive 11819 1L9L LYS 20 T -4.649 7.149 -7.893 -3.83 2 88 168 704 279 Inactive Inactive 11820 1L9L PRO 21 T -4.682 7.105 -7.777 -3.787 2 110 202 617 189 Inactive Inactive 11821 1L9L THR 22 C -4.758 6.838 -7.724 -3.742 2 122 208 547 119 Inactive Inactive 11822 1L9L GLN 23 H -5.828 6.325 -9.644 -4.075 2 187 229 458 84 Inactive Inactive 11823 1L9L ARG 24 H -7.354 6.878 -11 -3.846 3 209 230 402 55 Inactive Inactive 11824 1L9L SER 25 H -9.09 8.163 -13.466 -4.121 5 220 237 351 28 Inactive Inactive 11825 1L9L VAL 26 H -9.311 8.71 -13.319 -4.143 5 224 240 327 13 Inactive Inactive 11826 1L9L SER 27 H -9.367 7.467 -14.32 -4.331 5 232 244 306 5 Inactive Inactive 11827 1L9L ASN 28 H -8.905 7.41 -13.772 -4.217 5 246 249 292 4 Inactive Inactive 11828 1L9L ALA 29 H -8.884 7.621 -13.649 -4.196 5 296 250 275 2 Inactive Inactive 11829 1L9L ALA 30 H -8.872 7.646 -13.676 -4.201 5 410 240 265 0 Inactive Inactive 11830 1L9L THR 31 H -8.852 7.516 -13.759 -4.198 5 486 197 249 2 Inactive Inactive 11831 1L9L ARG 32 H -9.014 7.807 -13.665 -4.139 5 532 146 250 4 Inactive Inactive 11832 1L9L VAL 33 H -8.246 7.241 -12.86 -4.442 5 581 134 266 9 Inactive Inactive 11833 1L9L CYS 34 T -6.271 4.47 -10.887 -3.913 2 740 147 308 20 Inactive Inactive 11834 1L9L ARG 35 T -5.795 4.12 -10.61 -3.678 2 892 165 341 31 Inactive Inactive 11835 1L9L THR 36 T -5.622 3.983 -10.682 -3.63 2 975 195 379 46 Inactive Inactive 11836 1L9L GLY 37 C -5.617 4.012 -10.694 -3.633 2 1146 255 424 66 Permissive Inactive 11837 1L9L ARG 38 C -5.623 3.98 -10.673 -3.624 2 1575 309 490 110 Selective Inactive 11838 1L9L SER 39 H -5.854 3.792 -10.604 -3.495 2 2037 372 563 166 Selective Inactive 11839 1L9L ARG 40 H -6.413 3.72 -10.945 -3.506 2 2669 740 632 208 Selective Inactive 11840 1L9L TRP 41 H -8.348 7.14 -12.157 -3.931 5 3330 1069 693 248 Selective Inactive 11841 1L9L ARG 42 H -10.443 9.361 -13.338 -3.649 5 4032 1225 764 286 Selective Inactive 11842 1L9L ASP 43 H -10.464 6.335 -16.7 -5.002 6 4740 1401 833 381 Selective Permissive 11843 1L9L VAL 44 H -10.467 6.33 -16.689 -5.002 6 5333 1509 913 499 Selective Selective 11844 1L9L CYS 45 H -10.468 6.318 -16.679 -4.999 6 6069 1724 988 621 Selective Selective 11845 1L9L ARG 46 H -10.465 6.355 -16.673 -4.996 6 6652 1763 1043 722 Selective Selective 11846 1L9L ASN 47 H -9.99 10.125 -14.33 -4.846 6 6870 1820 1071 801 Selective Selective 11847 1L9L PHE 48 H -10.296 13.334 -12.562 -4.74 7 7143 1862 1095 882 Selective Selective 11848 1L9L MET 49 H -10.022 13.018 -12.768 -4.725 7 7299 1824 1125 949 Selective Selective 11849 1L9L ARG 50 H -9.575 11.504 -12.68 -4.335 7 7312 1786 1151 1004 Selective Selective 11850 1L9L ARG 51 H -9.576 11.502 -12.674 -4.333 7 6992 1845 1178 1031 Selective Selective 11851 1L9L TYR 52 H -9.767 10.874 -12.75 -4.184 5 6561 1834 1212 1043 Selective Selective 11852 1L9L GLN 53 H -9.781 10.736 -12.746 -4.167 5 5941 1483 1261 1080 Selective Selective 11853 1L9L SER 54 H -9.95 10.162 -12.616 -3.99 5 5277 1200 1322 1145 Selective Selective 11854 1L9L ARG 55 H -13.22 10.889 -18.449 -4.737 8 4535 1072 1350 1223 Selective Selective 11855 1L9L VAL 56 H -11.188 13.666 -13.339 -4.652 7 3732 955 1371 1178 Selective Selective 11856 1L9L ILE 57 H -10.624 12.535 -13.562 -4.598 7 3053 856 1358 1084 Selective Selective 11857 1L9L GLN 58 H -8.782 9.54 -12.071 -4.36 5 2256 712 1308 973 Selective Selective 11858 1L9L GLY 59 H -6.808 8.293 -9.844 -4.126 4 1636 770 1276 884 Selective Selective 11859 1L9L LEU 60 H -6.73 8.362 -10.032 -4.169 4 1265 741 1246 806 Selective Selective 11860 1L9L VAL 61 H -6.586 7.746 -10.63 -4.284 3 846 721 1226 719 Gatekeeper Selective 11861 1L9L ALA 62 H -6.503 7.582 -10.917 -4.368 3 - - - - - - 11862 1L9L GLY 63 C -6.51 7.543 -10.928 -4.375 3 - - - - - - 11863 1L9L GLU 64 C -7.022 6.574 -12.585 -4.741 3 - - - - - - 11864 1L9L THR 65 C -7.119 6.286 -12.823 -4.804 3 - - - - - - 11865 1L9L ALA 66 H -7.568 7.162 -12.854 -4.919 3 - - - - - - 11866 1L9L GLN 67 H -8.5 9.637 -12.948 -4.923 5 - - - - - - 11867 1L9L GLN 68 H -8.657 10.4 -12.372 -4.845 5 - - - - - - 11868 1L9L ILE 69 H -8.476 11.462 -12.049 -5.107 5 - - - - - - 11869 1L9L CYS 70 H -6.922 8.804 -10.427 -4.69 5 - - - - - - 11870 1L9L GLU 71 G -5.18 7.703 -7.308 -3.518 2 - - - - - - 11871 1L9L ASP 72 G -5.18 7.703 -7.308 -3.518 2 - - - - - - 11872 1L9L LEU 73 G -5.18 7.703 -7.308 -3.518 2 - - - - - - 11873 1L9L ARG 74 C -5.18 7.703 -7.308 -3.518 2 - - - - - - 11874 1LCL SER 2 C -6.104 6.416 -9.311 -3.266 2 - - - - - - 11875 1LCL LEU 3 C -6.104 6.416 -9.311 -3.266 2 - - - - - - 11876 1LCL LEU 4 B -6.104 6.416 -9.311 -3.266 2 - - - - - - 11877 1LCL PRO 5 T -6.104 6.416 -9.311 -3.266 2 - - - - - - 11878 1LCL VAL 6 T -6.83 8.885 -9.662 -3.871 4 - - - - - - 11879 1LCL PRO 7 T -7.255 9.595 -9.842 -4.199 4 - - - - - - 11880 1LCL TYR 8 E -9.117 12.99 -12.072 -4.839 7 - - - - - - 11881 1LCL THR 9 E -8.999 12.047 -12.331 -4.692 7 - - - - - - 11882 1LCL GLU 10 E -8.995 11.934 -12.321 -4.633 7 - - - - - - 11883 1LCL ALA 11 E -9.07 11.562 -12.481 -4.617 7 - - - - - - 11884 1LCL ALA 12 C -9.444 10.553 -13.289 -4.451 5 - - - - - - 11885 1LCL SER 13 C -9.398 9.998 -13.571 -4.497 5 - - - - - - 11886 1LCL LEU 14 C -9.619 11.001 -13.698 -4.754 7 478 2229 1192 1065 Selective Inactive 11887 1LCL SER 15 T -9.324 10.33 -14.224 -5.178 6 444 2206 1180 1058 Selective Inactive 11888 1LCL THR 16 T -9.188 10.591 -14.108 -5.251 6 433 2156 1177 1025 Selective Inactive 11889 1LCL GLY 17 T -9.054 10.641 -14.059 -5.295 6 405 2054 1172 978 Selective Inactive 11890 1LCL SER 18 E -9.19 10.68 -14.205 -5.406 6 368 1713 1146 922 Selective Inactive 11891 1LCL THR 19 E -9.241 10.637 -14.206 -5.429 6 430 1681 1140 844 Selective Inactive 11892 1LCL VAL 20 E -9.482 11.586 -13.746 -5.295 6 454 1634 1101 760 Selective Inactive 11893 1LCL THR 21 E -9.786 11.673 -13.795 -5.297 6 466 1633 1067 665 Selective Inactive 11894 1LCL ILE 22 E -10.732 14.451 -13.727 -5.203 7 476 1623 1022 576 Selective Inactive 11895 1LCL LYS 23 E -10.718 13.996 -13.959 -5.2 7 438 1590 930 486 Selective Inactive 11896 1LCL GLY 24 E -9.161 9.99 -11.963 -4.043 5 397 1575 860 390 Selective Inactive 11897 1LCL ARG 25 E -8.787 9.646 -11.895 -3.949 5 378 1515 814 342 Selective Inactive 11898 1LCL PRO 26 E -8.547 10.891 -11.257 -3.975 4 373 1545 780 301 Selective Inactive 11899 1LCL LEU 27 C -8.254 10.63 -11.25 -4.023 4 351 1340 763 277 Selective Inactive 11900 1LCL VAL 28 C -7.372 8.992 -10.708 -4.122 4 315 1123 778 318 Selective Inactive 11901 1LCL CYS 29 C -6.922 9.234 -10.683 -4.558 5 230 885 826 390 Gatekeeper Inactive 11902 1LCL PHE 30 G -6.912 9.319 -10.692 -4.584 5 204 732 895 512 Gatekeeper Inactive 11903 1LCL LEU 31 G -6.878 9.317 -10.803 -4.636 5 175 663 985 724 Gatekeeper Inactive 11904 1LCL ASN 32 G -6.9 9.288 -10.788 -4.658 5 94 556 1099 1038 Gatekeeper Inactive 11905 1LCL GLU 33 C -7.155 9.702 -10.913 -4.93 3 66 484 1238 1461 Gatekeeper Inactive 11906 1LCL PRO 34 C -8.168 10.811 -11.85 -5.046 5 50 447 1368 1847 Gatekeeper Inactive 11907 1LCL TYR 35 E -8.395 10.44 -11.977 -5.121 5 114 360 1491 2334 Inactive Inactive 11908 1LCL LEU 36 E -10.856 15.635 -12.734 -5.37 7 142 282 1644 2890 Inactive Permissive 11909 1LCL GLN 37 E -13.397 17.671 -15.9 -5.671 8 233 180 1769 3389 Inactive Permissive 11910 1LCL VAL 38 E -13.711 17.967 -15.6 -5.231 8 280 145 1850 3755 Inactive Permissive 11911 1LCL ASP 39 E -13.987 16.4 -17.401 -5.607 8 344 92 1920 4096 Permissive Selective 11912 1LCL PHE 40 E -12.938 16.21 -16.224 -5.934 8 581 92 1956 4428 Permissive Selective 11913 1LCL HIS 41 E -10.146 11.309 -15.088 -6.156 6 810 67 1966 4679 Permissive Selective 11914 1LCL THR 42 C -8.304 9.513 -13.598 -6.031 6 1295 60 1968 5033 Permissive Selective 11915 1LCL GLU 43 C -6.996 7.163 -12.898 -5.726 3 1761 88 1982 5483 Permissive Selective 11916 1LCL MET 44 C -6.77 6.935 -13.016 -5.649 3 2101 119 1993 5959 Permissive Selective 11917 1LCL LYS 45 T -6.763 6.922 -13.055 -5.648 3 2438 200 2000 6463 Permissive Selective 11918 1LCL GLU 46 T -6.765 6.909 -13.05 -5.647 3 2747 364 1995 6967 Selective Selective 11919 1LCL GLU 47 T -6.808 6.716 -13.014 -5.618 3 2864 490 1983 7623 Selective Selective 11920 1LCL SER 48 T -7.428 6.429 -13.388 -5.487 3 2899 605 1992 8285 Selective Selective 11921 1LCL ASP 49 C -9.335 6.064 -16.231 -5.603 6 3027 727 2008 8966 Selective Selective 11922 1LCL ILE 50 E -11.039 9.159 -16.9 -5.601 6 3148 865 2051 9874 Selective Selective 11923 1LCL VAL 51 E -12.413 12.951 -16.371 -5.238 8 3206 973 2093 11007 Selective Selective 11924 1LCL PHE 52 E -13.535 19.55 -14.683 -5.08 8 3202 1083 2129 12152 Selective Selective 11925 1LCL HIS 53 E -13.687 20.547 -14.493 -5.195 8 2971 1083 2176 13277 Selective Selective 11926 1LCL PHE 54 E -13.891 21.312 -14.374 -5.282 8 2749 1096 2238 14437 Selective Selective 11927 1LCL GLN 55 E -12.389 14.784 -15.599 -5.654 8 2263 1072 2296 15363 Selective Selective 11928 1LCL VAL 56 E -11.483 13.759 -14.626 -5.166 8 1801 1027 2330 16070 Selective Selective 11929 1LCL CYS 57 E -11.43 13.782 -14.795 -5.218 8 1486 1011 2375 16589 Selective Selective 11930 1LCL PHE 58 T -11.42 13.821 -14.811 -5.22 8 1150 930 2394 16902 Selective Selective 11931 1LCL GLY 59 T -11.363 13.629 -15.012 -5.223 8 848 767 2416 17008 Selective Selective 11932 1LCL ARG 60 T -11.475 13.42 -14.901 -5.134 8 747 651 2434 16896 Selective Selective 11933 1LCL ARG 61 E -12.349 13.214 -16.768 -5.484 8 636 540 2437 16520 Selective Selective 11934 1LCL VAL 62 E -12.569 12.821 -16.955 -5.324 8 486 420 2415 15922 Selective Selective 11935 1LCL VAL 63 E -12.656 12.264 -17.098 -5.308 8 288 286 2374 15013 Inactive Selective 11936 1LCL MET 64 E -13.667 14.278 -17.546 -5.551 8 199 178 2345 13891 Inactive Selective 11937 1LCL ASN 65 E -13.6 13.991 -17.969 -5.659 8 147 70 2290 12643 Inactive Selective 11938 1LCL SER 66 E -11.646 9.381 -17.782 -5.892 8 141 64 2209 11319 Inactive Selective 11939 1LCL ARG 67 E -9.259 7.598 -14.925 -5.38 6 133 51 2114 9927 Inactive Selective 11940 1LCL GLU 68 E -6.233 8.926 -10.479 -5.528 3 128 51 2014 8633 Inactive Selective 11941 1LCL TYR 69 T -5.884 8.505 -10.566 -5.375 3 127 53 1910 7427 Inactive Selective 11942 1LCL GLY 70 T -5.852 8.424 -10.692 -5.37 3 113 66 1794 6339 Inactive Selective 11943 1LCL ALA 71 E -5.851 8.425 -10.698 -5.37 3 130 76 1701 5366 Inactive Selective 11944 1LCL TRP 72 E -5.852 8.429 -10.689 -5.371 3 153 88 1609 4474 Inactive Selective 11945 1LCL LYS 73 C -6.279 7.88 -11.008 -5.205 3 144 85 1541 3692 Inactive Permissive 11946 1LCL GLN 74 C -7.433 7.287 -13.216 -5.344 3 159 106 1483 3063 Inactive Inactive 11947 1LCL GLN 75 C -8.24 8.358 -14.317 -5.516 6 162 125 1445 2575 Inactive Inactive 11948 1LCL VAL 76 E -8.166 8.172 -14.323 -5.472 6 158 145 1417 2238 Inactive Inactive 11949 1LCL GLU 77 E -8.142 8.21 -14.327 -5.486 6 156 197 1413 2056 Inactive Inactive 11950 1LCL SER 78 E -8.472 8.306 -14.588 -5.407 6 148 237 1425 2079 Inactive Inactive 11951 1LCL LYS 79 C -8.694 8.456 -14.652 -5.425 6 153 265 1496 2257 Inactive Inactive 11952 1LCL ASN 80 C -8.854 8.461 -14.644 -5.425 6 153 278 1576 2529 Inactive Permissive 11953 1LCL MET 81 C -9.311 10.741 -14.246 -5.533 6 156 289 1643 2859 Inactive Permissive 11954 1LCL PRO 82 C -9.423 13.303 -12.576 -5.104 7 159 314 1715 3093 Inactive Permissive 11955 1LCL PHE 83 C -9.17 12.467 -12.781 -5.15 7 160 294 1766 3243 Inactive Permissive 11956 1LCL GLN 84 T -8.101 7.623 -14.059 -5.558 6 191 302 1777 3340 Inactive Permissive 11957 1LCL ASP 85 T -8.09 7.696 -14.07 -5.568 6 236 355 1776 3407 Inactive Permissive 11958 1LCL GLY 86 T -8.103 7.522 -14.123 -5.578 6 249 402 1757 3447 Gatekeeper Permissive 11959 1LCL GLN 87 T -8.142 7.131 -14.263 -5.613 6 266 421 1716 3483 Gatekeeper Permissive 11960 1LCL GLU 88 C -8.189 6.849 -14.316 -5.646 6 270 437 1666 3526 Gatekeeper Permissive 11961 1LCL PHE 89 E -10.31 12.29 -14.522 -5.909 8 282 464 1625 3614 Gatekeeper Permissive 11962 1LCL GLU 90 E -12.273 14.992 -16.393 -5.879 8 273 416 1564 3585 Gatekeeper Permissive 11963 1LCL LEU 91 E -12.325 16.455 -14.515 -4.946 8 281 386 1517 3435 Gatekeeper Inactive 11964 1LCL SER 92 E -11.806 15.41 -13.854 -4.618 7 293 365 1432 3186 Gatekeeper Inactive 11965 1LCL ILE 93 E -10.409 13.706 -11.817 -4.132 7 303 355 1375 2915 Inactive Inactive 11966 1LCL SER 94 E -9.116 9.84 -12.456 -4.341 5 313 346 1323 2594 Permissive Inactive 11967 1LCL VAL 95 E -7.34 10.433 -10.077 -4.619 4 324 338 1267 2396 Permissive Inactive 11968 1LCL LEU 96 T -7.324 10.505 -10.129 -4.636 4 335 347 1227 2273 Permissive Inactive 11969 1LCL PRO 97 T -7.324 10.509 -10.134 -4.638 4 322 354 1239 2188 Permissive Inactive 11970 1LCL ASP 98 T -7.327 10.494 -10.126 -4.641 4 277 294 1269 2234 Inactive Inactive 11971 1LCL LYS 99 E -7.353 10.546 -10.017 -4.653 4 261 244 1316 2430 Inactive Inactive 11972 1LCL TYR 100 E -9.449 13.242 -12.177 -5.299 7 305 301 1390 2782 Inactive Inactive 11973 1LCL GLN 101 E -11.224 14.607 -14.61 -5.984 8 298 283 1454 3104 Inactive Inactive 11974 1LCL VAL 102 E -10.647 10.408 -14.57 -4.871 6 286 250 1508 3284 Inactive Inactive 11975 1LCL MET 103 E -9.339 8.028 -14.725 -5.164 6 324 286 1549 3587 Permissive Permissive 11976 1LCL VAL 104 E -7.992 7.262 -13.165 -4.978 3 360 352 1578 3886 Permissive Selective 11977 1LCL ASN 105 T -7.914 7.044 -13.509 -5.039 3 416 423 1612 4167 Selective Selective 11978 1LCL GLY 106 T -7.912 7.054 -13.52 -5.042 3 448 506 1618 4376 Selective Selective 11979 1LCL GLN 107 E -7.916 7.032 -13.514 -5.045 3 459 531 1611 4520 Selective Selective 11980 1LCL SER 108 E -7.966 6.971 -13.406 -5.031 3 460 551 1586 4618 Selective Selective 11981 1LCL SER 109 E -9.119 5.877 -15.943 -5.491 6 451 589 1544 4669 Selective Selective 11982 1LCL TYR 110 E -10.775 12.551 -15.549 -5.683 8 434 631 1472 4733 Selective Gatekeeper 11983 1LCL THR 111 E -10.922 14.891 -14.579 -5.689 8 409 631 1394 4718 Selective Gatekeeper 11984 1LCL PHE 112 E -11.035 16.11 -14.037 -5.66 8 406 640 1319 4581 Selective Gatekeeper 11985 1LCL ASP 113 E -8.919 12.092 -11.773 -5.067 7 326 539 1237 4297 Selective Gatekeeper 11986 1LCL HIS 114 T -8.848 12.199 -11.793 -5.017 7 320 522 1168 4073 Selective Gatekeeper 11987 1LCL ARG 115 T -8.784 12.191 -11.875 -4.981 7 320 509 1115 3967 Selective Gatekeeper 11988 1LCL ILE 116 T -7.141 10.016 -9.238 -3.962 4 333 492 1083 3875 Selective Inactive 11989 1LCL LYS 117 T -6.762 10.342 -8.903 -3.882 4 320 417 1067 3866 Selective Inactive 11990 1LCL PRO 118 G -6.774 10.307 -8.849 -3.854 4 270 347 1075 4023 Inactive Gatekeeper 11991 1LCL GLU 119 G -6.776 10.297 -8.839 -3.851 4 229 261 1097 4407 Inactive Gatekeeper 11992 1LCL ALA 120 G -6.778 10.29 -8.826 -3.848 4 218 230 1142 5030 Inactive Gatekeeper 11993 1LCL VAL 121 C -7.198 10.719 -8.58 -3.8 4 207 191 1194 5762 Inactive Gatekeeper 11994 1LCL LYS 122 C -9.737 11.638 -12.133 -4.294 7 199 135 1266 6605 Inactive Gatekeeper 11995 1LCL MET 123 E -11.431 11.786 -15.213 -4.952 8 191 62 1328 7401 Inactive Gatekeeper 11996 1LCL VAL 124 E -12.622 13.586 -14.892 -4.393 8 189 55 1390 8200 Inactive Gatekeeper 11997 1LCL GLN 125 E -14.504 15.243 -18.966 -5.57 8 189 41 1430 8919 Inactive Gatekeeper 11998 1LCL VAL 126 E -12.768 17.335 -13.889 -4.96 8 192 41 1460 9395 Inactive Gatekeeper 11999 1LCL TRP 127 E -12.673 17.158 -14.213 -5.037 8 195 39 1493 9652 Inactive Gatekeeper 12000 1LCL ARG 128 E -12.391 16.973 -14.292 -5.048 8 185 34 1524 9787 Inactive Selective 12001 1LCL ASP 129 T -11.75 15.809 -14.014 -5.015 7 130 11 1558 9756 Inactive Selective 12002 1LCL ILE 130 E -11.587 15.769 -14.168 -5.1 8 - - - - - - 12003 1LCL SER 131 E -11.637 15.653 -14.304 -5.164 8 - - - - - - 12004 1LCL LEU 132 E -11.33 15.806 -14.19 -5.37 8 - - - - - - 12005 1LCL THR 133 E -10.545 15.405 -13.083 -5.407 7 - - - - - - 12006 1LCL LYS 134 E -10.54 15.37 -13.124 -5.421 7 - - - - - - 12007 1LCL PHE 135 E -10.562 15.363 -13.08 -5.431 7 - - - - - - 12008 1LCL ASN 136 E -10.362 13.811 -14.259 -5.702 8 - - - - - - 12009 1LCL VAL 137 E -9.488 10.007 -14.343 -5.321 6 - - - - - - 12010 1LCL SER 138 E -8.043 6.74 -12.965 -4.599 5 - - - - - - 12011 1LCL TYR 139 C -6.366 5.677 -10.146 -3.688 2 - - - - - - 12012 1LCL LEU 140 C -6.366 5.677 -10.146 -3.688 2 - - - - - - 12013 1LCL LYS 141 C -6.366 5.677 -10.146 -3.688 2 - - - - - - 12014 1LCL ARG 142 C -6.366 5.677 -10.146 -3.688 2 - - - - - - 12015 1LDS MET 0 C -5.031 5.934 -7.499 -3.166 1 - - - - - - 12016 1LDS ILE 1 C -5.031 5.934 -7.499 -3.166 1 - - - - - - 12017 1LDS GLN 2 C -5.031 5.934 -7.499 -3.166 1 - - - - - - 12018 1LDS ARG 3 B -5.031 5.934 -7.499 -3.166 1 - - - - - - 12019 1LDS THR 4 C -6.339 7.463 -9.666 -4.13 2 - - - - - - 12020 1LDS PRO 5 C -7.709 11.511 -10.213 -4.43 4 - - - - - - 12021 1LDS LYS 6 E -8.09 12.328 -9.989 -4.32 4 - - - - - - 12022 1LDS ILE 7 E -8.11 12.353 -9.854 -4.271 4 - - - - - - 12023 1LDS GLN 8 E -8.116 12.316 -9.817 -4.247 4 - - - - - - 12024 1LDS VAL 9 E -8.612 13.597 -9.372 -4.213 4 - - - - - - 12025 1LDS TYR 10 E -9.765 11.335 -16.365 -7.206 6 - - - - - - 12026 1LDS SER 11 E -6.846 7.859 -13.992 -7.213 6 - - - - - - 12027 1LDS ARG 12 E -5.558 5.933 -9.161 -3.873 2 723 1634 1252 849 Selective Permissive 12028 1LDS HIS 13 C -3.721 4.813 -6.982 -3.776 1 828 1914 1258 1015 Selective Permissive 12029 1LDS PRO 14 T -2.126 3.409 -5.913 -3.871 1 1029 2489 1269 1273 Selective Permissive 12030 1LDS ALA 15 T -1.394 1.806 -6.532 -4.037 1 1168 2593 1296 1638 Selective Permissive 12031 1LDS GLU 16 T -1.366 1.858 -6.641 -4.068 1 1295 2662 1308 2039 Selective Selective 12032 1LDS ASN 17 T -1.366 1.854 -6.639 -4.068 1 1381 2722 1321 2496 Selective Selective 12033 1LDS GLY 18 T -1.379 1.783 -6.608 -4.059 1 1377 2699 1327 2967 Selective Selective 12034 1LDS LYS 19 T -1.591 1.073 -6.581 -3.922 1 1364 2627 1335 3422 Selective Selective 12035 1LDS SER 20 T -3.297 2.634 -7.799 -4.027 2 1305 2503 1332 3822 Selective Selective 12036 1LDS ASN 21 C -6.664 5.539 -13.587 -5.893 3 1226 2382 1316 4203 Selective Selective 12037 1LDS PHE 22 E -8.292 10.547 -15.523 -8.225 6 1089 2121 1292 4523 Selective Selective 12038 1LDS LEU 23 E -11.681 14.993 -17.424 -7.858 8 956 1868 1276 4805 Selective Selective 12039 1LDS ASN 24 E -13.521 14.984 -17.152 -5.404 8 836 1694 1230 4989 Selective Gatekeeper 12040 1LDS CYS 25 E -11.775 11.312 -15.852 -5.119 8 767 1544 1174 5060 Selective Gatekeeper 12041 1LDS TYR 26 E -11.712 11.788 -15.675 -5.082 8 659 1251 1123 4970 Gatekeeper Gatekeeper 12042 1LDS VAL 27 E -11.48 12.912 -14.883 -4.929 8 447 663 1057 4772 Inactive Gatekeeper 12043 1LDS SER 28 E -11.297 13.12 -14.609 -4.845 7 302 515 991 4425 Inactive Gatekeeper 12044 1LDS GLY 29 E -11.071 13.521 -14.154 -4.753 7 158 389 942 4032 Inactive Gatekeeper 12045 1LDS PHE 30 E -10.455 13.562 -12.512 -4.417 7 57 265 914 3579 Inactive Gatekeeper 12046 1LDS HIS 31 B -7.361 11.41 -8.149 -3.823 4 47 219 899 3112 Inactive Gatekeeper 12047 1LDS PRO 32 T -6.764 10.403 -8.443 -3.879 4 73 250 901 2674 Inactive Gatekeeper 12048 1LDS SER 33 T -6.34 10.591 -8.074 -3.887 4 76 216 896 2266 Inactive Gatekeeper 12049 1LDS ASP 34 C -6.334 10.584 -8.115 -3.893 4 78 176 921 1887 Inactive Gatekeeper 12050 1LDS ILE 35 C -6.333 10.587 -8.117 -3.894 4 77 97 950 1562 Inactive Inactive 12051 1LDS GLU 36 E -6.448 10.414 -8.115 -3.91 4 82 88 986 1270 Inactive Inactive 12052 1LDS VAL 37 E -6.724 10.764 -7.819 -3.909 4 83 70 1030 1067 Inactive Inactive 12053 1LDS ASP 38 E -8.942 10.478 -11.888 -4.511 5 87 60 1072 919 Inactive Inactive 12054 1LDS LEU 39 E -10.069 14.019 -12.183 -4.831 7 96 58 1133 884 Inactive Inactive 12055 1LDS LEU 40 E -7.634 8.091 -12.013 -5.088 3 102 57 1188 849 Inactive Inactive 12056 1LDS LYS 41 E -7.528 7.803 -12.366 -5.106 3 139 57 1217 823 Inactive Inactive 12057 1LDS ASN 42 T -7.522 7.795 -12.394 -5.103 3 151 57 1240 803 Inactive Inactive 12058 1LDS GLY 43 T -7.368 7.466 -12.39 -4.897 3 148 56 1249 786 Inactive Permissive 12059 1LDS GLU 44 E -7.31 7.316 -12.469 -4.831 3 148 47 1250 774 Inactive Permissive 12060 1LDS ARG 45 E -7.416 7.362 -12.028 -4.349 5 112 4 1235 736 Inactive Inactive 12061 1LDS ILE 46 T -6.708 7.828 -10.445 -4.306 4 107 2 1232 728 Inactive Inactive 12062 1LDS GLU 47 T -6.512 7.462 -10.662 -4.325 3 107 2 1218 714 Inactive Inactive 12063 1LDS LYS 48 T -6.445 7.685 -10.517 -4.303 3 106 2 1186 686 Inactive Inactive 12064 1LDS VAL 49 T -6.426 7.778 -10.5 -4.308 3 104 2 1155 652 Inactive Inactive 12065 1LDS GLU 50 C -6.417 7.809 -10.544 -4.354 3 120 3 1118 588 Inactive Inactive 12066 1LDS HIS 51 E -6.76 7.716 -11.016 -4.358 3 190 34 1098 554 Inactive Inactive 12067 1LDS SER 52 E -7.025 8.657 -10.814 -4.282 4 282 86 1083 509 Inactive Inactive 12068 1LDS ASP 53 E -7.31 8.692 -11.247 -4.355 5 406 159 1076 525 Inactive Inactive 12069 1LDS LEU 54 E -7.163 8.698 -10.773 -4.165 4 678 567 1101 667 Inactive Inactive 12070 1LDS SER 55 E -6.812 7.266 -10.711 -4.028 3 1368 1496 1137 833 Selective Inactive 12071 1LDS PHE 56 E -5.427 7.632 -8.391 -4.181 2 1998 2248 1157 994 Selective Inactive 12072 1LDS SER 57 T -5.354 7.519 -8.582 -4.189 2 2738 2843 1179 1154 Selective Inactive 12073 1LDS LYS 58 T -5.352 7.541 -8.585 -4.192 2 3544 3712 1193 1304 Selective Inactive 12074 1LDS ASP 59 T -5.363 7.517 -8.555 -4.198 2 4337 4510 1194 1474 Selective Inactive 12075 1LDS TRP 60 T -5.398 7.579 -8.418 -4.203 2 5088 5912 1206 1689 Selective Inactive 12076 1LDS SER 61 T -6.571 6.989 -10.065 -4.239 2 5633 6875 1233 1925 Selective Gatekeeper 12077 1LDS PHE 62 E -8.475 11.883 -10.381 -4.672 4 6330 7862 1254 2232 Selective Selective 12078 1LDS TYR 63 E -12.656 17.463 -15.014 -6.012 8 6633 8315 1297 2547 Selective Selective 12079 1LDS LEU 64 E -14.844 20.361 -16.631 -5.986 8 6751 8533 1325 2752 Selective Selective 12080 1LDS LEU 65 E -14.94 19.133 -16.853 -5.672 8 6830 8657 1355 2848 Selective Selective 12081 1LDS TYR 66 E -14.744 20.18 -16.393 -5.815 8 6799 8716 1376 2844 Selective Selective 12082 1LDS TYR 67 E -10.066 16.663 -10.325 -4.976 7 6501 8324 1385 2762 Selective Selective 12083 1LDS THR 68 E -7.564 13.824 -7.819 -4.342 4 5811 7419 1377 2679 Selective Selective 12084 1LDS GLU 69 E -6.98 12.659 -8.184 -4.333 4 5203 6707 1384 2654 Selective Selective 12085 1LDS PHE 70 C -6.029 10.866 -7.783 -4.2 4 4480 6156 1376 2659 Selective Selective 12086 1LDS THR 71 C -3.42 4.93 -6.042 -3.457 1 3733 5320 1377 2662 Selective Selective 12087 1LDS PRO 72 C -3.282 5.115 -6.291 -3.571 1 2983 4535 1376 2623 Selective Selective 12088 1LDS THR 73 T -3.27 5.104 -6.372 -3.592 1 2254 3133 1372 2520 Selective Selective 12089 1LDS GLU 74 T -3.271 5.096 -6.37 -3.591 1 1725 2170 1372 2395 Selective Selective 12090 1LDS LYS 75 T -3.276 5.054 -6.359 -3.586 1 1041 1183 1372 2201 Selective Selective 12091 1LDS ASP 76 T -4.159 5.702 -7.484 -4.038 2 722 729 1368 1995 Permissive Selective 12092 1LDS GLU 77 C -5.572 4.831 -10.205 -4.552 2 534 481 1381 1875 Inactive Selective 12093 1LDS TYR 78 E -9.465 10.913 -13.506 -5.513 6 356 312 1350 1855 Inactive Permissive 12094 1LDS ALA 79 E -11.576 14.635 -15.951 -6.302 8 258 184 1354 1862 Inactive Permissive 12095 1LDS CYS 80 E -12.625 15.607 -18.04 -7.259 8 248 172 1338 1816 Inactive Permissive 12096 1LDS ARG 81 E -12.672 13.096 -15.835 -4.653 8 239 150 1316 1723 Inactive Permissive 12097 1LDS VAL 82 E -9.672 11.738 -11.842 -4.509 7 216 110 1302 1576 Inactive Permissive 12098 1LDS ASN 83 E -8.981 11.616 -11.757 -4.722 5 204 72 1284 1383 Inactive Permissive 12099 1LDS HIS 84 E -7.246 10.335 -9.355 -4.269 4 - - - - - - 12100 1LDS VAL 85 T -5.938 8.331 -8.609 -4.044 2 - - - - - - 12101 1LDS THR 86 T -5.736 8.23 -8.671 -3.989 2 - - - - - - 12102 1LDS LEU 87 E -5.725 8.205 -8.716 -3.982 2 - - - - - - 12103 1LDS SER 88 E -5.461 8.13 -8.426 -3.842 2 - - - - - - 12104 1LDS GLN 89 E -5.489 8.027 -8.389 -3.823 2 - - - - - - 12105 1LDS PRO 90 E -5.806 8.032 -8.308 -3.697 2 - - - - - - 12106 1LDS LYS 91 E -6.018 8.248 -8.093 -3.662 2 - - - - - - 12107 1LDS ILE 92 E -5.36 10.429 -6.327 -3.643 2 - - - - - - 12108 1LDS VAL 93 E -5.14 10.27 -5.76 -3.324 1 - - - - - - 12109 1LDS LYS 94 E -5.14 10.27 -5.76 -3.324 1 - - - - - - 12110 1LDS TRP 95 C -5.14 10.27 -5.76 -3.324 1 - - - - - - 12111 1LDS ASP 96 C -5.14 10.27 -5.76 -3.324 1 - - - - - - 12112 1LN1 PHE 8 C -10.805 8.202 -15.168 -4.408 6 - - - - - - 12113 1LN1 SER 9 C -10.805 8.202 -15.168 -4.408 6 - - - - - - 12114 1LN1 GLU 10 H -10.805 8.202 -15.168 -4.408 6 - - - - - - 12115 1LN1 GLU 11 H -10.805 8.202 -15.168 -4.408 6 - - - - - - 12116 1LN1 GLN 12 H -12.521 9.614 -17.96 -5.421 8 - - - - - - 12117 1LN1 PHE 13 H -13.369 15.318 -15.851 -5.029 8 - - - - - - 12118 1LN1 TRP 14 H -10.968 10.005 -14.442 -4.501 6 - - - - - - 12119 1LN1 GLU 15 H -10.581 9.133 -15.033 -4.593 6 - - - - - - 12120 1LN1 ALA 16 H -10.514 9.478 -15.011 -4.616 6 - - - - - - 12121 1LN1 CYS 17 H -10.297 9.793 -14.957 -4.739 6 - - - - - - 12122 1LN1 ALA 18 H -9.771 9.846 -14.215 -4.733 6 - - - - - - 12123 1LN1 GLU 19 H -9.364 10.425 -13.231 -4.674 5 - - - - - - 12124 1LN1 LEU 20 H -7.983 8.451 -11.103 -4.019 5 767 1516 1120 804 Gatekeeper Inactive 12125 1LN1 GLN 21 H -7.5 8.145 -11.227 -4.119 5 765 1714 1132 633 Gatekeeper Inactive 12126 1LN1 GLN 22 C -6.61 7.246 -9.516 -3.483 2 738 2055 1162 527 Gatekeeper Inactive 12127 1LN1 PRO 23 C -4.816 5.94 -7.331 -3.401 2 694 2397 1184 454 Gatekeeper Inactive 12128 1LN1 ALA 24 C -4.078 5.563 -6.882 -3.371 1 674 2379 1214 403 Gatekeeper Inactive 12129 1LN1 LEU 25 T -3.479 5.723 -6.533 -3.603 1 631 2314 1245 357 Gatekeeper Inactive 12130 1LN1 ALA 26 T -3.452 5.89 -6.579 -3.646 1 649 2280 1297 353 Gatekeeper Inactive 12131 1LN1 GLY 27 T -3.453 5.898 -6.577 -3.649 1 678 2244 1367 358 Gatekeeper Inactive 12132 1LN1 ALA 28 T -3.512 5.899 -6.506 -3.674 1 696 2149 1405 346 Gatekeeper Inactive 12133 1LN1 ASP 29 C -3.702 6.077 -6.424 -3.789 1 692 1937 1431 343 Gatekeeper Inactive 12134 1LN1 TRP 30 C -5.258 9.542 -7.69 -4.542 2 734 1765 1464 350 Gatekeeper Inactive 12135 1LN1 GLN 31 E -6.761 10.693 -9.228 -4.517 4 754 1621 1502 372 Gatekeeper Inactive 12136 1LN1 LEU 32 E -7.097 13.224 -8.238 -4.282 4 773 1557 1533 396 Gatekeeper Permissive 12137 1LN1 LEU 33 E -7.124 13.113 -8.191 -4.235 4 763 1493 1555 424 Gatekeeper Permissive 12138 1LN1 VAL 34 E -6.29 9.129 -8.87 -4.102 4 710 1286 1538 444 Gatekeeper Permissive 12139 1LN1 GLU 35 E -5.137 9.182 -7.325 -4.204 2 635 980 1528 464 Inactive Permissive 12140 1LN1 THR 36 E -5.139 9.152 -7.327 -4.202 2 580 640 1515 500 Inactive Permissive 12141 1LN1 SER 37 T -5.152 9.056 -7.325 -4.205 2 598 628 1511 538 Inactive Inactive 12142 1LN1 GLY 38 T -5.153 9.052 -7.321 -4.205 2 720 726 1525 584 Inactive Permissive 12143 1LN1 ILE 39 E -5.223 9.197 -7.098 -4.222 2 735 737 1531 639 Inactive Permissive 12144 1LN1 SER 40 E -8.099 9.914 -10.987 -4.48 5 732 774 1550 700 Inactive Permissive 12145 1LN1 ILE 41 E -10.204 13.763 -11.431 -4.108 7 771 828 1612 844 Inactive Permissive 12146 1LN1 TYR 42 E -10.783 17.743 -11.2 -4.999 7 876 924 1661 1009 Inactive Permissive 12147 1LN1 ARG 43 E -9.326 13.5 -13.163 -6.186 7 854 865 1710 1169 Inactive Permissive 12148 1LN1 LEU 44 E -4.996 6.928 -7.173 -3.615 2 839 835 1743 1292 Inactive Permissive 12149 1LN1 LEU 45 E -2.826 4.083 -5.866 -3.523 1 847 769 1764 1475 Inactive Permissive 12150 1LN1 ASP 46 E -1.43 2.74 -5.856 -4.09 1 861 652 1778 1607 Inactive Permissive 12151 1LN1 LYS 47 T -1.373 3.001 -5.929 -4.127 1 884 605 1789 1717 Inactive Permissive 12152 1LN1 LYS 48 T -1.372 3.003 -5.93 -4.128 1 896 579 1774 1784 Inactive Permissive 12153 1LN1 THR 49 T -1.374 2.991 -5.924 -4.127 1 876 546 1758 1798 Inactive Permissive 12154 1LN1 GLY 50 T -1.436 2.828 -5.829 -4.12 1 841 528 1725 1778 Inactive Permissive 12155 1LN1 LEU 51 E -2.879 5.105 -5.681 -3.817 1 774 497 1663 1729 Inactive Permissive 12156 1LN1 TYR 52 E -6.24 10.358 -8.324 -4.588 4 785 531 1601 1654 Inactive Permissive 12157 1LN1 GLU 53 E -8.262 15.695 -12.742 -8.007 7 762 535 1527 1574 Inactive Permissive 12158 1LN1 TYR 54 E -11.078 18.308 -15.892 -8.787 8 721 577 1422 1421 Inactive Inactive 12159 1LN1 LYS 55 E -11.973 15.488 -13.354 -4.75 7 601 528 1319 1238 Inactive Inactive 12160 1LN1 VAL 56 E -11.685 15.678 -13.144 -4.601 7 594 635 1200 1053 Inactive Inactive 12161 1LN1 PHE 57 E -10.624 14.788 -12.023 -4.611 7 586 769 1075 886 Inactive Inactive 12162 1LN1 GLY 58 E -8.176 10.122 -10.818 -4.539 5 534 783 953 664 Inactive Inactive 12163 1LN1 VAL 59 E -8.007 10.159 -11.075 -4.59 5 497 817 849 487 Inactive Inactive 12164 1LN1 LEU 60 E -7.911 10.292 -11.224 -4.658 5 475 900 779 352 Inactive Inactive 12165 1LN1 GLU 61 T -7.688 10.203 -11.443 -4.783 5 530 1037 740 283 Gatekeeper Inactive 12166 1LN1 ASP 62 T -7.666 10.084 -11.529 -4.769 5 553 1134 732 314 Gatekeeper Inactive 12167 1LN1 CYS 63 T -7.89 9.912 -12.04 -4.81 5 592 1192 737 435 Gatekeeper Inactive 12168 1LN1 SER 64 C -7.992 9.952 -12.021 -4.779 5 624 1165 757 688 Gatekeeper Inactive 12169 1LN1 PRO 65 H -8.088 9.835 -11.976 -4.708 5 591 1128 801 1085 Gatekeeper Inactive 12170 1LN1 THR 66 H -8.638 9.636 -12.099 -4.17 5 670 1068 864 1674 Gatekeeper Inactive 12171 1LN1 LEU 67 H -8.787 10.104 -11.703 -4.094 5 739 972 952 2495 Inactive Gatekeeper 12172 1LN1 LEU 68 H -9.436 12.782 -11.144 -4.104 7 831 919 1053 3546 Inactive Gatekeeper 12173 1LN1 ALA 69 H -10.023 13.734 -11.597 -4.361 7 1002 806 1172 4713 Inactive Gatekeeper 12174 1LN1 ASP 70 H -10.686 12.54 -13.412 -4.862 7 1142 671 1302 6003 Permissive Gatekeeper 12175 1LN1 ILE 71 H -12.859 15.357 -14.307 -4.583 7 1439 632 1447 7400 Permissive Gatekeeper 12176 1LN1 TYR 72 H -14.534 16.793 -17.373 -5.423 8 1895 598 1593 8825 Permissive Selective 12177 1LN1 MET 73 H -14.612 12.231 -20.738 -6.038 8 2262 508 1692 10128 Permissive Selective 12178 1LN1 ASP 74 C -14.63 11.763 -21.035 -6.075 8 2449 360 1751 11259 Permissive Selective 12179 1LN1 SER 75 H -14.667 11.544 -21.109 -6.069 8 2671 256 1766 12212 Permissive Selective 12180 1LN1 ASP 76 H -14.077 12.307 -19.748 -5.851 8 2888 189 1771 12989 Permissive Selective 12181 1LN1 TYR 77 H -14.093 12.381 -19.643 -5.828 8 3108 152 1771 13499 Permissive Selective 12182 1LN1 ARG 78 H -14.148 13.403 -19.009 -5.724 8 3228 90 1740 13779 Permissive Selective 12183 1LN1 LYS 79 H -12.751 12.332 -17.005 -5.494 8 3306 90 1719 13811 Permissive Selective 12184 1LN1 GLN 80 H -12.537 13.115 -16.682 -5.476 8 3436 90 1694 13564 Permissive Selective 12185 1LN1 TRP 81 H -12.313 14.512 -15.874 -5.459 8 3610 156 1682 13019 Permissive Selective 12186 1LN1 ASP 82 T -11.687 13.665 -15.314 -5.375 8 3740 239 1661 12279 Permissive Selective 12187 1LN1 GLN 83 T -11.296 13.769 -14.851 -5.358 8 3949 460 1647 11341 Permissive Selective 12188 1LN1 TYR 84 T -10.95 15.816 -13.382 -5.405 7 4088 702 1617 10210 Permissive Selective 12189 1LN1 VAL 85 E -10.438 15.664 -12.678 -5.335 7 4085 765 1582 9052 Permissive Selective 12190 1LN1 LYS 86 E -10.194 15.379 -13.129 -5.646 7 4146 864 1560 7924 Permissive Selective 12191 1LN1 GLU 87 E -10.222 15.489 -13.05 -5.665 7 4326 1037 1558 6849 Selective Selective 12192 1LN1 LEU 88 E -10.264 15.587 -12.992 -5.697 7 4497 1351 1560 5923 Selective Selective 12193 1LN1 TYR 89 E -10.349 15.086 -13.334 -5.78 7 4835 2025 1583 5161 Selective Selective 12194 1LN1 GLU 90 E -9.607 7.211 -16.074 -5.703 6 5050 2508 1601 4611 Selective Selective 12195 1LN1 GLN 91 E -7.128 3.482 -14.238 -5.386 3 5295 2973 1637 4180 Selective Selective 12196 1LN1 GLU 92 E -4.854 2.863 -10.746 -4.802 3 5432 3170 1644 3792 Selective Selective 12197 1LN1 CYS 93 E -4.686 3.134 -10.815 -4.825 3 5445 3461 1634 3436 Selective Selective 12198 1LN1 ASN 94 T -4.683 3.154 -10.822 -4.825 3 5271 3617 1611 3110 Selective Selective 12199 1LN1 GLY 95 T -4.683 3.154 -10.822 -4.824 3 5028 3661 1577 2834 Selective Selective 12200 1LN1 GLU 96 E -4.693 3.149 -10.767 -4.815 3 4727 3709 1514 2608 Selective Selective 12201 1LN1 THR 97 E -5.503 4.025 -11.048 -4.891 3 4331 3642 1446 2445 Selective Gatekeeper 12202 1LN1 VAL 98 E -7.77 6.842 -12.253 -4.691 5 3907 3784 1370 2278 Selective Gatekeeper 12203 1LN1 VAL 99 E -9.932 9.924 -13.273 -4.591 5 3498 3977 1290 2189 Selective Inactive 12204 1LN1 TYR 100 E -14.577 16.899 -17.284 -5.48 8 3098 4103 1219 2250 Selective Gatekeeper 12205 1LN1 TRP 101 E -15.512 19.542 -18.007 -5.861 8 2668 3995 1175 2282 Selective Gatekeeper 12206 1LN1 GLU 102 E -12.948 15.427 -15.129 -5.27 8 2069 3392 1119 2271 Selective Gatekeeper 12207 1LN1 VAL 103 E -9.536 14.006 -10.105 -4.259 7 1544 2992 1088 2203 Selective Inactive 12208 1LN1 LYS 104 C -7.831 11.963 -8.935 -4.094 4 1142 2727 1064 2158 Selective Inactive 12209 1LN1 TYR 105 C -7.41 12.127 -8.792 -4.104 4 889 2912 1062 2209 Gatekeeper Gatekeeper 12210 1LN1 PRO 106 T -6.584 9.577 -9.067 -4.031 4 755 3058 1068 2417 Gatekeeper Gatekeeper 12211 1LN1 PHE 107 T -6.576 9.549 -9.122 -4.037 4 781 2994 1090 2805 Gatekeeper Gatekeeper 12212 1LN1 PRO 108 T -6.58 9.519 -9.116 -4.036 4 1057 3047 1137 3350 Gatekeeper Gatekeeper 12213 1LN1 MET 109 T -6.652 9.22 -9.148 -4.03 4 1743 2858 1224 4113 Selective Gatekeeper 12214 1LN1 SER 110 T -6.742 8.715 -9.23 -4.016 4 2436 2765 1332 4979 Selective Gatekeeper 12215 1LN1 ASN 111 C -9.155 7.464 -13.403 -4.506 5 2994 2576 1457 5922 Selective Gatekeeper 12216 1LN1 ARG 112 E -13.535 11.964 -17.565 -5.189 8 3504 2286 1604 7049 Selective Selective 12217 1LN1 ASP 113 E -16.256 13.77 -21.379 -5.743 8 3962 1988 1743 8021 Selective Selective 12218 1LN1 TYR 114 E -17.12 19.575 -19.202 -5.493 8 4672 1808 1873 8883 Selective Selective 12219 1LN1 VAL 115 E -17.141 19.91 -18.969 -5.475 8 5029 1750 1993 9631 Selective Selective 12220 1LN1 TYR 116 E -17.22 20.438 -18.44 -5.402 8 5394 1661 2096 10228 Selective Selective 12221 1LN1 LEU 117 E -17.254 20.413 -18.347 -5.391 8 5524 1459 2176 10650 Selective Selective 12222 1LN1 ARG 118 E -17.817 14.96 -23.368 -6.306 8 5577 1077 2227 10876 Selective Selective 12223 1LN1 GLN 119 E -15.322 12.296 -20.055 -5.45 8 5510 638 2290 10877 Permissive Selective 12224 1LN1 ARG 120 E -13.295 10.708 -17.955 -5.127 8 5407 480 2326 10692 Permissive Selective 12225 1LN1 ARG 121 E -11.99 11.38 -16.846 -5.547 8 5079 293 2338 10322 Permissive Selective 12226 1LN1 ASP 122 E -9.404 9.282 -13.666 -5.159 6 4403 216 2311 9669 Permissive Selective 12227 1LN1 LEU 123 E -7.536 7.958 -11.75 -4.968 3 3718 129 2285 8960 Permissive Selective 12228 1LN1 ASP 124 T -6.76 6.724 -11.92 -5.096 3 3216 110 2235 8211 Permissive Selective 12229 1LN1 MET 125 T -6.611 6.595 -12.074 -5.074 3 2750 113 2173 7204 Permissive Selective 12230 1LN1 GLU 126 T -6.579 6.59 -12.148 -5.064 3 2296 119 2132 6279 Permissive Selective 12231 1LN1 GLY 127 T -6.584 6.568 -12.136 -5.063 3 1660 105 2094 5411 Permissive Selective 12232 1LN1 ARG 128 T -6.71 6.252 -12.248 -5.088 3 1439 91 2057 4649 Permissive Selective 12233 1LN1 LYS 129 C -7.366 6.237 -12.784 -4.972 3 1149 100 2007 4042 Permissive Selective 12234 1LN1 ILE 130 E -8.311 6.604 -13.452 -4.866 3 1092 127 1977 3577 Permissive Selective 12235 1LN1 HIS 131 E -10.79 14.326 -12.404 -4.169 7 1016 127 1928 3203 Inactive Selective 12236 1LN1 VAL 132 E -10.832 15.365 -11.54 -3.937 7 1030 146 1880 2912 Inactive Selective 12237 1LN1 ILE 133 E -10.829 15.369 -11.53 -3.927 7 1009 150 1840 2630 Inactive Selective 12238 1LN1 LEU 134 E -11.298 16.371 -11.979 -4.04 7 974 153 1783 2386 Inactive Selective 12239 1LN1 ALA 135 E -10.661 11.654 -13.089 -3.93 7 898 150 1726 2204 Inactive Permissive 12240 1LN1 ARG 136 E -10.574 10.899 -13.744 -4.142 7 837 171 1639 1977 Inactive Permissive 12241 1LN1 SER 137 E -8.454 8.408 -11.859 -4.312 5 730 179 1544 1703 Inactive Permissive 12242 1LN1 THR 138 C -6.711 6.378 -10.479 -4.136 2 644 209 1446 1498 Inactive Inactive 12243 1LN1 SER 139 C -6.615 6.414 -10.628 -4.129 2 566 224 1332 1294 Inactive Inactive 12244 1LN1 MET 140 B -6.45 6.325 -10.936 -4.249 3 475 274 1220 1157 Inactive Inactive 12245 1LN1 PRO 141 T -6.108 6.092 -11.239 -4.526 3 332 330 1145 1046 Inactive Inactive 12246 1LN1 GLN 142 T -6.119 6.05 -11.23 -4.53 3 236 311 1111 978 Inactive Inactive 12247 1LN1 LEU 143 B -6.37 5.939 -11.683 -4.744 3 140 325 1086 948 Inactive Inactive 12248 1LN1 GLY 144 T -5.649 4.12 -11.257 -4.534 3 115 361 1092 1010 Inactive Inactive 12249 1LN1 GLU 145 C -5.445 4.657 -10.72 -4.388 2 83 351 1079 1141 Inactive Inactive 12250 1LN1 ARG 146 T -5.52 4.531 -10.587 -4.297 2 97 355 1069 1385 Inactive Inactive 12251 1LN1 SER 147 T -5.52 4.534 -10.589 -4.297 2 110 356 1073 1694 Inactive Inactive 12252 1LN1 GLY 148 T -5.52 4.532 -10.585 -4.296 2 143 358 1092 2064 Inactive Inactive 12253 1LN1 VAL 149 T -6.049 6.038 -9.852 -4.102 2 212 328 1147 2490 Inactive Gatekeeper 12254 1LN1 ILE 150 E -7.644 6.945 -11.324 -3.976 5 227 297 1222 3016 Inactive Gatekeeper 12255 1LN1 ARG 151 E -9.622 8.902 -13.218 -4.379 5 237 254 1304 3598 Inactive Gatekeeper 12256 1LN1 VAL 152 E -11.414 12.352 -15.248 -4.943 8 251 226 1386 4245 Inactive Gatekeeper 12257 1LN1 LYS 153 T -11.794 13.165 -15.733 -5.31 8 328 170 1464 4743 Inactive Gatekeeper 12258 1LN1 GLN 154 E -11.962 13.408 -15.615 -5.411 8 433 132 1524 5067 Inactive Selective 12259 1LN1 TYR 155 E -12.111 14.203 -15.154 -5.509 8 528 140 1557 5233 Inactive Selective 12260 1LN1 LYS 156 E -12.113 14.18 -15.135 -5.49 8 785 151 1562 5270 Inactive Selective 12261 1LN1 GLN 157 E -13.572 14.377 -17.478 -5.362 8 1056 207 1567 5178 Inactive Selective 12262 1LN1 SER 158 E -12.761 15.422 -14.343 -4.562 7 1417 348 1574 4950 Permissive Selective 12263 1LN1 LEU 159 E -11.904 15.069 -13.269 -4.345 7 1769 515 1546 4645 Permissive Selective 12264 1LN1 ALA 160 E -11.601 13.973 -13.953 -4.482 7 2134 714 1531 4299 Permissive Selective 12265 1LN1 ILE 161 E -9.958 10.101 -14.368 -5.224 6 2521 844 1511 3932 Permissive Gatekeeper 12266 1LN1 GLU 162 E -7.88 6.734 -12.92 -5.022 3 3157 1257 1491 3571 Selective Gatekeeper 12267 1LN1 SER 163 E -5.381 4.439 -9.921 -4.325 2 4117 2118 1478 3159 Selective Gatekeeper 12268 1LN1 ASP 164 T -3.902 4.023 -8.871 -4.683 2 5287 3514 1466 2775 Selective Gatekeeper 12269 1LN1 GLY 165 T -3.869 4.052 -8.964 -4.682 2 6193 4665 1456 2324 Selective Gatekeeper 12270 1LN1 LYS 166 T -3.869 4.053 -8.965 -4.682 2 6822 5363 1475 2049 Selective Inactive 12271 1LN1 LYS 167 T -3.87 4.05 -8.96 -4.682 2 7182 6183 1492 1940 Selective Inactive 12272 1LN1 GLY 168 C -3.917 4.02 -8.882 -4.712 2 7648 7381 1508 1917 Selective Inactive 12273 1LN1 SER 169 E -5.596 4.574 -10.578 -4.659 3 8181 8872 1535 1995 Selective Permissive 12274 1LN1 LYS 170 E -8.679 7.632 -13.488 -4.925 5 8658 10394 1562 2095 Selective Permissive 12275 1LN1 VAL 171 E -10.922 10.254 -14.219 -4.394 6 8967 12000 1593 2288 Selective Selective 12276 1LN1 PHE 172 E -12.819 14.875 -14.485 -4.614 7 9361 14093 1629 2441 Selective Selective 12277 1LN1 MET 173 E -14.653 17.695 -15.931 -4.973 8 9579 15427 1653 2538 Selective Selective 12278 1LN1 TYR 174 E -16.01 20.137 -17.051 -5.396 8 9551 16942 1678 2582 Selective Selective 12279 1LN1 TYR 175 E -15.265 17.596 -17.305 -5.43 8 9101 17789 1654 2542 Selective Selective 12280 1LN1 PHE 176 E -11.59 13.82 -14.473 -5.36 8 8364 18268 1624 2454 Selective Selective 12281 1LN1 ASP 177 E -8.391 8.568 -12.621 -5.027 5 7384 18189 1599 2274 Selective Selective 12282 1LN1 ASN 178 E -6.45 6.366 -10.584 -4.505 3 6667 18563 1575 2096 Selective Permissive 12283 1LN1 PRO 179 C -5.024 6.581 -8.057 -3.96 2 6137 19166 1504 1859 Selective Inactive 12284 1LN1 GLY 180 C -4.119 6.147 -7.17 -3.812 2 5739 18875 1423 1598 Selective Inactive 12285 1LN1 GLY 181 C -4.078 6.189 -7.24 -3.794 2 5195 17829 1337 1364 Selective Inactive 12286 1LN1 GLN 182 C -4.074 6.219 -7.238 -3.789 2 4404 16379 1254 1109 Selective Inactive 12287 1LN1 ILE 183 C -4.083 6.236 -7.179 -3.775 2 3705 15162 1163 898 Selective Inactive 12288 1LN1 PRO 184 C -4.205 6.15 -7.033 -3.744 2 3046 13700 1054 667 Selective Inactive 12289 1LN1 SER 185 H -5.605 7.363 -8.1 -3.5 2 2391 12061 968 475 Selective Inactive 12290 1LN1 TRP 186 H -6.768 10.924 -7.356 -3.248 4 1993 11370 880 333 Selective Inactive 12291 1LN1 LEU 187 H -7.602 13.363 -7.083 -3.386 4 1636 10166 823 234 Selective Inactive 12292 1LN1 ILE 188 H -9.135 13.46 -10.707 -4.146 7 1413 9312 800 177 Selective Inactive 12293 1LN1 ASN 189 H -9.235 12.592 -11.512 -4.31 7 1197 8227 777 131 Selective Inactive 12294 1LN1 TRP 190 H -9.789 11.102 -12.255 -3.842 5 1037 7165 721 95 Gatekeeper Inactive 12295 1LN1 ALA 191 H -8.979 8.057 -13.039 -4.091 5 871 5878 689 77 Gatekeeper Inactive 12296 1LN1 ALA 192 H -8.134 7.692 -11.776 -3.925 5 721 4670 673 77 Gatekeeper Inactive 12297 1LN1 LYS 193 H -8.063 7.657 -11.896 -3.929 5 678 4199 668 94 Gatekeeper Inactive 12298 1LN1 ASN 194 H -7.971 7.695 -11.954 -3.973 5 696 4089 688 134 Gatekeeper Inactive 12299 1LN1 GLY 195 H -7.972 7.696 -11.951 -3.974 5 724 4086 707 183 Gatekeeper Inactive 12300 1LN1 VAL 196 H -8.06 7.782 -11.736 -3.939 5 694 3736 727 228 Gatekeeper Inactive 12301 1LN1 PRO 197 H -8.728 8.096 -12.478 -4.074 5 696 3511 759 263 Gatekeeper Inactive 12302 1LN1 ASN 198 H -8.991 8.405 -12.287 -4.142 5 - - - - - - 12303 1LN1 PHE 199 H -11.309 12.928 -14.202 -4.522 7 - - - - - - 12304 1LN1 LEU 200 H -11.186 13.182 -14.067 -4.727 7 - - - - - - 12305 1LN1 LYS 201 H -11.058 12.097 -14.652 -4.731 7 - - - - - - 12306 1LN1 ASP 202 H -11.097 11.89 -14.732 -4.743 7 - - - - - - 12307 1LN1 MET 203 H -11.154 11.817 -14.659 -4.729 7 - - - - - - 12308 1LN1 ALA 204 H -11.139 11.611 -14.882 -4.801 7 - - - - - - 12309 1LN1 ARG 205 H -11.221 9.753 -16.595 -5.249 6 - - - - - - 12310 1LN1 ALA 206 H -10.799 9.647 -16.329 -5.465 6 - - - - - - 12311 1LN1 CYS 207 H -8.518 6.891 -12.942 -4.482 5 - - - - - - 12312 1LN1 GLN 208 H -8.518 6.891 -12.942 -4.482 5 - - - - - - 12313 1LN1 ASN 209 H -8.518 6.891 -12.942 -4.482 5 - - - - - - 12314 1LN1 TYR 210 C -8.518 6.891 -12.942 -4.482 5 - - - - - - 12315 1LPJ PRO 1 C -7.642 8.442 -10.063 -3.515 4 - - - - - - 12316 1LPJ ALA 2 C -7.642 8.442 -10.063 -3.515 4 - - - - - - 12317 1LPJ ASP 3 C -7.642 8.442 -10.063 -3.515 4 - - - - - - 12318 1LPJ LEU 4 C -7.642 8.442 -10.063 -3.515 4 - - - - - - 12319 1LPJ SER 5 C -9.594 10.036 -13.303 -4.545 5 - - - - - - 12320 1LPJ GLY 6 E -10.556 11.992 -15.056 -5.474 8 - - - - - - 12321 1LPJ THR 7 E -10.896 15.772 -13.64 -5.452 8 - - - - - - 12322 1LPJ TRP 8 E -10.9 15.94 -13.442 -5.37 7 - - - - - - 12323 1LPJ THR 9 E -10.076 11.656 -14.032 -5.078 6 - - - - - - 12324 1LPJ LEU 10 E -9.735 10.149 -14.479 -5.008 6 - - - - - - 12325 1LPJ LEU 11 E -9.571 8.512 -15.255 -5.011 6 - - - - - - 12326 1LPJ SER 12 E -9.582 8.167 -15.413 -5.007 6 - - - - - - 12327 1LPJ SER 13 T -9.553 8.208 -15.495 -5.048 6 383 227 1558 2797 Inactive Selective 12328 1LPJ ASP 14 T -9.577 8.048 -15.955 -5.312 6 342 123 1623 2875 Inactive Selective 12329 1LPJ ASN 15 T -9.831 7.873 -16.422 -5.512 6 313 144 1663 2925 Inactive Selective 12330 1LPJ PHE 16 H -10.182 9.892 -15.987 -5.867 6 269 165 1705 2965 Inactive Selective 12331 1LPJ GLU 17 H -10.211 10.018 -15.887 -5.896 6 261 162 1721 2923 Inactive Selective 12332 1LPJ GLY 18 H -10.314 10.136 -15.692 -5.918 6 241 154 1731 2847 Inactive Selective 12333 1LPJ TYR 19 H -12.426 16.156 -16.388 -6.074 8 230 154 1727 2693 Inactive Selective 12334 1LPJ MET 20 H -10.597 12.911 -13.808 -5.266 7 221 152 1730 2459 Inactive Selective 12335 1LPJ LEU 21 H -9.595 12.014 -12.518 -4.733 7 181 144 1717 2296 Inactive Selective 12336 1LPJ ALA 22 H -9.133 11.46 -12.55 -4.754 7 165 142 1713 2129 Inactive Selective 12337 1LPJ LEU 23 H -8.705 11.223 -12.534 -4.942 5 143 139 1656 1939 Inactive Selective 12338 1LPJ GLY 24 C -6.869 7.128 -11.411 -4.763 3 110 130 1616 1822 Inactive Permissive 12339 1LPJ ILE 25 C -6.754 7.451 -11.397 -4.752 3 82 108 1552 1675 Inactive Permissive 12340 1LPJ ASP 26 C -6.752 7.448 -11.414 -4.758 3 66 84 1479 1504 Inactive Permissive 12341 1LPJ PHE 27 H -6.756 7.421 -11.41 -4.759 3 65 68 1383 1291 Inactive Permissive 12342 1LPJ ALA 28 H -6.767 7.356 -11.392 -4.752 3 66 43 1287 1107 Inactive Permissive 12343 1LPJ THR 29 H -7.728 9.082 -11.535 -4.741 5 64 17 1192 919 Inactive Inactive 12344 1LPJ ARG 30 H -9.25 10.444 -13.86 -5.187 6 65 18 1107 784 Inactive Inactive 12345 1LPJ LYS 31 H -7.451 9.043 -10.002 -3.954 4 63 18 1034 660 Inactive Inactive 12346 1LPJ ILE 32 H -6.975 9.905 -9.496 -4.027 4 49 17 981 531 Inactive Inactive 12347 1LPJ ALA 33 H -6.949 9.928 -9.584 -4.049 4 51 22 925 491 Inactive Inactive 12348 1LPJ LYS 34 H -6.891 9.969 -9.738 -4.108 4 57 43 905 479 Inactive Inactive 12349 1LPJ LEU 35 C -6.885 9.977 -9.767 -4.114 4 114 115 913 496 Inactive Inactive 12350 1LPJ LEU 36 C -7.167 10.567 -9.665 -4.224 4 157 197 968 550 Inactive Inactive 12351 1LPJ LYS 37 C -8.039 10.456 -11.488 -4.664 5 185 260 1009 570 Inactive Inactive 12352 1LPJ PRO 38 C -8.234 10.439 -11.414 -4.702 5 210 315 1064 628 Inactive Inactive 12353 1LPJ GLN 39 E -9.618 11.028 -12.916 -4.863 7 267 334 1123 782 Inactive Inactive 12354 1LPJ LYS 40 E -12.096 14.507 -16.334 -5.691 8 330 355 1175 1008 Inactive Inactive 12355 1LPJ VAL 41 E -10.668 11.536 -14.826 -5.41 6 402 380 1221 1144 Inactive Inactive 12356 1LPJ ILE 42 E -8.073 9.558 -12.695 -5.649 5 471 389 1280 1273 Inactive Inactive 12357 1LPJ GLU 43 E -7.293 7.367 -13.494 -5.839 3 589 407 1341 1456 Inactive Permissive 12358 1LPJ GLN 44 E -6.766 6.333 -13.313 -5.609 3 696 428 1398 1593 Inactive Permissive 12359 1LPJ ASN 45 E -6.71 6.63 -13.196 -5.565 3 754 428 1412 1710 Inactive Permissive 12360 1LPJ GLY 46 T -6.71 6.634 -13.195 -5.565 3 795 423 1420 1779 Inactive Permissive 12361 1LPJ ASP 47 T -6.772 6.316 -13.253 -5.556 3 815 402 1411 1834 Inactive Permissive 12362 1LPJ SER 48 E -6.987 6.207 -13.021 -5.402 3 816 331 1389 1879 Inactive Permissive 12363 1LPJ PHE 49 E -8.126 9.688 -12.053 -5.126 5 969 322 1363 1907 Inactive Selective 12364 1LPJ THR 50 E -10.394 12.179 -14.11 -5.395 6 1104 273 1344 2023 Permissive Selective 12365 1LPJ ILE 51 E -12.189 16.393 -14.999 -5.337 8 1203 224 1310 2117 Permissive Selective 12366 1LPJ HIS 52 E -11.958 12.407 -16.684 -5.393 8 1420 295 1252 2045 Permissive Gatekeeper 12367 1LPJ THR 53 E -10.541 11.42 -14.754 -5.353 6 1585 374 1206 1905 Permissive Inactive 12368 1LPJ ASN 54 E -9.94 10.679 -14.352 -5.111 6 1771 426 1188 1848 Permissive Inactive 12369 1LPJ SER 55 E -7.187 9.56 -10.172 -4.581 4 1861 479 1172 1793 Selective Inactive 12370 1LPJ SER 56 T -7.183 9.568 -10.194 -4.582 4 1842 511 1149 1695 Selective Inactive 12371 1LPJ LEU 57 T -7.183 9.571 -10.195 -4.583 4 1837 578 1152 1671 Selective Inactive 12372 1LPJ ARG 58 E -7.184 9.566 -10.183 -4.58 4 1823 698 1192 1683 Selective Inactive 12373 1LPJ ASN 59 E -7.165 9.69 -10.204 -4.595 4 1801 749 1232 1679 Selective Inactive 12374 1LPJ TYR 60 E -8.985 12.857 -11.727 -4.989 7 1827 850 1268 1689 Selective Inactive 12375 1LPJ PHE 61 E -8.854 13.924 -11.097 -4.969 7 1807 865 1298 1700 Selective Permissive 12376 1LPJ VAL 62 E -8.753 14.339 -10.853 -4.892 7 1622 795 1312 1669 Selective Permissive 12377 1LPJ LYS 63 E -7.961 13.981 -9.819 -4.872 4 1483 788 1290 1537 Selective Permissive 12378 1LPJ PHE 64 E -7.733 13.381 -9.809 -4.771 4 1381 849 1268 1386 Selective Inactive 12379 1LPJ LYS 65 E -6.394 9.733 -9.847 -4.972 3 1120 765 1260 1291 Selective Inactive 12380 1LPJ VAL 66 T -6.37 9.795 -9.888 -4.973 3 904 676 1239 1196 Gatekeeper Inactive 12381 1LPJ GLY 67 T -6.315 9.831 -10.041 -5.021 3 704 681 1194 1083 Gatekeeper Inactive 12382 1LPJ GLU 68 B -6.342 9.638 -10.07 -5.029 3 608 671 1135 980 Gatekeeper Inactive 12383 1LPJ GLU 69 C -6.366 9.528 -10.07 -5.044 3 559 678 1096 887 Gatekeeper Inactive 12384 1LPJ PHE 70 E -7.51 10.8 -11.361 -5.334 3 586 790 1053 791 Gatekeeper Inactive 12385 1LPJ ASP 71 E -7.709 10.324 -11.719 -5.496 5 788 903 1012 708 Gatekeeper Inactive 12386 1LPJ GLU 72 E -9.21 7.672 -15.883 -5.628 6 987 1060 976 745 Gatekeeper Inactive 12387 1LPJ ASP 73 E -8.338 8.067 -13.826 -5.253 6 1004 1108 950 785 Gatekeeper Inactive 12388 1LPJ ASN 74 E -8.345 8.015 -13.812 -5.24 6 1017 1161 918 816 Gatekeeper Inactive 12389 1LPJ ARG 75 T -7.767 8.343 -12.88 -5.098 5 1104 1205 886 862 Selective Inactive 12390 1LPJ GLY 76 T -7.786 8.351 -12.798 -5.083 5 1340 1380 886 956 Selective Inactive 12391 1LPJ LEU 77 T -7.813 8.447 -12.64 -5.061 5 1479 1344 907 1079 Selective Inactive 12392 1LPJ ASP 78 T -8.042 8.557 -12.362 -5.021 5 1671 1389 915 1241 Selective Inactive 12393 1LPJ ASN 79 T -8.044 8.555 -12.348 -5.019 5 1879 1430 927 1444 Selective Inactive 12394 1LPJ ARG 80 E -11.287 10.714 -17.597 -6.088 8 1980 1380 950 1688 Selective Inactive 12395 1LPJ LYS 81 E -11.507 10.846 -17.648 -6.077 8 2026 1342 956 1871 Selective Inactive 12396 1LPJ CYS 82 E -12.066 9.768 -19.126 -6.13 8 2052 1292 947 2011 Selective Gatekeeper 12397 1LPJ LYS 83 E -11.712 12.695 -15.35 -4.954 8 1994 1098 913 2086 Selective Gatekeeper 12398 1LPJ SER 84 E -11.59 13.709 -14.621 -4.778 7 1796 879 874 2120 Selective Gatekeeper 12399 1LPJ LEU 85 E -10.994 15.082 -12.754 -4.468 7 1649 706 817 2073 Selective Gatekeeper 12400 1LPJ VAL 86 E -8.88 13.304 -10.12 -4.326 4 1604 573 780 2007 Selective Gatekeeper 12401 1LPJ ILE 87 E -8.399 12.198 -10.803 -4.528 4 1581 519 763 1975 Selective Gatekeeper 12402 1LPJ TRP 88 E -7.537 11.385 -10.224 -4.632 4 1511 479 770 1965 Selective Gatekeeper 12403 1LPJ ASP 89 E -6.672 9.95 -9.628 -4.451 4 1358 301 804 1960 Permissive Gatekeeper 12404 1LPJ ASN 90 T -6.665 9.971 -9.652 -4.453 4 1299 271 843 1944 Permissive Gatekeeper 12405 1LPJ ASP 91 T -6.679 9.895 -9.645 -4.457 4 1226 228 892 1931 Permissive Gatekeeper 12406 1LPJ ARG 92 E -6.696 9.859 -9.597 -4.45 4 1153 198 985 1967 Permissive Gatekeeper 12407 1LPJ LEU 93 E -6.817 9.567 -9.494 -4.401 4 1094 262 1094 2079 Permissive Gatekeeper 12408 1LPJ THR 94 E -9.154 12.13 -11.8 -4.632 7 1066 332 1232 2390 Inactive Gatekeeper 12409 1LPJ CYS 95 E -10.165 13.267 -12.678 -4.76 7 1068 420 1361 2792 Permissive Selective 12410 1LPJ ILE 96 E -10.158 12.355 -13.404 -4.951 7 1081 467 1486 3235 Permissive Selective 12411 1LPJ GLN 97 E -10.941 8.667 -18.466 -6.396 6 1313 634 1574 3597 Selective Selective 12412 1LPJ LYS 98 E -9.149 7.496 -16.161 -6.324 6 1554 812 1690 4009 Selective Selective 12413 1LPJ GLY 99 E -6.676 5.693 -13.061 -5.742 3 1740 942 1813 4456 Selective Selective 12414 1LPJ GLU 100 T -6.676 5.693 -13.062 -5.742 3 1818 975 1943 4903 Selective Selective 12415 1LPJ LYS 101 T -6.676 5.692 -13.059 -5.741 3 1886 1026 2075 5358 Selective Selective 12416 1LPJ LYS 102 T -6.676 5.691 -13.058 -5.741 3 1864 1092 2166 5782 Selective Selective 12417 1LPJ ASN 103 T -6.685 5.665 -13.014 -5.732 3 1788 1123 2233 6189 Selective Selective 12418 1LPJ ARG 104 E -12.253 9.45 -19.891 -6.415 8 1660 1119 2278 6527 Selective Selective 12419 1LPJ GLY 105 E -12.69 11.668 -19.225 -6.261 8 1507 1104 2298 6784 Selective Selective 12420 1LPJ TRP 106 E -13.01 14.431 -18.008 -6.21 8 1424 1009 2300 6947 Selective Selective 12421 1LPJ THR 107 E -12.368 16.197 -15.343 -5.803 8 1350 924 2278 6949 Selective Selective 12422 1LPJ HIS 108 E -9.864 13.794 -12.688 -5.578 7 1320 861 2262 6753 Selective Selective 12423 1LPJ TRP 109 E -7.776 11.189 -11.233 -5.439 4 1287 869 2263 6538 Selective Selective 12424 1LPJ ILE 110 E -5.254 7.593 -9.2 -4.946 3 1098 703 2287 6483 Selective Selective 12425 1LPJ GLU 111 E -5.221 7.668 -9.296 -4.962 3 977 544 2301 6372 Gatekeeper Selective 12426 1LPJ GLY 112 T -5.22 7.675 -9.302 -4.963 3 941 465 2298 6253 Inactive Selective 12427 1LPJ ASP 113 T -5.22 7.673 -9.3 -4.962 3 882 440 2269 6098 Inactive Selective 12428 1LPJ LYS 114 E -5.228 7.628 -9.276 -4.956 3 840 449 2206 5912 Inactive Selective 12429 1LPJ LEU 115 E -6.927 9.064 -11.016 -5.246 3 852 467 2148 5715 Inactive Selective 12430 1LPJ HIS 116 E -8.963 11.464 -12.584 -5.459 6 938 562 2111 5645 Gatekeeper Selective 12431 1LPJ LEU 117 E -11.67 16.689 -14.548 -5.633 8 1018 644 2102 5753 Gatekeeper Selective 12432 1LPJ GLU 118 E -11.978 17.445 -14.854 -5.8 8 1112 801 2077 5688 Selective Selective 12433 1LPJ MET 119 E -11.055 13.864 -14.931 -5.802 8 1204 969 2026 5482 Selective Selective 12434 1LPJ PHE 120 E -9.888 11.312 -14.409 -5.653 6 1328 1161 1964 5160 Selective Selective 12435 1LPJ CYS 121 E -7.316 7.818 -12.21 -5.313 3 - - - - - - 12436 1LPJ GLU 122 T -7.145 7.683 -12.484 -5.32 3 - - - - - - 12437 1LPJ GLY 123 T -7.106 7.711 -12.567 -5.319 3 - - - - - - 12438 1LPJ GLN 124 E -7.107 7.706 -12.564 -5.318 3 - - - - - - 12439 1LPJ VAL 125 E -7.112 7.68 -12.551 -5.316 3 - - - - - - 12440 1LPJ CYS 126 E -7.822 7.466 -13.407 -5.332 6 - - - - - - 12441 1LPJ LYS 127 E -8.75 8.142 -13.824 -5.301 6 - - - - - - 12442 1LPJ GLN 128 E -12.473 11.539 -18.21 -6.045 8 - - - - - - 12443 1LPJ THR 129 E -11.382 15.194 -13.978 -5.456 8 - - - - - - 12444 1LPJ PHE 130 E -8.861 13.394 -9.797 -4.176 4 - - - - - - 12445 1LPJ GLN 131 E -8.861 13.394 -9.797 -4.176 4 - - - - - - 12446 1LPJ ARG 132 E -8.861 13.394 -9.797 -4.176 4 - - - - - - 12447 1LPJ ALA 133 C -8.861 13.394 -9.797 -4.176 4 - - - - - - 12448 1LSL GLN 416 C -6.336 4.936 -12.902 -5.405 3 - - - - - - 12449 1LSL ASP 417 C -6.336 4.936 -12.902 -5.405 3 - - - - - - 12450 1LSL GLY 418 C -6.336 4.936 -12.902 -5.405 3 - - - - - - 12451 1LSL GLY 419 B -6.336 4.936 -12.902 -5.405 3 - - - - - - 12452 1LSL TRP 420 C -10.418 10.221 -16.22 -6.105 6 - - - - - - 12453 1LSL SER 421 C -9.086 7.689 -14.048 -5.006 6 - - - - - - 12454 1LSL HIS 422 C -8.463 10.392 -12.52 -5.194 5 - - - - - - 12455 1LSL TRP 423 C -8.458 10.406 -12.54 -5.195 5 - - - - - - 12456 1LSL SER 424 C -8.23 9.376 -12.7 -4.881 5 - - - - - - 12457 1LSL PRO 425 C -7.437 7.925 -11.868 -4.575 5 - - - - - - 12458 1LSL TRP 426 C -7.462 7.951 -11.779 -4.551 5 - - - - - - 12459 1LSL SER 427 C -7.449 6.964 -12.086 -4.381 5 - - - - - - 12460 1LSL SER 428 C -5.812 4.456 -10.297 -3.918 2 627 1835 502 127 Inactive Inactive 12461 1LSL CYS 429 T -5.33 4.763 -10.332 -4.236 2 700 1884 550 185 Inactive Inactive 12462 1LSL SER 430 T -5.214 4.58 -10.489 -4.239 2 755 1832 617 255 Inactive Inactive 12463 1LSL VAL 431 T -5.008 4.61 -10.57 -4.338 2 835 1864 680 320 Inactive Inactive 12464 1LSL THR 432 T -4.51 5.437 -10.654 -5.125 3 948 2047 739 371 Inactive Permissive 12465 1LSL CYS 433 T -4.562 5.568 -10.745 -5.265 3 1060 2247 803 411 Inactive Selective 12466 1LSL GLY 434 E -4.628 5.734 -10.794 -5.364 3 1223 2402 843 439 Permissive Selective 12467 1LSL ASP 435 E -4.665 5.901 -10.761 -5.442 3 1254 2490 883 451 Permissive Selective 12468 1LSL GLY 436 E -4.772 6.141 -10.759 -5.612 3 1292 2500 904 456 Permissive Selective 12469 1LSL VAL 437 E -6.064 6.779 -11.066 -4.784 3 1398 2676 938 458 Permissive Selective 12470 1LSL ILE 438 E -6.244 7.241 -10.58 -4.681 3 1415 2728 955 458 Permissive Selective 12471 1LSL THR 439 E -7.226 8.596 -10.969 -4.844 3 1288 2661 943 453 Permissive Selective 12472 1LSL ARG 440 E -10.234 12.02 -13.933 -5.076 7 1202 2748 933 437 Permissive Selective 12473 1LSL ILE 441 E -9.536 9.828 -14.163 -5.29 6 1188 3084 890 389 Inactive Selective 12474 1LSL ARG 442 C -9.437 9.327 -14.509 -5.34 6 1187 3437 838 333 Inactive Permissive 12475 1LSL LEU 443 C -8.048 6.52 -13.106 -4.644 5 1197 4245 785 263 Permissive Permissive 12476 1LSL CYS 444 T -7.652 6.562 -12.931 -4.587 5 1198 5162 743 200 Permissive Permissive 12477 1LSL ASN 445 T -7.388 7.027 -12.31 -4.364 5 1198 5917 707 150 Selective Inactive 12478 1LSL SER 446 T -7.392 6.999 -12.306 -4.351 5 1222 6761 661 112 Selective Inactive 12479 1LSL PRO 447 B -7.157 6.993 -11.888 -4.135 5 1227 7685 649 92 Selective Inactive 12480 1LSL SER 448 T -4.925 4.702 -8.673 -3.744 2 1274 8143 640 89 Selective Inactive 12481 1LSL PRO 449 C -3.155 3.994 -7.233 -4.026 1 1303 8478 634 95 Selective Inactive 12482 1LSL GLN 450 T -2.947 3.721 -7.671 -4.126 2 1376 8349 609 93 Selective Inactive 12483 1LSL MET 451 T -2.585 3.141 -7.631 -3.997 2 1468 8210 593 90 Selective Inactive 12484 1LSL ASN 452 T -2.578 3.154 -7.662 -4.004 2 1636 8274 595 93 Selective Inactive 12485 1LSL GLY 453 T -2.588 3.125 -7.648 -4.008 2 1674 8096 596 95 Selective Inactive 12486 1LSL LYS 454 C -2.839 2.639 -7.961 -3.974 2 1653 7694 600 98 Selective Inactive 12487 1LSL PRO 455 C -2.974 2.535 -7.852 -3.887 1 1605 7255 608 107 Selective Inactive 12488 1LSL CYS 456 C -4.142 3.43 -10.388 -4.546 2 1621 6346 599 112 Selective Inactive 12489 1LSL GLU 457 C -4.036 3.814 -9.886 -4.415 2 1612 5231 597 117 Permissive Inactive 12490 1LSL GLY 458 C -4.032 3.899 -9.847 -4.415 2 1528 4269 591 125 Permissive Inactive 12491 1LSL GLU 459 T -4.211 4.303 -9.674 -4.391 2 1418 3200 591 137 Permissive Inactive 12492 1LSL ALA 460 T -4.562 5.308 -9.215 -4.249 2 1265 2115 583 150 Permissive Inactive 12493 1LSL ARG 461 E -4.594 6.019 -8.65 -4.14 2 1216 1521 564 160 Permissive Inactive 12494 1LSL GLU 462 E -5.391 8.853 -8.978 -4.454 2 1143 1058 550 169 Inactive Inactive 12495 1LSL THR 463 E -4.936 8.367 -8.453 -4.539 2 932 966 550 187 Inactive Inactive 12496 1LSL LYS 464 E -4.961 8.218 -8.582 -4.59 2 892 1330 559 207 Inactive Inactive 12497 1LSL ALA 465 E -4.858 7.754 -8.898 -4.607 2 718 1507 569 224 Inactive Inactive 12498 1LSL CYS 466 E -4.811 7.108 -9.259 -4.641 2 694 2094 601 250 Inactive Inactive 12499 1LSL LYS 467 E -4.418 7.567 -9.3 -5.067 3 734 3111 635 292 Inactive Inactive 12500 1LSL LYS 468 E -4.555 7.523 -9.611 -5.176 3 718 4215 669 320 Inactive Inactive 12501 1LSL ASP 469 B -4.539 7.519 -9.529 -5.102 3 632 5291 696 350 Gatekeeper Inactive 12502 1LSL ALA 470 C -4.594 7.738 -9.42 -5.133 3 576 7118 717 370 Gatekeeper Inactive 12503 1LSL CYS 471 C -4.652 7.934 -9.344 -5.152 3 554 9088 736 389 Gatekeeper Gatekeeper 12504 1LSL PRO 472 C -5.131 7.462 -9.09 -4.202 2 528 10997 738 401 Gatekeeper Gatekeeper 12505 1LSL ILE 473 B -5.298 7.387 -9.084 -4.154 2 514 12083 738 410 Gatekeeper Gatekeeper 12506 1LSL ASN 474 C -5.432 7.425 -9.163 -4.269 2 480 13191 757 419 Gatekeeper Selective 12507 1LSL GLY 475 C -5.445 7.332 -9.26 -4.32 2 475 13983 772 426 Gatekeeper Selective 12508 1LSL GLY 476 E -5.605 7.349 -9.129 -4.339 2 441 14111 786 437 Gatekeeper Selective 12509 1LSL TRP 477 E -7.079 8.155 -12.082 -5.19 3 313 13760 807 458 Gatekeeper Selective 12510 1LSL GLY 478 E -6.811 7.394 -12.017 -4.965 3 290 13580 839 483 Gatekeeper Selective 12511 1LSL PRO 479 C -6.885 7.162 -11.944 -4.869 3 219 13042 849 502 Gatekeeper Selective 12512 1LSL TRP 480 C -7.306 6.878 -12.028 -4.692 3 149 12129 869 503 Gatekeeper Selective 12513 1LSL SER 481 C -7.072 6.349 -12.137 -4.557 3 209 11437 877 506 Gatekeeper Selective 12514 1LSL PRO 482 C -6.292 6.306 -11.258 -4.645 3 264 10896 881 508 Gatekeeper Selective 12515 1LSL TRP 483 C -6.387 6.299 -11.173 -4.656 3 394 9310 882 515 Gatekeeper Selective 12516 1LSL ASP 484 C -6.29 5.784 -11.444 -4.553 3 463 7477 881 521 Gatekeeper Selective 12517 1LSL ILE 485 C -5.527 3.93 -10.669 -3.941 2 618 5736 903 566 Gatekeeper Selective 12518 1LSL CYS 486 C -5.527 3.884 -10.693 -3.94 2 880 4929 937 625 Inactive Selective 12519 1LSL SER 487 C -5.633 3.301 -10.74 -3.779 2 1266 3992 978 712 Permissive Selective 12520 1LSL VAL 488 T -4.997 3.811 -10.664 -4.369 2 1623 3346 1030 823 Permissive Selective 12521 1LSL THR 489 T -4.228 4.96 -10.407 -5.259 3 2168 3333 1091 965 Permissive Selective 12522 1LSL CYS 490 T -4.226 5.124 -10.505 -5.386 3 2688 3630 1137 1070 Permissive Selective 12523 1LSL GLY 491 T -4.226 5.132 -10.508 -5.39 3 3272 3908 1152 1148 Permissive Selective 12524 1LSL GLY 492 C -4.228 5.137 -10.498 -5.394 3 3456 4120 1158 1203 Permissive Selective 12525 1LSL GLY 493 E -4.346 5.368 -10.466 -5.551 3 3537 4142 1138 1235 Permissive Selective 12526 1LSL VAL 494 E -5.669 5.291 -11.641 -5.286 3 3673 4136 1135 1274 Permissive Selective 12527 1LSL GLN 495 E -7.506 6.245 -13.586 -5.539 3 3836 4062 1130 1295 Permissive Selective 12528 1LSL LYS 496 E -9.279 7.168 -15.431 -5.7 6 3711 4236 1133 1313 Permissive Selective 12529 1LSL ARG 497 E -12.658 9.993 -19.231 -5.933 8 3674 4608 1139 1327 Permissive Selective 12530 1LSL SER 498 E -10.98 8.359 -16.3 -5.116 6 3557 5108 1114 1279 Permissive Selective 12531 1LSL ARG 499 C -9.527 8.995 -14.349 -5.158 6 3349 5479 1078 1208 Selective Selective 12532 1LSL LEU 500 E -7.234 6.098 -11.661 -4.312 3 3011 6041 1023 1104 Selective Selective 12533 1LSL CYS 501 E -6.163 7.218 -10.174 -4.467 3 2796 6953 954 973 Selective Selective 12534 1LSL ASN 502 E -5.749 7.986 -9.254 -4.222 2 2303 7477 872 802 Selective Selective 12535 1LSL ASN 503 E -5.708 8.078 -9.268 -4.204 2 1846 7937 792 657 Selective Selective 12536 1LSL PRO 504 B -5.705 8.103 -9.267 -4.2 2 1342 8356 724 533 Selective Gatekeeper 12537 1LSL THR 505 T -5.602 8.466 -9.057 -4.209 2 1181 8297 672 429 Gatekeeper Gatekeeper 12538 1LSL PRO 506 C -5.142 8.923 -8.167 -4.364 2 1113 8420 633 353 Gatekeeper Inactive 12539 1LSL GLN 507 B -5.05 8.523 -8.528 -4.523 2 935 8029 588 281 Gatekeeper Inactive 12540 1LSL PHE 508 T -4.585 7.463 -8.586 -4.554 2 776 7709 570 234 Gatekeeper Inactive 12541 1LSL GLY 509 T -4.008 5.093 -9.305 -4.702 2 1044 7597 550 194 Gatekeeper Inactive 12542 1LSL GLY 510 T -3.893 4.529 -9.543 -4.638 2 1066 7135 531 160 Gatekeeper Inactive 12543 1LSL LYS 511 C -3.571 3.096 -9.707 -4.517 2 1042 6518 535 158 Gatekeeper Inactive 12544 1LSL ASP 512 C -3.566 2.953 -9.791 -4.518 2 1016 5941 538 161 Gatekeeper Inactive 12545 1LSL CYS 513 C -3.623 2.546 -9.937 -4.51 2 993 5257 542 170 Gatekeeper Inactive 12546 1LSL VAL 514 C -3.616 2.691 -9.667 -4.366 2 918 4302 552 183 Inactive Inactive 12547 1LSL GLY 515 C -3.684 2.778 -9.567 -4.378 2 1044 3634 561 199 Inactive Inactive 12548 1LSL ASP 516 T -4.176 3.903 -9.373 -4.401 2 - - - - - - 12549 1LSL VAL 517 T -4.234 4.093 -9.1 -4.372 2 - - - - - - 12550 1LSL THR 518 E -4.248 4.141 -9.013 -4.372 2 - - - - - - 12551 1LSL GLU 519 E -6.23 6.507 -11.304 -5.018 3 - - - - - - 12552 1LSL ASN 520 E -7.565 7.84 -13.158 -5.346 6 - - - - - - 12553 1LSL GLN 521 E -8.114 8.593 -13.476 -5.479 6 - - - - - - 12554 1LSL ILE 522 E -7.689 7.182 -14.565 -6.064 6 - - - - - - 12555 1LSL CYS 523 E -6.929 6.286 -17.051 -8.362 3 - - - - - - 12556 1LSL ASN 524 T -5.065 6.86 -12.795 -7.238 3 - - - - - - 12557 1LSL LYS 525 T -3.671 4.115 -7.9 -3.966 2 - - - - - - 12558 1LSL GLN 526 C -3.671 4.115 -7.9 -3.966 2 - - - - - - 12559 1LSL ASP 527 C -3.671 4.115 -7.9 -3.966 2 - - - - - - 12560 1LSL CYS 528 C -3.671 4.115 -7.9 -3.966 2 - - - - - - 12561 1M7B VAL 22 C -9.761 7.583 -14.48 -4.616 6 - - - - - - 12562 1M7B LYS 23 E -9.761 7.583 -14.48 -4.616 6 - - - - - - 12563 1M7B CYS 24 E -9.761 7.583 -14.48 -4.616 6 - - - - - - 12564 1M7B LYS 25 E -9.761 7.583 -14.48 -4.616 6 - - - - - - 12565 1M7B ILE 26 E -8.902 15.547 -7.966 -3.719 4 - - - - - - 12566 1M7B VAL 27 E -8.865 15.386 -8.212 -3.754 4 - - - - - - 12567 1M7B VAL 28 E -8.857 15.326 -8.3 -3.767 4 - - - - - - 12568 1M7B VAL 29 E -8.848 15.229 -8.427 -3.79 4 - - - - - - 12569 1M7B GLY 30 E -8.844 15.168 -8.507 -3.806 4 - - - - - - 12570 1M7B ASP 31 T -10.139 10.939 -14.429 -4.842 6 - - - - - - 12571 1M7B SER 32 T -10.549 8.613 -17.238 -5.497 6 - - - - - - 12572 1M7B GLN 33 T -10.601 8.202 -17.919 -5.806 6 - - - - - - 12573 1M7B CYS 34 T -10.531 8.436 -17.646 -5.801 6 2856 3429 1094 1475 Selective Gatekeeper 12574 1M7B GLY 35 C -10.503 9.231 -17.008 -5.659 6 3003 3449 1105 1507 Selective Gatekeeper 12575 1M7B LYS 36 H -10.671 9.969 -16.532 -5.555 6 2953 3256 1118 1543 Selective Gatekeeper 12576 1M7B THR 37 H -10.739 10.244 -16.24 -5.479 6 2838 3032 1132 1563 Selective Gatekeeper 12577 1M7B ALA 38 H -10.865 10.513 -15.821 -5.297 6 2624 2768 1142 1590 Selective Gatekeeper 12578 1M7B LEU 39 H -11.5 12.649 -15.068 -5.074 8 2356 2377 1173 1607 Selective Gatekeeper 12579 1M7B LEU 40 H -12.323 18.006 -13.063 -4.463 7 2178 2128 1209 1543 Selective Selective 12580 1M7B HIS 41 H -11.166 16.111 -12.094 -4.526 7 2016 1862 1229 1450 Selective Selective 12581 1M7B VAL 42 H -8.949 14.043 -9.738 -4.37 4 1881 1717 1240 1307 Selective Selective 12582 1M7B PHE 43 H -8.207 11.705 -10.534 -4.478 4 1615 1448 1268 1148 Selective Selective 12583 1M7B ALA 44 H -7.722 10.873 -10.808 -4.563 4 1196 1131 1295 1003 Selective Selective 12584 1M7B LYS 45 H -7.576 11.342 -11.334 -5.052 4 898 927 1337 876 Selective Permissive 12585 1M7B ASP 46 C -6.88 10.577 -10.347 -4.778 4 696 818 1393 795 Selective Permissive 12586 1M7B CYS 47 C -5.037 9.447 -6.84 -4.072 2 532 803 1448 748 Selective Permissive 12587 1M7B PHE 48 C -4.895 10.013 -6.787 -4.138 2 331 806 1519 745 Selective Permissive 12588 1M7B PRO 49 C -3.594 8.029 -5.705 -3.956 2 270 831 1591 763 Selective Permissive 12589 1M7B GLU 50 C -2.419 5.368 -5.7 -3.941 1 251 770 1627 801 Selective Permissive 12590 1M7B ASN 51 C -2.396 5.431 -5.772 -3.959 1 226 726 1671 831 Selective Permissive 12591 1M7B TYR 52 C -2.402 5.393 -5.766 -3.958 1 201 705 1697 860 Gatekeeper Permissive 12592 1M7B VAL 53 C -2.403 5.377 -5.764 -3.956 1 226 701 1697 901 Selective Permissive 12593 1M7B PRO 54 C -2.481 5.021 -5.767 -3.944 1 244 720 1692 934 Selective Permissive 12594 1M7B THR 55 C -4.29 7.138 -7.467 -4.3 2 246 668 1663 950 Selective Permissive 12595 1M7B VAL 56 C -5.757 10.193 -8.12 -4.296 4 251 618 1638 966 Selective Selective 12596 1M7B PHE 57 C -6.481 12.538 -7.603 -4.32 4 240 575 1620 982 Selective Selective 12597 1M7B GLU 58 E -7.726 14.867 -10.591 -5.934 7 221 480 1607 997 Selective Selective 12598 1M7B ASN 59 E -8.678 15.198 -12.872 -6.727 7 207 417 1577 988 Selective Selective 12599 1M7B TYR 60 E -9.35 13.103 -12.751 -5.227 7 190 346 1537 951 Gatekeeper Permissive 12600 1M7B THR 61 E -7.71 11.741 -9.977 -4.702 4 176 211 1481 886 Inactive Permissive 12601 1M7B ALA 62 E -7.673 11.898 -10.065 -4.75 4 151 141 1434 836 Inactive Permissive 12602 1M7B SER 63 E -7.248 11.872 -9.849 -4.779 4 133 132 1419 815 Inactive Permissive 12603 1M7B PHE 64 E -4.706 9.76 -6.195 -4.136 2 136 123 1399 848 Inactive Permissive 12604 1M7B GLU 65 E -2.619 6.316 -5.462 -4.143 2 112 71 1378 989 Inactive Selective 12605 1M7B ILE 66 T -2.579 6.359 -5.57 -4.148 2 76 36 1385 1156 Inactive Selective 12606 1M7B ASP 67 T -2.578 6.36 -5.578 -4.148 2 70 6 1406 1392 Inactive Selective 12607 1M7B THR 68 T -2.578 6.359 -5.577 -4.148 2 86 8 1462 1643 Inactive Selective 12608 1M7B GLN 69 T -2.595 6.257 -5.557 -4.145 2 121 23 1513 1870 Inactive Selective 12609 1M7B ARG 70 E -4.196 6.837 -7.084 -4.118 2 181 222 1565 2160 Inactive Selective 12610 1M7B ILE 71 E -6.338 6.693 -9.935 -4.172 2 185 322 1601 2504 Inactive Selective 12611 1M7B GLU 72 E -9.223 9.832 -13.8 -5.303 6 201 474 1653 2921 Gatekeeper Selective 12612 1M7B LEU 73 E -12.138 15.909 -16.621 -6.584 8 208 607 1714 3349 Selective Selective 12613 1M7B SER 74 E -12.741 13.289 -16.599 -5.152 8 216 677 1753 3662 Selective Selective 12614 1M7B LEU 75 E -13.593 15.834 -17.056 -5.404 8 222 758 1797 3833 Selective Selective 12615 1M7B TRP 76 E -12.674 14.267 -16.983 -6.113 8 227 853 1801 3843 Selective Selective 12616 1M7B ASP 77 E -12.082 11.808 -17.597 -6.006 8 233 956 1781 3738 Selective Selective 12617 1M7B THR 78 C -10.449 8.632 -15.983 -5.413 6 245 1067 1723 3505 Selective Selective 12618 1M7B SER 79 C -8.922 6.34 -14.589 -4.915 6 254 1145 1635 3244 Selective Selective 12619 1M7B GLY 80 C -7.826 8.084 -12.487 -4.92 5 244 1218 1541 2938 Selective Selective 12620 1M7B SER 81 C -7.789 8.067 -12.587 -4.914 5 225 1277 1439 2648 Selective Selective 12621 1M7B PRO 82 G -6.893 8.303 -11.094 -4.799 3 187 1324 1352 2388 Gatekeeper Selective 12622 1M7B TYR 83 G -6.652 8.635 -10.819 -4.73 3 151 1213 1241 2057 Gatekeeper Selective 12623 1M7B TYR 84 G -6.664 8.688 -10.747 -4.727 3 147 1168 1133 1679 Gatekeeper Gatekeeper 12624 1M7B ASP 85 T -6.738 8.727 -10.569 -4.701 3 134 1095 994 1231 Gatekeeper Gatekeeper 12625 1M7B ASN 86 T -6.732 8.768 -10.548 -4.686 3 129 1040 852 781 Gatekeeper Inactive 12626 1M7B VAL 87 T -7.267 9.352 -10.366 -4.568 4 126 1127 741 438 Gatekeeper Inactive 12627 1M7B ARG 88 G -8.989 10.366 -11.559 -4.114 5 134 1222 615 209 Gatekeeper Inactive 12628 1M7B PRO 89 G -9.002 10.314 -11.5 -4.083 5 140 1296 538 106 Gatekeeper Inactive 12629 1M7B LEU 90 G -8.964 10.157 -11.699 -4.116 5 145 1323 502 74 Gatekeeper Inactive 12630 1M7B SER 91 G -10.187 9.387 -14.786 -4.692 6 142 1268 530 101 Gatekeeper Inactive 12631 1M7B TYR 92 T -9.845 9.291 -14.848 -4.936 6 150 1297 571 157 Gatekeeper Inactive 12632 1M7B PRO 93 T -8.206 6.227 -13.133 -4.456 5 200 1388 616 264 Gatekeeper Inactive 12633 1M7B ASP 94 T -8.169 6.389 -13.163 -4.463 5 257 1333 664 432 Selective Inactive 12634 1M7B SER 95 T -8.184 6.33 -13.124 -4.458 5 288 1304 700 655 Selective Inactive 12635 1M7B ASP 96 C -8.186 6.329 -13.112 -4.455 5 275 1227 754 958 Selective Inactive 12636 1M7B ALA 97 E -8.2 6.281 -13.052 -4.431 5 302 1186 794 1322 Selective Gatekeeper 12637 1M7B VAL 98 E -9.758 9.655 -13.491 -4.522 5 323 1121 862 1764 Selective Gatekeeper 12638 1M7B LEU 99 E -11.17 15.863 -11.945 -4.12 7 326 1045 915 2309 Selective Gatekeeper 12639 1M7B ILE 100 E -11.194 16.041 -11.786 -4.106 7 323 891 970 2856 Selective Gatekeeper 12640 1M7B CYS 101 E -11.386 16.213 -11.58 -4.099 7 308 723 1038 3393 Selective Gatekeeper 12641 1M7B PHE 102 E -12.818 18.333 -13.886 -4.79 7 301 562 1097 3914 Selective Gatekeeper 12642 1M7B ASP 103 E -13.082 15.937 -16.087 -5.158 8 270 431 1162 4410 Selective Gatekeeper 12643 1M7B ILE 104 T -12.482 12.969 -16.194 -4.914 8 256 375 1212 4857 Selective Selective 12644 1M7B SER 105 T -11.747 10.889 -16.439 -5.089 8 236 268 1256 5278 Permissive Selective 12645 1M7B ARG 106 T -11.514 11.335 -16.044 -4.997 8 181 104 1307 5669 Inactive Selective 12646 1M7B PRO 107 H -9.591 11.857 -12.411 -4.866 7 122 99 1364 5917 Inactive Selective 12647 1M7B GLU 108 H -9.484 11.796 -12.706 -4.934 7 92 65 1421 6104 Inactive Selective 12648 1M7B THR 109 H -9.47 11.853 -12.721 -4.932 7 84 51 1491 6205 Inactive Selective 12649 1M7B LEU 110 H -9.476 11.887 -12.672 -4.929 7 54 37 1551 6163 Inactive Selective 12650 1M7B ASP 111 H -9.304 11.211 -12.943 -4.818 7 31 23 1609 5967 Inactive Selective 12651 1M7B SER 112 H -9.801 10.247 -14.018 -4.762 6 31 23 1680 5614 Inactive Selective 12652 1M7B VAL 113 H -9.992 9.816 -13.954 -4.567 6 49 31 1728 5272 Inactive Selective 12653 1M7B LEU 114 H -10.032 9.542 -13.985 -4.554 6 53 28 1747 4929 Inactive Selective 12654 1M7B LYS 115 H -10.031 9.545 -14.013 -4.574 6 59 36 1776 4594 Inactive Selective 12655 1M7B LYS 116 H -11.312 11.444 -15.753 -5.148 8 65 57 1770 4232 Inactive Selective 12656 1M7B TRP 117 H -12.057 14.395 -16.35 -5.878 8 68 88 1726 3809 Inactive Selective 12657 1M7B LYS 118 H -11.355 12.041 -16.296 -5.855 8 87 99 1657 3348 Inactive Selective 12658 1M7B GLY 119 H -10.172 10.193 -15.074 -5.478 6 91 106 1560 2849 Inactive Selective 12659 1M7B GLU 120 H -10.082 10.667 -14.89 -5.441 6 93 118 1471 2425 Inactive Selective 12660 1M7B ILE 121 H -9.666 11.987 -13.569 -5.211 6 100 144 1406 2009 Inactive Selective 12661 1M7B GLN 122 H -8.751 9.865 -12.784 -4.859 5 104 177 1324 1616 Inactive Selective 12662 1M7B GLU 123 H -7 7.951 -10.559 -4.408 5 107 203 1274 1332 Inactive Selective 12663 1M7B PHE 124 H -6.724 8.477 -10.454 -4.484 5 111 229 1239 1188 Inactive Selective 12664 1M7B CYS 125 H -6.649 8.29 -10.726 -4.526 3 138 260 1228 1147 Inactive Selective 12665 1M7B PRO 126 T -6.635 8.308 -10.767 -4.534 3 189 297 1230 1106 Inactive Selective 12666 1M7B ASN 127 T -6.648 8.29 -10.728 -4.529 3 218 293 1223 1052 Permissive Selective 12667 1M7B THR 128 T -7.087 8.775 -11.044 -4.688 5 225 279 1185 948 Permissive Permissive 12668 1M7B LYS 129 E -7.783 7.448 -12.689 -4.847 5 234 259 1174 901 Permissive Inactive 12669 1M7B MET 130 E -8.768 9.717 -12.456 -4.866 5 257 236 1193 960 Permissive Selective 12670 1M7B LEU 131 E -10.492 14.431 -12.857 -4.848 7 255 232 1228 1075 Permissive Selective 12671 1M7B LEU 132 E -10.782 14.85 -12.593 -4.579 7 256 227 1278 1171 Permissive Selective 12672 1M7B VAL 133 E -10.724 14.342 -13.013 -4.637 7 257 213 1310 1255 Permissive Selective 12673 1M7B GLY 134 E -10.72 14.284 -13.078 -4.65 7 265 189 1321 1311 Permissive Selective 12674 1M7B CYS 135 E -10.88 13.343 -13.591 -4.683 7 285 158 1315 1339 Permissive Selective 12675 1M7B LYS 136 T -11.606 10.877 -16.627 -5.194 8 280 132 1274 1320 Permissive Selective 12676 1M7B SER 137 G -11.553 10.278 -17.05 -5.341 6 275 106 1195 1226 Permissive Selective 12677 1M7B ASP 138 G -11.45 10.177 -17.014 -5.382 6 243 73 1109 1080 Permissive Gatekeeper 12678 1M7B LEU 139 G -10.315 8.659 -15.02 -4.646 6 176 25 1013 924 Inactive Inactive 12679 1M7B ARG 140 T -8.691 5.896 -13.473 -4.042 5 144 24 941 784 Inactive Inactive 12680 1M7B THR 141 T -5.652 5.803 -9.067 -3.83 2 137 22 896 704 Inactive Inactive 12681 1M7B ASP 142 T -5.634 5.862 -9.119 -3.831 2 150 21 834 608 Inactive Inactive 12682 1M7B VAL 143 H -5.618 5.886 -9.169 -3.827 2 140 13 780 492 Inactive Inactive 12683 1M7B SER 144 H -5.617 5.888 -9.172 -3.827 2 141 17 731 363 Inactive Inactive 12684 1M7B THR 145 H -5.62 5.89 -9.152 -3.827 2 172 32 680 262 Inactive Inactive 12685 1M7B LEU 146 H -7.289 7.36 -11.046 -3.866 4 192 54 630 175 Inactive Inactive 12686 1M7B VAL 147 H -7.671 7.191 -11.627 -3.986 5 174 62 558 115 Inactive Inactive 12687 1M7B GLU 148 H -8.14 7.644 -13.436 -4.774 5 149 70 520 77 Inactive Inactive 12688 1M7B LEU 149 H -7.174 5.923 -11.369 -3.769 3 155 88 521 61 Inactive Inactive 12689 1M7B SER 150 H -5.837 3.942 -10.617 -3.804 2 166 134 534 60 Inactive Inactive 12690 1M7B ASN 151 H -5.262 3.949 -10.045 -3.735 2 169 172 544 62 Inactive Inactive 12691 1M7B HIS 152 C -5.122 4.682 -9.624 -3.654 2 172 214 564 66 Inactive Inactive 12692 1M7B ARG 153 C -5.109 4.819 -9.569 -3.64 2 178 247 580 75 Inactive Inactive 12693 1M7B GLN 154 C -5.124 4.801 -9.535 -3.643 2 173 281 587 84 Inactive Inactive 12694 1M7B THR 155 C -5.309 5.201 -9.169 -3.582 2 165 331 615 93 Inactive Inactive 12695 1M7B PRO 156 C -5.973 7.769 -8.066 -3.345 2 166 374 650 104 Gatekeeper Inactive 12696 1M7B VAL 157 C -7.282 10.49 -8.033 -3.248 4 154 363 693 118 Gatekeeper Inactive 12697 1M7B SER 158 C -8.651 8.762 -13.323 -4.834 5 127 353 711 130 Gatekeeper Inactive 12698 1M7B TYR 159 H -8.355 8.551 -13.353 -4.963 5 118 357 737 158 Gatekeeper Inactive 12699 1M7B ASP 160 H -7.47 6.652 -13.053 -4.974 3 135 445 766 206 Gatekeeper Inactive 12700 1M7B GLN 161 H -7.468 6.631 -13.08 -4.982 3 148 530 786 250 Gatekeeper Inactive 12701 1M7B GLY 162 H -7.466 6.653 -13.085 -4.986 3 146 570 799 280 Gatekeeper Inactive 12702 1M7B ALA 163 H -7.494 6.606 -13.044 -4.951 3 139 549 813 323 Gatekeeper Inactive 12703 1M7B ASN 164 H -7.487 6.548 -13.005 -4.892 3 138 516 809 368 Gatekeeper Inactive 12704 1M7B MET 165 H -8.375 8.608 -13.06 -4.562 5 137 490 798 414 Gatekeeper Inactive 12705 1M7B ALA 166 H -6.993 8.178 -10.456 -4.312 4 153 484 791 468 Gatekeeper Inactive 12706 1M7B LYS 167 H -6.205 8.648 -9.426 -4.347 4 158 464 779 507 Gatekeeper Inactive 12707 1M7B GLN 168 H -6.132 8.858 -9.427 -4.353 4 149 420 757 534 Gatekeeper Inactive 12708 1M7B ILE 169 H -5.918 9.369 -8.988 -4.259 4 156 410 717 542 Gatekeeper Inactive 12709 1M7B GLY 170 C -5.905 9.438 -8.998 -4.263 4 201 438 671 541 Gatekeeper Inactive 12710 1M7B ALA 171 C -5.997 9.667 -8.796 -4.258 4 240 436 642 536 Selective Inactive 12711 1M7B ALA 172 C -6.429 10.588 -8.503 -4.148 4 282 419 615 513 Selective Inactive 12712 1M7B THR 173 E -6.563 10.649 -8.227 -4.084 4 358 345 609 475 Permissive Inactive 12713 1M7B TYR 174 E -8.065 12.638 -9.654 -4.429 4 432 274 589 437 Permissive Inactive 12714 1M7B ILE 175 E -9.554 15.208 -10.169 -4.242 7 466 220 581 416 Permissive Inactive 12715 1M7B GLU 176 E -10.275 15.404 -11.825 -4.944 7 551 207 573 381 Permissive Inactive 12716 1M7B CYS 177 C -9.853 10.086 -13.918 -4.963 6 588 213 575 343 Permissive Inactive 12717 1M7B SER 178 B -8.454 9.25 -12.036 -4.574 5 686 209 589 294 Permissive Inactive 12718 1M7B ALA 179 T -8.104 9.632 -11.91 -4.659 5 796 195 613 259 Permissive Inactive 12719 1M7B LEU 180 T -7.823 8.89 -12.556 -4.915 5 972 196 660 246 Permissive Inactive 12720 1M7B GLN 181 T -7.792 8.788 -12.702 -4.938 5 1185 223 710 285 Permissive Inactive 12721 1M7B SER 182 B -7.807 8.757 -12.682 -4.939 5 1329 202 754 371 Permissive Inactive 12722 1M7B GLU 183 H -8.016 8.588 -13.064 -5.111 5 1444 184 803 508 Permissive Inactive 12723 1M7B ASN 184 H -8.295 7.659 -13.895 -5.317 6 1529 190 856 669 Permissive Inactive 12724 1M7B SER 185 H -9.374 7.591 -15.303 -5.214 6 1527 191 896 820 Permissive Inactive 12725 1M7B VAL 186 H -10.212 9.507 -14.979 -4.705 6 1465 174 935 951 Permissive Inactive 12726 1M7B ARG 187 H -10.355 9.781 -14.714 -4.646 6 1426 158 984 1069 Permissive Gatekeeper 12727 1M7B ASP 188 H -10.501 12.833 -13.123 -4.485 7 - - - - - - 12728 1M7B ILE 189 H -10.776 17.211 -10.921 -4.304 7 - - - - - - 12729 1M7B PHE 190 H -10.631 17.35 -10.938 -4.365 7 - - - - - - 12730 1M7B HIS 191 H -10.052 14.071 -11.661 -4.215 7 - - - - - - 12731 1M7B VAL 192 H -9.816 13.387 -11.844 -4.147 7 - - - - - - 12732 1M7B ALA 193 H -9.892 12.826 -12.13 -4.169 7 - - - - - - 12733 1M7B THR 194 H -9.816 12.355 -12.921 -4.59 7 - - - - - - 12734 1M7B LEU 195 H -9.165 10.156 -14.052 -5.33 6 - - - - - - 12735 1M7B ALA 196 H -8.444 7.942 -13.57 -4.966 5 - - - - - - 12736 1M7B CYS 197 H -6.401 5.424 -10.512 -3.983 2 - - - - - - 12737 1M7B VAL 198 H -6.401 5.424 -10.512 -3.983 2 - - - - - - 12738 1M7B ASN 199 C -6.401 5.424 -10.512 -3.983 2 - - - - - - 12739 1M7B LYS 200 C -6.401 5.424 -10.512 -3.983 2 - - - - - - 12740 1M9Z ALA 26 C -11.406 9.212 -15.779 -4.612 6 - - - - - - 12741 1M9Z LEU 27 E -11.406 9.212 -15.779 -4.612 6 - - - - - - 12742 1M9Z CYS 28 E -11.406 9.212 -15.779 -4.612 6 - - - - - - 12743 1M9Z LYS 29 E -11.406 9.212 -15.779 -4.612 6 - - - - - - 12744 1M9Z PHE 30 C -10.047 9.663 -13.982 -4.774 6 - - - - - - 12745 1M9Z CYS 31 T -8.348 8.047 -12.653 -4.653 5 - - - - - - 12746 1M9Z ASP 32 E -8.298 8.169 -12.74 -4.663 5 - - - - - - 12747 1M9Z VAL 33 E -7.758 8.379 -12.077 -4.535 5 - - - - - - 12748 1M9Z ARG 34 E -7.666 8.233 -12.306 -4.575 5 - - - - - - 12749 1M9Z PHE 35 E -7.591 8.128 -12.528 -4.676 5 - - - - - - 12750 1M9Z SER 36 C -7.39 6.812 -13.286 -4.99 3 - - - - - - 12751 1M9Z THR 37 C -6.912 5.284 -13.692 -5.176 3 - - - - - - 12752 1M9Z CYS 38 T -6.989 4.74 -14.1 -5.305 3 5389 4700 833 478 Selective Inactive 12753 1M9Z ASP 39 T -6.735 5.042 -13.712 -5.271 3 5920 5128 883 545 Selective Inactive 12754 1M9Z ASN 40 T -6.708 5.002 -13.741 -5.258 3 6308 5463 928 613 Selective Inactive 12755 1M9Z GLN 41 T -6.803 4.957 -13.676 -5.246 3 6456 5490 949 679 Selective Inactive 12756 1M9Z LYS 42 T -7.173 5.693 -13.389 -5.184 3 6460 5465 953 733 Selective Inactive 12757 1M9Z SER 43 E -7.167 5.777 -13.351 -5.18 3 6416 5418 961 785 Selective Inactive 12758 1M9Z CYS 44 E -7.938 5.878 -14.703 -5.275 6 6292 5432 963 822 Selective Inactive 12759 1M9Z MET 45 E -7.736 5.877 -14.308 -5.281 6 6032 5265 966 850 Selective Inactive 12760 1M9Z SER 46 C -7.575 5.544 -14.427 -5.214 6 5578 4971 965 858 Selective Inactive 12761 1M9Z ASN 47 C -7.189 5.316 -14.021 -5.123 3 5034 4573 956 846 Selective Inactive 12762 1M9Z CYS 48 C -7.197 5.271 -14.006 -5.1 3 4451 4021 930 810 Selective Inactive 12763 1M9Z SER 49 C -6.384 5.672 -11.127 -4.107 3 3428 3226 886 724 Selective Inactive 12764 1M9Z ILE 50 C -6.393 5.72 -11.007 -4.042 2 2371 2410 855 653 Selective Inactive 12765 1M9Z THR 51 E -6.2 5.886 -11.148 -4.241 3 1579 1638 862 622 Permissive Inactive 12766 1M9Z SER 52 E -6.022 5.72 -11.243 -4.346 3 1037 1173 887 598 Inactive Inactive 12767 1M9Z ILE 53 E -5.038 3.883 -10.614 -4.383 2 647 785 930 582 Inactive Inactive 12768 1M9Z CYS 54 T -5.061 3.717 -10.758 -4.455 2 461 621 988 594 Inactive Inactive 12769 1M9Z GLU 55 T -4.986 3.941 -10.837 -4.524 2 400 485 1087 650 Inactive Inactive 12770 1M9Z LYS 56 T -5.007 3.867 -10.804 -4.515 2 341 331 1184 701 Inactive Inactive 12771 1M9Z PRO 57 T -5.043 3.785 -10.734 -4.502 2 330 240 1299 776 Inactive Inactive 12772 1M9Z GLN 58 T -6.054 5.27 -11.917 -4.995 3 445 208 1406 843 Inactive Permissive 12773 1M9Z GLU 59 T -6.2 5.715 -11.497 -4.997 3 639 222 1495 914 Inactive Permissive 12774 1M9Z VAL 60 E -8.328 9.177 -12.739 -4.982 5 729 237 1564 949 Inactive Permissive 12775 1M9Z CYS 61 E -9.396 10.259 -13.597 -4.862 6 850 254 1647 1021 Inactive Selective 12776 1M9Z VAL 62 E -10.106 12.332 -12.348 -4.09 7 1025 300 1739 1123 Inactive Selective 12777 1M9Z ALA 63 E -10.124 12.318 -12.21 -4.034 7 1139 305 1822 1263 Permissive Selective 12778 1M9Z VAL 64 E -10.253 12.274 -11.848 -3.881 7 1252 309 1873 1410 Permissive Selective 12779 1M9Z TRP 65 E -12.164 15.732 -13.273 -4.515 7 1380 308 1880 1580 Permissive Selective 12780 1M9Z ARG 66 E -9.947 7.345 -16.234 -5.659 6 1390 290 1859 1748 Permissive Selective 12781 1M9Z LYS 67 E -5.166 4.806 -10.92 -5.282 3 1375 224 1855 1858 Permissive Selective 12782 1M9Z ASN 68 E -4.144 5.821 -9.004 -4.957 2 1374 224 1811 1938 Permissive Selective 12783 1M9Z ASP 69 T -4.126 5.886 -9.038 -4.955 2 1332 218 1790 2037 Permissive Selective 12784 1M9Z GLU 70 T -4.126 5.887 -9.038 -4.956 2 1255 196 1755 2106 Permissive Selective 12785 1M9Z ASN 71 E -4.126 5.887 -9.038 -4.955 2 1112 186 1732 2182 Inactive Selective 12786 1M9Z ILE 72 E -4.238 6.111 -8.642 -4.886 2 917 185 1737 2271 Inactive Selective 12787 1M9Z THR 73 E -6.176 7.905 -10.089 -4.898 3 808 165 1729 2368 Inactive Selective 12788 1M9Z LEU 74 E -10.05 12.916 -12.893 -5.215 7 684 160 1722 2458 Inactive Selective 12789 1M9Z GLU 75 E -12.555 15.378 -16.386 -5.547 8 506 119 1695 2512 Inactive Selective 12790 1M9Z THR 76 E -11.482 13.421 -15.253 -5.497 8 392 190 1660 2436 Inactive Selective 12791 1M9Z VAL 77 E -11.312 13.391 -15.101 -5.338 8 285 334 1616 2296 Inactive Selective 12792 1M9Z CYS 78 E -9.491 11.393 -12.843 -5.018 7 195 605 1584 2103 Inactive Selective 12793 1M9Z HIS 79 E -7.592 9.872 -10.324 -4.369 4 192 733 1555 1888 Inactive Selective 12794 1M9Z ASP 80 T -5.818 8.591 -8.097 -3.874 2 201 935 1510 1704 Inactive Selective 12795 1M9Z PRO 81 T -5.816 8.605 -8.105 -3.874 2 214 1086 1486 1526 Inactive Selective 12796 1M9Z LYS 82 T -5.815 8.609 -8.111 -3.875 2 239 1122 1434 1341 Inactive Selective 12797 1M9Z LEU 83 T -5.816 8.605 -8.105 -3.874 2 300 1184 1400 1182 Inactive Selective 12798 1M9Z PRO 84 T -5.844 8.55 -8.003 -3.851 2 374 1544 1355 1028 Inactive Selective 12799 1M9Z TYR 85 B -8.767 12.291 -11.352 -4.395 5 603 1874 1267 870 Gatekeeper Inactive 12800 1M9Z HIS 86 T -9.255 12.375 -12.784 -4.961 7 690 2016 1213 761 Gatekeeper Inactive 12801 1M9Z ASP 87 T -7.918 11.878 -9.986 -4.518 4 769 2151 1143 597 Gatekeeper Inactive 12802 1M9Z PHE 88 B -7.916 11.887 -9.982 -4.514 4 922 2363 1079 449 Gatekeeper Inactive 12803 1M9Z ILE 89 C -7.68 10.83 -10.435 -4.406 4 942 2348 1007 374 Gatekeeper Inactive 12804 1M9Z LEU 90 T -7.598 10.471 -10.749 -4.421 4 946 2232 965 332 Gatekeeper Inactive 12805 1M9Z GLU 91 T -7.466 9.362 -11.375 -4.421 5 925 1998 939 312 Gatekeeper Inactive 12806 1M9Z ASP 92 T -7.765 7.295 -12.764 -4.372 5 921 1910 940 322 Gatekeeper Inactive 12807 1M9Z ALA 93 T -6.845 6.079 -11.467 -4.103 3 919 1738 948 357 Gatekeeper Inactive 12808 1M9Z ALA 94 T -6.517 5.635 -11.699 -4.312 3 912 1644 937 384 Gatekeeper Inactive 12809 1M9Z SER 95 T -6.501 5.684 -11.713 -4.321 3 964 1785 927 408 Gatekeeper Inactive 12810 1M9Z PRO 96 C -6.519 5.762 -11.64 -4.327 3 987 1843 896 421 Gatekeeper Inactive 12811 1M9Z THR 97 C -6.523 5.771 -11.616 -4.328 3 1013 1533 860 421 Inactive Inactive 12812 1M9Z CYS 98 E -6.886 5.788 -12.042 -4.584 3 887 1253 865 425 Inactive Inactive 12813 1M9Z ILE 99 E -8.133 8.67 -12.738 -4.81 5 1106 1284 865 441 Inactive Inactive 12814 1M9Z MET 100 C -8.214 11.215 -12.456 -5.496 5 1402 1330 904 587 Permissive Inactive 12815 1M9Z LYS 101 E -7.511 11.242 -11.47 -5.583 3 1651 1401 984 897 Permissive Inactive 12816 1M9Z GLU 102 E -5.985 9.179 -9.738 -5.147 3 1976 1590 1090 1245 Permissive Gatekeeper 12817 1M9Z LYS 103 E -4.937 7.454 -9.397 -5.114 3 2359 2071 1202 1611 Selective Gatekeeper 12818 1M9Z LYS 104 C -4.327 5.874 -9.596 -5.043 3 2768 2573 1323 1971 Selective Gatekeeper 12819 1M9Z LYS 105 T -4.277 5.968 -9.675 -5.069 3 3204 3111 1424 2315 Selective Selective 12820 1M9Z PRO 106 T -4.275 5.983 -9.674 -5.069 3 3667 3748 1517 2637 Selective Selective 12821 1M9Z GLY 107 T -4.306 5.818 -9.677 -5.066 3 4244 4156 1607 2939 Selective Selective 12822 1M9Z GLU 108 T -4.507 5.3 -9.814 -5.048 3 5056 4745 1694 3240 Selective Selective 12823 1M9Z THR 109 E -5.719 7.363 -10.552 -5.355 3 5982 5604 1770 3536 Selective Selective 12824 1M9Z PHE 110 E -7.327 11.441 -10.288 -5.334 4 7074 6767 1846 3843 Selective Selective 12825 1M9Z PHE 111 E -10.706 17.553 -13.907 -6.862 8 8119 7724 1936 4287 Selective Selective 12826 1M9Z MET 112 E -12.66 16.157 -16.624 -6.024 8 8770 8356 2012 4602 Selective Selective 12827 1M9Z CYS 113 E -12.426 12.11 -18.088 -5.745 8 9135 8903 2038 4734 Selective Selective 12828 1M9Z SER 114 E -10.74 6.719 -17.148 -5.204 6 9432 9284 2012 4594 Selective Selective 12829 1M9Z CYS 115 E -9.118 6.644 -15.079 -5.172 6 9595 9525 1950 4399 Selective Selective 12830 1M9Z SER 116 C -8.775 6.464 -15.109 -5.125 6 9565 9197 1884 4176 Selective Selective 12831 1M9Z SER 117 T -8.764 6.462 -15.17 -5.136 6 9471 8784 1798 3937 Selective Selective 12832 1M9Z ASP 118 T -8.727 6.556 -15.288 -5.203 6 - - - - - - 12833 1M9Z GLU 119 T -8.741 6.573 -15.263 -5.217 6 - - - - - - 12834 1M9Z CYS 120 G -9.142 6.538 -15.606 -5.272 6 - - - - - - 12835 1M9Z ASN 121 G -10.124 7.999 -17.587 -6.171 6 - - - - - - 12836 1M9Z ASP 122 G -10.252 8.466 -17.418 -6.29 6 - - - - - - 12837 1M9Z ASN 123 E -11.123 10.566 -18.077 -6.496 8 - - - - - - 12838 1M9Z ILE 124 E -10.381 17.953 -13.437 -7.064 7 - - - - - - 12839 1M9Z ILE 125 E -8.15 14.78 -10.84 -6.26 7 - - - - - - 12840 1M9Z PHE 126 C -6.162 12.46 -8.538 -5.488 4 - - - - - - 12841 1M9Z SER 127 C -3.592 7.141 -6.575 -4.398 2 - - - - - - 12842 1M9Z GLU 128 C -3.592 7.141 -6.575 -4.398 2 - - - - - - 12843 1M9Z GLU 129 C -3.592 7.141 -6.575 -4.398 2 - - - - - - 12844 1M9Z TYR 130 C -3.592 7.141 -6.575 -4.398 2 - - - - - - 12845 1MFM ALA 1 C -6.155 7.931 -8.228 -3.432 2 - - - - - - 12846 1MFM THR 2 E -6.155 7.931 -8.228 -3.432 2 - - - - - - 12847 1MFM LYS 3 E -6.155 7.931 -8.228 -3.432 2 - - - - - - 12848 1MFM ALA 4 E -6.155 7.931 -8.228 -3.432 2 - - - - - - 12849 1MFM VAL 5 E -8.585 11.204 -10.572 -3.859 4 - - - - - - 12850 1MFM ALA 6 E -8.338 11.057 -10.175 -3.811 4 - - - - - - 12851 1MFM VAL 7 E -6.453 8.738 -8.918 -4.009 4 - - - - - - 12852 1MFM LEU 8 E -4.806 7.611 -7.821 -4.353 2 - - - - - - 12853 1MFM LYS 9 B -3.142 3.582 -7.478 -4.095 2 - - - - - - 12854 1MFM GLY 10 C -2.436 4.225 -6.414 -3.916 1 - - - - - - 12855 1MFM ASP 11 C -2.423 4.285 -6.44 -3.919 1 - - - - - - 12856 1MFM GLY 12 C -2.423 4.282 -6.439 -3.919 1 - - - - - - 12857 1MFM PRO 13 C -2.434 4.222 -6.413 -3.908 1 3520 9358 1427 414 Selective Permissive 12858 1MFM VAL 14 C -2.637 4.55 -5.931 -3.804 1 3070 8585 1402 397 Selective Permissive 12859 1MFM GLN 15 E -4.68 6.819 -7.455 -3.932 2 2749 7876 1335 379 Selective Permissive 12860 1MFM GLY 16 E -6.82 8.201 -10.305 -4.269 4 2629 7635 1271 366 Selective Permissive 12861 1MFM ILE 17 E -8.045 10.738 -11.202 -4.33 4 2324 7078 1209 356 Selective Permissive 12862 1MFM ILE 18 E -8.399 11.168 -11.215 -4.402 5 2065 6484 1119 328 Selective Permissive 12863 1MFM ASN 19 E -8.791 10.485 -11.725 -4.528 5 1934 6016 1055 322 Selective Permissive 12864 1MFM PHE 20 E -10.522 14.618 -11.381 -4.265 7 1973 5860 1027 340 Selective Permissive 12865 1MFM GLU 21 E -10.587 9.366 -16.162 -5.687 6 1917 5500 961 332 Selective Inactive 12866 1MFM GLN 22 E -8.7 6.022 -14.873 -5.316 6 1831 5071 928 317 Selective Inactive 12867 1MFM LYS 23 T -4.681 4.646 -9.525 -4.733 2 1713 4673 906 289 Selective Inactive 12868 1MFM GLU 24 T -4.331 4.875 -9.381 -4.654 2 1645 4740 892 269 Selective Inactive 12869 1MFM SER 25 T -4.298 5.043 -9.363 -4.637 2 1582 5132 898 267 Selective Inactive 12870 1MFM ASN 26 T -4.278 5.167 -9.353 -4.629 2 1551 5587 918 278 Selective Inactive 12871 1MFM GLY 27 T -4.277 5.172 -9.35 -4.628 2 1547 5981 936 285 Selective Inactive 12872 1MFM PRO 28 C -4.695 5.709 -9.171 -4.518 2 1447 5965 986 290 Selective Inactive 12873 1MFM VAL 29 E -5.728 8.331 -9.047 -4.355 2 1310 5547 1035 300 Gatekeeper Permissive 12874 1MFM LYS 30 E -6.257 8.736 -9.082 -4.4 4 1100 5097 1061 305 Gatekeeper Permissive 12875 1MFM VAL 31 E -8.297 12.189 -10.079 -4.095 4 965 4735 1097 317 Gatekeeper Permissive 12876 1MFM TRP 32 E -8.879 12.598 -11.469 -4.388 7 727 4272 1118 317 Gatekeeper Permissive 12877 1MFM GLY 33 E -7.724 9.231 -10.991 -4.368 5 487 3684 1111 301 Gatekeeper Permissive 12878 1MFM SER 34 E -7.703 9.353 -10.955 -4.359 4 351 3107 1164 334 Gatekeeper Permissive 12879 1MFM ILE 35 E -7.329 10.577 -10.192 -4.365 4 270 2591 1188 397 Inactive Permissive 12880 1MFM LYS 36 E -6.291 10.046 -9.053 -4.536 4 224 2122 1219 500 Inactive Permissive 12881 1MFM GLY 37 C -5.374 8.214 -8.727 -4.481 2 208 1768 1257 623 Inactive Permissive 12882 1MFM LEU 38 C -5.241 8.253 -8.733 -4.447 2 160 1147 1287 774 Inactive Selective 12883 1MFM THR 39 C -5.227 8.225 -8.796 -4.449 2 149 643 1325 909 Inactive Selective 12884 1MFM GLU 40 C -5.231 8.171 -8.815 -4.454 2 156 239 1371 1073 Inactive Selective 12885 1MFM GLY 41 E -5.319 7.885 -8.814 -4.435 2 237 170 1412 1215 Inactive Selective 12886 1MFM LEU 42 E -6.071 8.298 -9.252 -4.356 4 337 127 1450 1367 Inactive Selective 12887 1MFM HIS 43 E -7.281 7.436 -11.705 -4.62 3 412 105 1501 1498 Inactive Selective 12888 1MFM GLY 44 E -8.151 7.89 -12.696 -4.964 5 539 131 1549 1607 Inactive Selective 12889 1MFM PHE 45 E -10.981 12.687 -13.758 -4.885 7 985 194 1610 1767 Inactive Selective 12890 1MFM HIS 46 E -12.887 16.562 -15.134 -5.051 8 1249 159 1639 1895 Inactive Selective 12891 1MFM VAL 47 E -12.814 15.638 -17.159 -6.199 8 1487 187 1613 1939 Permissive Selective 12892 1MFM HIS 48 E -11.89 10.43 -18.566 -6.377 8 1797 255 1586 1912 Permissive Selective 12893 1MFM GLU 49 C -7.336 5.864 -13.298 -5.452 3 2126 530 1530 1816 Permissive Selective 12894 1MFM GLU 50 C -5.82 4.708 -11.94 -5.25 3 2471 1225 1457 1683 Permissive Selective 12895 1MFM GLU 51 C -3.821 3.047 -9.163 -4.565 2 2662 1767 1379 1513 Permissive Selective 12896 1MFM ASP 52 C -2.973 2.452 -8.613 -4.472 2 2749 2372 1297 1360 Permissive Selective 12897 1MFM ASN 53 C -2.907 2.534 -8.735 -4.501 2 2741 2844 1217 1190 Selective Selective 12898 1MFM THR 54 C -2.896 2.547 -8.776 -4.504 2 2690 3577 1138 1051 Selective Selective 12899 1MFM ALA 55 T -2.899 2.534 -8.762 -4.499 2 2606 4325 1064 901 Selective Selective 12900 1MFM GLY 56 T -3.036 2.409 -8.658 -4.475 2 2546 4941 979 771 Selective Inactive 12901 1MFM CYS 57 T -4.138 3.214 -9.905 -4.683 2 2411 5185 892 673 Selective Inactive 12902 1MFM THR 58 T -5.203 3.32 -11.172 -4.68 3 1969 5359 806 532 Selective Inactive 12903 1MFM SER 59 T -6.55 3.953 -13.342 -5 3 1706 5512 742 418 Selective Inactive 12904 1MFM ALA 60 T -7.606 6.377 -15.223 -5.97 6 1475 5724 699 345 Selective Inactive 12905 1MFM GLY 61 C -7.906 6.405 -14.386 -5.306 6 1184 6014 659 301 Gatekeeper Inactive 12906 1MFM PRO 62 C -8.126 6.318 -13.202 -4.524 5 886 6420 625 283 Gatekeeper Inactive 12907 1MFM HIS 63 B -9.611 9.898 -13.971 -4.883 6 571 6090 605 272 Gatekeeper Inactive 12908 1MFM PHE 64 C -8.609 12.506 -10.149 -4.349 4 428 6130 572 260 Gatekeeper Inactive 12909 1MFM ASN 65 T -7.824 9.65 -10.654 -4.117 4 433 6004 535 243 Gatekeeper Inactive 12910 1MFM PRO 66 T -7.466 9.29 -10.479 -3.97 4 570 5984 495 224 Gatekeeper Inactive 12911 1MFM LEU 67 T -7.457 9.281 -10.526 -3.975 4 840 5494 477 208 Gatekeeper Inactive 12912 1MFM SER 68 T -7.454 9.275 -10.547 -3.978 4 1197 4998 474 203 Gatekeeper Inactive 12913 1MFM ARG 69 C -7.536 8.784 -10.663 -3.934 4 1505 4556 485 211 Selective Inactive 12914 1MFM LYS 70 C -7.772 9.14 -10.771 -4.019 4 1688 4466 499 242 Selective Inactive 12915 1MFM HIS 71 C -8.506 9.657 -12.623 -4.717 5 1874 4409 513 267 Selective Inactive 12916 1MFM GLY 72 C -8.096 7.468 -13.237 -4.706 5 2087 4553 540 329 Selective Inactive 12917 1MFM GLY 73 T -7.92 6.704 -13.62 -4.725 5 2194 4476 574 430 Selective Inactive 12918 1MFM PRO 74 T -7.908 6.622 -13.7 -4.735 5 2224 4206 616 554 Selective Inactive 12919 1MFM LYS 75 T -8.071 5.47 -14.259 -4.723 5 2235 3541 658 693 Selective Inactive 12920 1MFM ASP 76 T -8.125 5.23 -14.297 -4.732 5 2236 3190 695 841 Selective Gatekeeper 12921 1MFM GLU 77 T -8.629 4.763 -14.921 -4.816 6 2215 2652 742 972 Permissive Gatekeeper 12922 1MFM GLU 78 T -9.941 5.326 -16.517 -5.167 6 2117 2222 796 1112 Permissive Gatekeeper 12923 1MFM ARG 79 T -14.039 8.955 -21.692 -5.871 8 1968 1825 856 1257 Permissive Gatekeeper 12924 1MFM HIS 80 T -12.956 14.391 -15.821 -5.086 8 1685 1666 890 1348 Permissive Gatekeeper 12925 1MFM VAL 81 T -10.67 12.853 -12.883 -4.647 7 1403 1792 931 1393 Permissive Gatekeeper 12926 1MFM GLY 82 T -10.365 12.214 -13.699 -4.946 7 1173 1993 959 1425 Inactive Gatekeeper 12927 1MFM ASP 83 E -10.29 12.307 -13.754 -4.94 7 1014 2067 978 1414 Inactive Gatekeeper 12928 1MFM LEU 84 E -9.11 13.014 -10.981 -4.532 7 849 2139 989 1391 Inactive Gatekeeper 12929 1MFM GLY 85 E -8.422 11.059 -11.055 -4.294 4 685 2175 999 1328 Inactive Gatekeeper 12930 1MFM ASN 86 E -8.399 10.933 -11.139 -4.277 4 587 2191 1012 1229 Inactive Gatekeeper 12931 1MFM VAL 87 E -8.371 10.808 -11.221 -4.249 4 560 2287 1021 1115 Inactive Gatekeeper 12932 1MFM THR 88 E -7.975 8.397 -12.139 -4.277 5 521 2373 1021 985 Inactive Gatekeeper 12933 1MFM ALA 89 E -7.469 5.646 -12.991 -4.436 5 494 2444 1020 849 Inactive Gatekeeper 12934 1MFM ASP 90 T -6.417 4.347 -12.205 -4.598 3 503 2448 1021 752 Inactive Inactive 12935 1MFM LYS 91 T -6.389 4.421 -12.232 -4.587 3 491 2417 1026 650 Inactive Inactive 12936 1MFM ASP 92 T -6.37 4.456 -12.257 -4.575 3 476 2403 1014 541 Inactive Inactive 12937 1MFM GLY 93 T -6.379 4.478 -12.218 -4.571 3 452 2327 981 462 Inactive Inactive 12938 1MFM VAL 94 C -6.404 4.756 -11.959 -4.503 3 348 1949 947 419 Inactive Inactive 12939 1MFM ALA 95 E -7.309 7.854 -11.16 -3.755 5 252 1574 896 382 Inactive Inactive 12940 1MFM ASP 96 E -7.033 9.177 -9.849 -3.695 4 228 1302 861 360 Inactive Inactive 12941 1MFM VAL 97 E -7.091 9.583 -9.509 -3.642 4 214 1020 845 346 Inactive Inactive 12942 1MFM SER 98 E -7.112 9.632 -9.456 -3.643 4 164 674 827 335 Inactive Inactive 12943 1MFM ILE 99 E -7.23 9.796 -9.416 -3.718 4 152 493 814 327 Inactive Inactive 12944 1MFM GLU 100 E -7.306 10.036 -9.538 -3.926 4 126 305 795 323 Inactive Inactive 12945 1MFM ASP 101 E -8.248 10.543 -11.687 -4.431 5 133 206 796 324 Inactive Inactive 12946 1MFM SER 102 T -8.071 11.398 -10.927 -4.322 4 130 129 829 343 Inactive Inactive 12947 1MFM VAL 103 T -8.149 11.76 -10.706 -4.342 4 97 85 876 343 Inactive Inactive 12948 1MFM ILE 104 T -8.187 11.987 -10.599 -4.368 4 95 68 906 371 Inactive Inactive 12949 1MFM SER 105 C -7.68 9.505 -11.723 -4.955 5 88 27 939 414 Inactive Inactive 12950 1MFM LEU 106 C -5.629 9.124 -8.897 -5.043 3 92 19 1019 519 Inactive Inactive 12951 1MFM SER 107 C -5.322 7.815 -9.542 -4.958 3 145 26 1074 621 Inactive Permissive 12952 1MFM GLY 108 T -5.057 8.07 -9.105 -4.762 2 175 28 1136 711 Inactive Permissive 12953 1MFM ASP 109 T -5.055 8.087 -9.106 -4.76 2 177 28 1173 877 Inactive Selective 12954 1MFM HIS 110 T -5.06 8.084 -9.078 -4.756 2 178 27 1191 1073 Inactive Selective 12955 1MFM SER 111 T -5.335 7.475 -9.235 -4.585 2 184 27 1211 1302 Inactive Selective 12956 1MFM ILE 112 T -5.655 8.571 -8.343 -4.412 2 219 29 1227 1529 Inactive Selective 12957 1MFM ILE 113 T -8.271 12.677 -9.63 -4.254 4 260 28 1250 1778 Inactive Selective 12958 1MFM GLY 114 T -9.655 13.51 -11.933 -4.618 7 270 25 1275 2091 Inactive Selective 12959 1MFM ARG 115 E -10.295 13.627 -12.803 -4.746 7 293 19 1288 2355 Inactive Selective 12960 1MFM THR 116 E -10.817 15.137 -12.813 -4.831 7 353 17 1289 2607 Inactive Selective 12961 1MFM LEU 117 E -11.312 15.475 -13.352 -4.655 7 503 65 1301 2831 Inactive Selective 12962 1MFM VAL 118 E -11.559 15.518 -13.489 -4.526 7 704 284 1324 3029 Inactive Selective 12963 1MFM VAL 119 E -11.393 13.874 -14.19 -4.582 7 973 628 1309 3167 Inactive Selective 12964 1MFM HIS 120 E -11.376 13.317 -14.591 -4.659 7 1396 975 1310 3274 Permissive Selective 12965 1MFM GLU 121 C -11.365 11.108 -16.043 -4.893 8 1916 1475 1298 3350 Permissive Selective 12966 1MFM LYS 122 C -11.498 9.378 -17.256 -5.04 6 2519 2067 1292 3258 Permissive Selective 12967 1MFM ALA 123 C -10.91 8.044 -16.881 -4.964 6 3062 2690 1290 3155 Selective Selective 12968 1MFM ASP 124 C -10.709 6.946 -17.364 -5.058 6 3686 3237 1293 3005 Selective Selective 12969 1MFM ASP 125 T -8.118 4.854 -14.48 -5.123 6 4187 3728 1294 2875 Selective Selective 12970 1MFM LEU 126 T -5.393 3.992 -11.022 -4.886 3 4639 4438 1292 2717 Selective Selective 12971 1MFM GLY 127 T -4.384 2.05 -11.604 -5.289 3 5420 5336 1283 2497 Selective Selective 12972 1MFM LYS 128 T -4.121 2.236 -11.571 -5.321 3 5910 5953 1257 2301 Selective Selective 12973 1MFM GLY 129 C -4.065 2.346 -11.652 -5.355 3 6414 6807 1244 2108 Selective Selective 12974 1MFM GLY 130 C -4.065 2.346 -11.653 -5.356 3 6669 7396 1221 1936 Selective Selective 12975 1MFM ASN 131 C -4.131 2.153 -11.729 -5.411 3 6833 7564 1186 1775 Selective Selective 12976 1MFM GLU 132 C -4.583 2.766 -11.717 -5.443 3 6840 7415 1149 1604 Selective Selective 12977 1MFM GLN 133 H -5.486 3.482 -12.498 -5.7 3 6564 7251 1088 1448 Selective Selective 12978 1MFM SER 134 H -7.951 5.58 -15.266 -5.85 6 6146 6908 1055 1301 Selective Selective 12979 1MFM THR 135 H -8.891 7.822 -15.326 -5.699 6 5645 6580 1028 1236 Selective Selective 12980 1MFM LYS 136 H -8.873 7.849 -15.252 -5.647 6 5153 6189 997 1151 Selective Gatekeeper 12981 1MFM THR 137 H -8.399 6.312 -14.353 -5.123 6 4565 5901 963 1078 Selective Gatekeeper 12982 1MFM GLY 138 T -8.167 5.906 -14.478 -5.038 6 4085 5775 923 992 Selective Gatekeeper 12983 1MFM ASN 139 T -8.18 5.844 -14.427 -5.006 6 3607 5187 894 908 Selective Gatekeeper 12984 1MFM ALA 140 T -8.171 5.918 -14.389 -4.987 3 2827 4470 875 822 Selective Gatekeeper 12985 1MFM GLY 141 C -8.168 5.998 -14.318 -4.96 3 - - - - - - 12986 1MFM SER 142 C -8.708 5.883 -14.702 -4.839 6 - - - - - - 12987 1MFM ARG 143 E -9.71 9.494 -14.277 -4.626 6 - - - - - - 12988 1MFM LEU 144 E -9.071 9.137 -12.97 -4.265 5 - - - - - - 12989 1MFM ALA 145 E -8.421 8.705 -11.927 -4.012 5 - - - - - - 12990 1MFM CYS 146 E -8.33 9.116 -12.213 -4.385 5 - - - - - - 12991 1MFM GLY 147 E -7.116 9.996 -10.405 -4.853 4 - - - - - - 12992 1MFM VAL 148 E -5.916 9.684 -7.934 -4.056 2 - - - - - - 12993 1MFM ILE 149 E -4.582 8.685 -5.995 -3.512 1 - - - - - - 12994 1MFM GLY 150 E -2.641 4.892 -4.498 -2.809 1 - - - - - - 12995 1MFM ILE 151 E -2.641 4.892 -4.498 -2.809 1 - - - - - - 12996 1MFM ALA 152 C -2.641 4.892 -4.498 -2.809 1 - - - - - - 12997 1MFM GLN 153 C -2.641 4.892 -4.498 -2.809 1 - - - - - - 12998 1MH1 PRO 1 C -7.036 6.391 -7.146 -1.506 1 - - - - - - 12999 1MH1 GLN 2 E -7.036 6.391 -7.146 -1.506 1 - - - - - - 13000 1MH1 ALA 3 E -7.036 6.391 -7.146 -1.506 1 - - - - - - 13001 1MH1 ILE 4 E -7.036 6.391 -7.146 -1.506 1 - - - - - - 13002 1MH1 LYS 5 E -10.435 9.26 -12.475 -3.158 5 - - - - - - 13003 1MH1 CYS 6 E -9.764 10.99 -9.741 -2.612 4 - - - - - - 13004 1MH1 VAL 7 E -9.704 11.028 -9.888 -2.625 4 - - - - - - 13005 1MH1 VAL 8 E -8.995 10.561 -11.478 -3.965 4 - - - - - - 13006 1MH1 VAL 9 E -8.593 8.512 -11.498 -3.473 5 - - - - - - 13007 1MH1 GLY 10 E -8.015 6.388 -11.54 -3.293 5 - - - - - - 13008 1MH1 ASP 11 T -7.686 6.119 -11.441 -3.375 3 - - - - - - 13009 1MH1 GLY 12 T -7.626 6.318 -11.485 -3.428 3 - - - - - - 13010 1MH1 ALA 13 T -7.666 6.045 -11.453 -3.356 3 1856 4912 1281 662 Selective Selective 13011 1MH1 VAL 14 T -7.728 6.024 -11.451 -3.403 3 1821 4611 1250 695 Selective Selective 13012 1MH1 GLY 15 C -8.012 6.614 -11.386 -3.542 5 1821 4484 1232 733 Selective Selective 13013 1MH1 LYS 16 H -8.933 8.565 -12.078 -3.968 5 1716 3999 1234 797 Selective Selective 13014 1MH1 THR 17 H -10.275 11.565 -13.666 -4.569 7 1625 3550 1246 883 Selective Selective 13015 1MH1 CYS 18 H -10.602 12.255 -12.675 -3.918 7 1501 3241 1257 963 Selective Selective 13016 1MH1 LEU 19 H -11.011 13.416 -12.456 -3.901 7 1354 2863 1259 1005 Selective Selective 13017 1MH1 LEU 20 H -11.567 15.573 -11.808 -3.672 7 1104 2357 1252 1033 Selective Selective 13018 1MH1 ILE 21 H -11.459 15.076 -11.986 -3.617 7 895 1912 1263 1052 Selective Selective 13019 1MH1 SER 22 H -10.667 11.635 -12.813 -4.022 7 626 1548 1277 1040 Selective Selective 13020 1MH1 TYR 23 H -8.216 9.902 -11.495 -4.782 5 429 1301 1281 974 Selective Selective 13021 1MH1 THR 24 H -7.701 9.158 -10.523 -3.988 4 308 1401 1306 908 Selective Selective 13022 1MH1 THR 25 H -7.567 9.341 -10.718 -4.1 4 250 1689 1352 855 Gatekeeper Selective 13023 1MH1 ASN 26 C -7.273 8.544 -10.389 -3.741 4 231 1972 1411 821 Gatekeeper Selective 13024 1MH1 ALA 27 C -6.545 7.644 -9.08 -3.27 2 226 2286 1486 799 Gatekeeper Selective 13025 1MH1 PHE 28 C -6.035 8.946 -8.939 -4.107 2 196 2545 1571 809 Gatekeeper Selective 13026 1MH1 PRO 29 C -4.441 6.465 -5.42 -2.638 1 231 2814 1637 801 Gatekeeper Selective 13027 1MH1 GLY 30 C -3.868 5.125 -5.63 -2.549 1 244 2804 1693 755 Gatekeeper Selective 13028 1MH1 GLU 31 C -3.856 5.149 -5.664 -2.551 1 266 2656 1721 697 Gatekeeper Selective 13029 1MH1 TYR 32 C -3.851 5.185 -5.661 -2.549 1 280 2527 1703 659 Gatekeeper Selective 13030 1MH1 ILE 33 C -3.83 5.431 -5.632 -2.583 1 324 2466 1658 619 Selective Permissive 13031 1MH1 PRO 34 C -4.07 5.001 -5.858 -2.606 1 349 2422 1581 583 Selective Permissive 13032 1MH1 THR 35 C -5.29 9.79 -6.548 -3.368 1 354 2293 1493 545 Selective Permissive 13033 1MH1 VAL 36 C -5.45 10.844 -6.263 -3.588 4 362 2120 1406 528 Selective Permissive 13034 1MH1 PHE 37 C -5.609 11.598 -6.085 -3.866 4 356 1770 1304 501 Selective Permissive 13035 1MH1 ASP 38 C -7.913 10.515 -8.718 -3.052 4 351 1414 1187 476 Selective Permissive 13036 1MH1 ASN 39 E -8.699 10.778 -10.216 -3.614 4 360 1220 1061 444 Selective Permissive 13037 1MH1 TYR 40 E -10.062 12.01 -12.333 -4.041 7 357 1041 940 398 Selective Permissive 13038 1MH1 SER 41 E -9.083 7.499 -10.944 -2.615 5 355 911 811 324 Selective Inactive 13039 1MH1 ALA 42 E -8.819 7.785 -10.779 -2.542 5 332 961 709 267 Selective Inactive 13040 1MH1 ASN 43 E -8.571 7.895 -11.536 -3.197 5 333 1207 628 244 Selective Inactive 13041 1MH1 VAL 44 E -7.98 7.089 -10.665 -2.928 5 389 1542 568 266 Selective Inactive 13042 1MH1 MET 45 E -7.326 7.163 -10.11 -3.211 4 393 1710 549 315 Selective Inactive 13043 1MH1 VAL 46 E -7.055 7.813 -10.122 -3.548 4 395 2028 552 369 Selective Inactive 13044 1MH1 ASP 47 T -6.998 7.936 -10.306 -3.683 4 409 2360 570 410 Selective Inactive 13045 1MH1 GLY 48 T -6.945 8.096 -10.388 -3.808 4 475 2793 611 453 Selective Inactive 13046 1MH1 LYS 49 E -7.015 8.278 -10.415 -3.936 4 477 2897 664 478 Selective Inactive 13047 1MH1 PRO 50 E -7.312 8.986 -10.795 -4.316 4 489 3010 752 502 Selective Inactive 13048 1MH1 VAL 51 E -7.871 9.292 -11.771 -4.807 5 475 2945 831 516 Selective Inactive 13049 1MH1 ASN 52 E -8.246 9.519 -11.661 -4.967 5 457 2857 919 555 Selective Permissive 13050 1MH1 LEU 53 E -10.709 11.929 -11.375 -2.896 7 441 2739 1007 631 Selective Permissive 13051 1MH1 GLY 54 E -10.72 11.92 -11.34 -2.897 7 451 2624 1097 680 Selective Selective 13052 1MH1 LEU 55 E -11.177 12.921 -11.154 -3.058 7 477 2335 1162 706 Selective Selective 13053 1MH1 TRP 56 E -12.851 12.959 -15.776 -4.267 8 517 2094 1185 709 Selective Selective 13054 1MH1 ASP 57 C -11.666 10.696 -14.547 -4.041 6 467 1776 1173 661 Selective Selective 13055 1MH1 THR 58 C -8.571 9.106 -12.648 -5.022 5 467 1646 1156 590 Selective Permissive 13056 1MH1 ALA 59 C -6.997 5.97 -9.636 -3.167 2 437 1360 1140 528 Selective Permissive 13057 1MH1 GLY 60 C -6.64 7.05 -9.18 -3.266 2 416 1076 1126 488 Selective Permissive 13058 1MH1 GLN 61 C -6.634 7.064 -9.208 -3.27 2 356 707 1099 447 Permissive Permissive 13059 1MH1 GLU 62 G -6.517 7.058 -9.221 -3.19 2 342 626 1040 413 Permissive Permissive 13060 1MH1 ASP 63 G -6.459 7.273 -9.227 -3.234 2 320 525 953 378 Permissive Permissive 13061 1MH1 TYR 64 G -6.738 8.196 -9.118 -3.358 4 306 539 871 348 Permissive Inactive 13062 1MH1 ASP 65 T -7.189 8.014 -9.677 -3.326 4 299 528 782 297 Permissive Inactive 13063 1MH1 ARG 66 T -7.201 8.008 -9.626 -3.31 4 289 527 715 224 Inactive Inactive 13064 1MH1 LEU 67 T -7.702 9.301 -10.078 -3.954 4 264 518 654 174 Inactive Inactive 13065 1MH1 ARG 68 G -10.22 8.639 -10.955 -2.043 5 210 503 611 143 Inactive Inactive 13066 1MH1 PRO 69 G -10.218 8.646 -10.964 -2.045 5 149 480 606 133 Inactive Inactive 13067 1MH1 LEU 70 G -10.238 8.636 -10.894 -2.031 5 109 458 628 161 Inactive Inactive 13068 1MH1 SER 71 G -11.985 11.164 -14.447 -3.349 7 71 385 648 218 Inactive Inactive 13069 1MH1 TYR 72 T -10.902 10.762 -13.182 -3.724 7 56 356 650 257 Inactive Inactive 13070 1MH1 PRO 73 T -8.431 9.004 -11.595 -4.274 5 71 343 634 280 Inactive Inactive 13071 1MH1 GLN 74 T -8.424 9.018 -11.605 -4.262 5 78 279 638 311 Inactive Inactive 13072 1MH1 THR 75 T -8.424 9.021 -11.604 -4.263 5 107 296 647 365 Inactive Inactive 13073 1MH1 ASP 76 C -8.424 9.022 -11.602 -4.262 5 152 393 674 431 Inactive Inactive 13074 1MH1 VAL 77 E -8.432 9.001 -11.583 -4.268 5 219 515 697 501 Inactive Inactive 13075 1MH1 SER 78 E -10.955 10.746 -12.547 -3.278 7 241 610 720 614 Inactive Inactive 13076 1MH1 LEU 79 E -12.168 14.493 -12.744 -3.229 7 269 691 733 689 Inactive Gatekeeper 13077 1MH1 ILE 80 E -12.413 15.26 -12.54 -3.185 7 287 754 740 760 Inactive Gatekeeper 13078 1MH1 CYS 81 E -12.745 15.926 -13.029 -3.455 7 299 805 735 798 Permissive Gatekeeper 13079 1MH1 PHE 82 E -12.555 16.393 -12.549 -3.591 7 308 858 722 809 Permissive Gatekeeper 13080 1MH1 SER 83 E -10.963 13.715 -12.557 -4.311 7 313 852 690 788 Permissive Gatekeeper 13081 1MH1 LEU 84 T -10.199 12.033 -10.677 -2.948 4 319 860 680 747 Permissive Gatekeeper 13082 1MH1 VAL 85 T -9.666 10.33 -10.782 -2.749 4 322 869 697 749 Permissive Gatekeeper 13083 1MH1 SER 86 T -9.646 10.366 -10.831 -2.756 4 312 911 747 796 Selective Gatekeeper 13084 1MH1 PRO 87 H -9.643 10.352 -10.856 -2.761 4 297 1031 805 860 Gatekeeper Gatekeeper 13085 1MH1 ALA 88 H -9.701 10.001 -10.718 -2.605 4 269 988 866 940 Gatekeeper Gatekeeper 13086 1MH1 SER 89 H -9.923 9.369 -11.068 -2.686 5 226 873 915 1035 Inactive Selective 13087 1MH1 PHE 90 H -11.395 11.595 -13.434 -3.495 7 159 715 978 1131 Inactive Selective 13088 1MH1 GLU 91 H -11.239 9.455 -14.184 -3.46 6 138 605 1033 1197 Inactive Selective 13089 1MH1 ASN 92 H -11.327 9.043 -14.279 -3.445 6 111 493 1092 1275 Inactive Selective 13090 1MH1 VAL 93 H -11.404 8.804 -13.847 -3.158 5 101 415 1139 1360 Inactive Selective 13091 1MH1 ARG 94 H -11.419 8.682 -13.823 -3.14 5 91 358 1207 1489 Inactive Selective 13092 1MH1 ALA 95 H -11.423 8.646 -13.812 -3.136 5 86 328 1289 1647 Inactive Selective 13093 1MH1 LYS 96 H -13.527 11.852 -16.706 -4.157 8 83 336 1371 1837 Inactive Selective 13094 1MH1 TRP 97 H -14.361 15.7 -17.058 -5.238 8 109 737 1436 1953 Inactive Selective 13095 1MH1 TYR 98 H -13.873 14.501 -16.317 -4.663 8 116 953 1493 1983 Gatekeeper Selective 13096 1MH1 PRO 99 H -12.262 10.342 -14.209 -3.099 7 145 1168 1508 1935 Gatekeeper Selective 13097 1MH1 GLU 100 H -11.845 10.727 -13.835 -3.113 7 210 1304 1513 1870 Gatekeeper Selective 13098 1MH1 VAL 101 H -10.889 10.468 -12.434 -2.992 7 389 1748 1516 1768 Selective Selective 13099 1MH1 ARG 102 H -10.27 8.376 -12.961 -2.991 5 543 2308 1519 1658 Selective Selective 13100 1MH1 HIS 103 H -6.536 5.906 -10.894 -4.398 3 707 2858 1535 1594 Selective Selective 13101 1MH1 HIS 104 H -6.382 6.095 -10.502 -4.089 2 888 3483 1567 1519 Selective Selective 13102 1MH1 CYS 105 H -6.192 5.931 -10.006 -3.638 2 1116 4230 1569 1536 Selective Selective 13103 1MH1 PRO 106 T -6.053 6.549 -9.25 -3.299 2 1356 5024 1591 1564 Selective Selective 13104 1MH1 ASN 107 T -6.045 6.636 -9.219 -3.287 2 1468 5224 1595 1611 Selective Selective 13105 1MH1 THR 108 T -6.383 7.205 -7.93 -2.429 2 1611 5315 1576 1661 Selective Selective 13106 1MH1 PRO 109 C -6.539 7.349 -7.552 -2.242 1 1721 5382 1575 1718 Selective Selective 13107 1MH1 ILE 110 E -6.939 9.139 -6.454 -2.052 1 1798 4981 1569 1837 Selective Selective 13108 1MH1 ILE 111 E -8.535 12.665 -7.298 -2.48 4 1850 4742 1559 2041 Selective Selective 13109 1MH1 LEU 112 E -10.563 16.065 -9.767 -3.09 7 1863 4442 1568 2306 Selective Selective 13110 1MH1 VAL 113 E -10.791 15.039 -10.339 -2.967 7 1857 4188 1580 2569 Selective Selective 13111 1MH1 GLY 114 E -10.809 14.863 -10.495 -3.038 7 1717 3744 1601 2763 Selective Selective 13112 1MH1 THR 115 E -11.136 13.957 -12.134 -3.64 7 1577 3183 1613 2897 Selective Selective 13113 1MH1 LYS 116 C -11.655 13.694 -14.554 -4.784 7 1430 2626 1581 2966 Selective Selective 13114 1MH1 LEU 117 H -11.723 13.594 -14.907 -4.987 8 1264 2000 1526 3004 Selective Selective 13115 1MH1 ASP 118 H -11.645 10.653 -16.553 -5.176 6 1048 1253 1478 2911 Selective Selective 13116 1MH1 LEU 119 H -11.621 10.331 -16.621 -5.093 6 830 450 1416 2780 Permissive Selective 13117 1MH1 ARG 120 H -10.494 6.467 -15.157 -3.993 6 752 236 1359 2587 Permissive Selective 13118 1MH1 ASP 121 H -7.694 5.469 -11.204 -3.601 3 673 109 1303 2390 Permissive Selective 13119 1MH1 ASP 122 C -7.515 5.961 -11.091 -3.532 3 560 18 1232 2154 Permissive Selective 13120 1MH1 LYS 123 H -7.483 6.036 -11.254 -3.605 3 448 6 1159 1925 Permissive Selective 13121 1MH1 ASP 124 H -7.481 6.04 -11.265 -3.604 3 384 4 1076 1657 Permissive Selective 13122 1MH1 THR 125 H -7.484 6.042 -11.247 -3.603 3 327 4 1001 1365 Permissive Selective 13123 1MH1 ILE 126 H -8.187 7.367 -11.427 -3.614 5 277 1 901 1076 Inactive Selective 13124 1MH1 GLU 127 H -9.169 7.406 -14.214 -4.805 6 267 0 808 857 Inactive Gatekeeper 13125 1MH1 LYS 128 H -10.594 7.21 -14.415 -3.567 6 273 13 716 672 Inactive Gatekeeper 13126 1MH1 LEU 129 H -11.369 7.352 -16.466 -3.996 6 266 22 641 504 Inactive Inactive 13127 1MH1 LYS 130 H -9.931 4.059 -14.88 -3.513 6 297 138 570 363 Inactive Inactive 13128 1MH1 GLU 131 H -9.238 4.807 -13.638 -3.294 5 303 208 520 281 Permissive Inactive 13129 1MH1 LYS 132 C -8.314 7.536 -10.791 -3.054 5 293 382 473 224 Inactive Inactive 13130 1MH1 LYS 133 C -7.803 10.138 -9.909 -3.637 4 276 444 424 193 Inactive Inactive 13131 1MH1 LEU 134 C -7.701 10.391 -9.545 -3.434 4 243 665 382 154 Inactive Inactive 13132 1MH1 THR 135 C -7.707 10.57 -9.43 -3.425 4 256 800 349 127 Inactive Inactive 13133 1MH1 PRO 136 C -7.732 10.879 -9.241 -3.43 4 262 863 315 98 Inactive Inactive 13134 1MH1 ILE 137 C -7.91 11.892 -8.997 -3.59 4 263 866 287 79 Inactive Inactive 13135 1MH1 THR 138 C -7.514 9.312 -10.709 -4.394 4 253 869 259 66 Inactive Inactive 13136 1MH1 TYR 139 H -7.575 9.008 -11.116 -4.635 5 238 914 244 46 Gatekeeper Inactive 13137 1MH1 PRO 140 H -7.539 8.847 -11.136 -4.535 5 227 1081 235 29 Gatekeeper Inactive 13138 1MH1 GLN 141 H -7.543 8.825 -11.147 -4.549 5 208 1087 237 24 Gatekeeper Inactive 13139 1MH1 GLY 142 H -7.552 8.808 -11.162 -4.573 5 197 1102 247 27 Gatekeeper Inactive 13140 1MH1 LEU 143 H -8.507 8.881 -11.493 -3.606 5 158 995 268 35 Gatekeeper Inactive 13141 1MH1 ALA 144 H -8.526 8.793 -11.548 -3.613 5 140 927 294 51 Gatekeeper Inactive 13142 1MH1 MET 145 H -8.788 9.706 -11.772 -3.996 5 127 760 322 73 Inactive Inactive 13143 1MH1 ALA 146 H -8.298 8.535 -10.963 -3.394 5 132 716 353 97 Inactive Inactive 13144 1MH1 LYS 147 H -7.583 8.691 -9.644 -3.233 4 118 498 385 115 Inactive Inactive 13145 1MH1 GLU 148 H -7.175 9.108 -9.764 -3.743 4 115 364 409 129 Inactive Inactive 13146 1MH1 ILE 149 H -6.578 9.63 -7.548 -2.965 4 132 304 430 140 Inactive Inactive 13147 1MH1 GLY 150 C -6.554 9.73 -7.558 -2.966 4 145 301 455 146 Inactive Inactive 13148 1MH1 ALA 151 C -6.57 9.815 -7.473 -2.967 4 168 298 463 148 Inactive Inactive 13149 1MH1 VAL 152 C -6.651 9.971 -7.231 -2.938 4 175 257 488 153 Inactive Inactive 13150 1MH1 LYS 153 E -6.803 10.096 -6.403 -2.553 1 157 91 489 152 Inactive Inactive 13151 1MH1 TYR 154 E -8.397 12.434 -7.876 -3.003 4 159 74 481 151 Inactive Inactive 13152 1MH1 LEU 155 E -9.803 15.55 -8.254 -3.097 4 160 51 475 145 Inactive Inactive 13153 1MH1 GLU 156 E -11.027 16.469 -10.749 -4.045 7 158 44 469 136 Inactive Inactive 13154 1MH1 CYS 157 C -10.288 9.755 -12.441 -3.527 5 162 47 450 121 Inactive Inactive 13155 1MH1 SER 158 T -9.813 9.521 -13.576 -4.352 5 158 40 438 112 Inactive Inactive 13156 1MH1 ALA 159 T -9.434 9.085 -12.622 -3.727 5 140 22 429 116 Inactive Inactive 13157 1MH1 LEU 160 T -8.486 6.883 -11.635 -3.319 5 125 19 432 159 Inactive Inactive 13158 1MH1 THR 161 T -8.459 6.951 -11.682 -3.323 5 115 18 446 216 Inactive Inactive 13159 1MH1 GLN 162 T -8.485 6.832 -11.659 -3.317 5 96 15 472 282 Inactive Inactive 13160 1MH1 ARG 163 T -7.953 8.384 -11.297 -3.93 5 85 15 508 376 Inactive Inactive 13161 1MH1 GLY 164 T -7.736 9.059 -10.318 -3.579 4 79 15 553 500 Inactive Inactive 13162 1MH1 LEU 165 H -7.885 9.867 -10.007 -3.682 4 96 12 601 643 Inactive Gatekeeper 13163 1MH1 LYS 166 H -7.894 9.9 -9.962 -3.685 4 105 13 670 799 Inactive Gatekeeper 13164 1MH1 THR 167 H -7.894 9.901 -9.958 -3.685 4 107 25 764 974 Inactive Gatekeeper 13165 1MH1 VAL 168 H -8.379 10.471 -8.407 -2.808 4 161 341 865 1153 Inactive Gatekeeper 13166 1MH1 PHE 169 H -11.064 14.808 -10.22 -2.884 7 - - - - - - 13167 1MH1 ASP 170 H -11.499 13.446 -11.105 -2.942 7 - - - - - - 13168 1MH1 GLU 171 H -12.977 16.431 -14.474 -4.593 7 - - - - - - 13169 1MH1 ALA 172 H -12.235 16.405 -13.783 -4.959 8 - - - - - - 13170 1MH1 ILE 173 H -10.508 14.346 -11.818 -4.767 7 - - - - - - 13171 1MH1 ARG 174 H -8.915 10.018 -11.159 -4.102 5 - - - - - - 13172 1MH1 ALA 175 H -4.865 8.42 -5.017 -2.88 1 - - - - - - 13173 1MH1 VAL 176 H -3.438 6.38 -3.762 -2.326 1 - - - - - - 13174 1MH1 LEU 177 C -2.184 4.188 -2.656 -1.711 1 - - - - - - 13175 1MH1 CYS 178 C 0.55 1.253 -1.612 -2.241 1 - - - - - - 13176 1MH1 PRO 179 C 0.55 1.253 -1.612 -2.241 1 - - - - - - 13177 1MH1 PRO 180 C 0.55 1.253 -1.612 -2.241 1 - - - - - - 13178 1MH1 PRO 181 C 0.55 1.253 -1.612 -2.241 1 - - - - - - 13179 1MH9 ARG 34 C -8.26 8.906 -9.911 -3.074 4 - - - - - - 13180 1MH9 ALA 35 C -8.26 8.906 -9.911 -3.074 4 - - - - - - 13181 1MH9 LEU 36 E -8.26 8.906 -9.911 -3.074 4 - - - - - - 13182 1MH9 ARG 37 E -8.26 8.906 -9.911 -3.074 4 - - - - - - 13183 1MH9 VAL 38 E -10.651 12.223 -12.206 -3.772 7 - - - - - - 13184 1MH9 LEU 39 E -12.485 16.551 -14.293 -4.836 8 - - - - - - 13185 1MH9 VAL 40 E -12.251 14.416 -15.562 -5.197 8 - - - - - - 13186 1MH9 ASP 41 C -11.904 13.052 -16.158 -5.316 8 - - - - - - 13187 1MH9 MET 42 T -11.748 13.522 -15.857 -5.279 8 - - - - - - 13188 1MH9 ASP 43 T -11.389 13.45 -14.693 -4.833 7 - - - - - - 13189 1MH9 GLY 44 T -10.88 13.834 -13.272 -4.454 7 - - - - - - 13190 1MH9 VAL 45 T -10.898 14.011 -13.076 -4.398 7 - - - - - - 13191 1MH9 LEU 46 T -10.947 14.256 -12.743 -4.305 7 173 504 1067 7711 Inactive Selective 13192 1MH9 ALA 47 B -10.929 14.22 -12.827 -4.341 7 159 512 1081 7842 Inactive Selective 13193 1MH9 ASP 48 T -10.344 12.995 -13.789 -5.292 7 137 542 1111 7848 Inactive Selective 13194 1MH9 PHE 49 H -10.492 12.722 -14.269 -5.634 8 121 883 1146 7726 Inactive Selective 13195 1MH9 GLU 50 H -10.48 12.714 -14.325 -5.643 8 134 1306 1172 7375 Gatekeeper Selective 13196 1MH9 GLY 51 H -10.335 12.769 -14.187 -5.455 8 139 1729 1162 6770 Gatekeeper Selective 13197 1MH9 GLY 52 H -10.349 12.731 -14.17 -5.458 8 147 1972 1146 6041 Gatekeeper Selective 13198 1MH9 PHE 53 H -11.118 13.392 -14.002 -4.909 7 186 2559 1111 5317 Gatekeeper Selective 13199 1MH9 LEU 54 H -11.156 13.188 -13.94 -4.857 7 187 2779 1064 4688 Gatekeeper Selective 13200 1MH9 ARG 55 H -11.19 13.097 -13.83 -4.781 7 198 3053 1030 4119 Gatekeeper Gatekeeper 13201 1MH9 LYS 56 H -12.402 14.976 -15.126 -4.853 8 202 3313 995 3598 Gatekeeper Gatekeeper 13202 1MH9 PHE 57 H -11.366 17.271 -11.915 -4.697 7 232 3833 935 2967 Gatekeeper Gatekeeper 13203 1MH9 ARG 58 H -9.093 11.39 -11.046 -4.121 4 237 3850 879 2312 Gatekeeper Gatekeeper 13204 1MH9 ALA 59 H -7.921 8.777 -11.318 -4.265 5 241 3823 824 1748 Gatekeeper Gatekeeper 13205 1MH9 ARG 60 H -7.837 8.987 -11.504 -4.382 5 250 3852 768 1274 Gatekeeper Inactive 13206 1MH9 PHE 61 T -7.521 9.733 -11.212 -4.566 5 268 3913 728 905 Gatekeeper Inactive 13207 1MH9 PRO 62 T -7.342 9.979 -11.148 -4.627 5 309 3773 696 632 Gatekeeper Inactive 13208 1MH9 ASP 63 T -7.359 10.011 -11.162 -4.667 5 308 3378 674 472 Gatekeeper Inactive 13209 1MH9 GLN 64 T -7.593 10.885 -11.066 -4.859 4 347 3108 661 443 Selective Inactive 13210 1MH9 PRO 65 C -7.621 11.15 -10.838 -4.809 4 458 3128 657 474 Selective Inactive 13211 1MH9 PHE 66 C -7.761 12.347 -10.313 -4.72 4 510 2600 666 531 Selective Inactive 13212 1MH9 ILE 67 C -6.52 9.57 -9.127 -4.367 4 551 2373 672 623 Selective Inactive 13213 1MH9 ALA 68 C -6.522 9.542 -9.128 -4.364 4 584 2083 691 777 Selective Inactive 13214 1MH9 LEU 69 G -6.523 9.532 -9.124 -4.363 4 646 1792 715 984 Selective Inactive 13215 1MH9 GLU 70 G -6.527 9.489 -9.124 -4.364 4 662 1267 752 1201 Selective Inactive 13216 1MH9 ASP 71 G -6.554 9.285 -9.116 -4.353 4 689 1159 806 1422 Permissive Inactive 13217 1MH9 ARG 72 C -10.04 8.96 -14.931 -5.185 6 696 1088 873 1648 Permissive Gatekeeper 13218 1MH9 ARG 73 C -11.743 9.629 -17.604 -5.379 6 702 1020 927 1836 Permissive Gatekeeper 13219 1MH9 GLY 74 C -10.159 12.6 -13.475 -5.342 7 678 917 974 1976 Permissive Gatekeeper 13220 1MH9 PHE 75 C -9.916 13.115 -13.197 -5.307 7 683 895 1025 2110 Permissive Gatekeeper 13221 1MH9 TRP 76 C -9.902 13.079 -13.281 -5.316 7 659 891 1078 2171 Permissive Selective 13222 1MH9 VAL 77 H -9.902 13.08 -13.282 -5.316 7 603 754 1138 2158 Permissive Selective 13223 1MH9 SER 78 H -9.916 13.116 -13.215 -5.318 7 482 518 1152 2097 Permissive Selective 13224 1MH9 GLU 79 H -10.474 13.565 -13.342 -5.283 7 370 474 1155 2017 Permissive Selective 13225 1MH9 GLN 80 H -11.805 11.853 -16.854 -5.565 8 327 501 1178 1904 Permissive Selective 13226 1MH9 TYR 81 H -11.34 13.652 -13.927 -4.73 7 281 539 1200 1731 Inactive Selective 13227 1MH9 GLY 82 H -7.105 6.829 -10.382 -3.788 2 212 553 1211 1522 Inactive Selective 13228 1MH9 ARG 83 H -6.788 6.732 -10.553 -3.801 2 175 585 1242 1325 Inactive Permissive 13229 1MH9 LEU 84 H -6.704 7.076 -10.546 -3.843 2 167 677 1253 1156 Inactive Permissive 13230 1MH9 ARG 85 T -6.686 7.113 -10.601 -3.859 2 174 720 1262 1016 Inactive Permissive 13231 1MH9 PRO 86 T -6.485 7.294 -10.66 -4.015 2 225 810 1287 974 Inactive Permissive 13232 1MH9 GLY 87 T -6.68 7.784 -10.885 -4.225 3 251 768 1307 1058 Inactive Permissive 13233 1MH9 LEU 88 H -6.929 8.424 -10.938 -4.441 5 253 545 1290 1176 Inactive Permissive 13234 1MH9 SER 89 H -7.052 8.227 -11.06 -4.519 5 264 500 1283 1480 Inactive Permissive 13235 1MH9 GLU 90 H -7.083 8.222 -10.989 -4.527 5 295 515 1289 2012 Inactive Selective 13236 1MH9 LYS 91 H -8.006 10.017 -11.67 -4.992 5 425 761 1336 2682 Permissive Selective 13237 1MH9 ALA 92 H -9.538 11.236 -13.182 -4.674 7 554 1052 1366 3490 Permissive Selective 13238 1MH9 ILE 93 H -9.716 10.888 -13.363 -4.665 7 691 1380 1392 4212 Selective Selective 13239 1MH9 SER 94 H -10.513 11.946 -14.214 -4.82 7 789 1700 1414 4882 Selective Selective 13240 1MH9 ILE 95 H -11.03 15.016 -13.613 -4.955 7 884 2052 1434 5514 Selective Selective 13241 1MH9 TRP 96 H -11.225 15.857 -13.847 -5.249 8 990 2384 1442 6083 Selective Selective 13242 1MH9 GLU 97 H -11.371 15.572 -14.541 -5.542 8 1354 2959 1466 6514 Selective Selective 13243 1MH9 SER 98 T -11.681 15.234 -15.325 -5.765 8 1807 4113 1477 6789 Selective Selective 13244 1MH9 LYS 99 T -11.685 15.322 -15.286 -5.775 8 2266 5465 1480 6883 Selective Selective 13245 1MH9 ASN 100 T -11.854 14.589 -15.738 -5.848 8 2850 7183 1491 6808 Selective Selective 13246 1MH9 PHE 101 T -12.411 14.435 -16.341 -5.815 8 3572 8944 1530 6644 Selective Selective 13247 1MH9 PHE 102 T -12.996 17.839 -15.417 -5.606 8 4030 10192 1544 6300 Selective Selective 13248 1MH9 PHE 103 T -11.149 14.107 -13.108 -4.743 7 4224 11153 1519 5743 Selective Selective 13249 1MH9 GLU 104 T -10.529 13.961 -12.466 -4.505 7 4148 11607 1494 5077 Selective Selective 13250 1MH9 LEU 105 T -9.106 11.948 -10.292 -3.623 4 4096 12041 1480 4278 Selective Selective 13251 1MH9 GLU 106 C -6.194 8.79 -8.172 -3.785 2 4057 12362 1451 3571 Selective Selective 13252 1MH9 PRO 107 B -5.842 9.21 -7.895 -3.688 2 4104 12813 1419 2913 Selective Selective 13253 1MH9 LEU 108 T -5.801 9.29 -7.949 -3.687 2 4048 12630 1391 2287 Selective Selective 13254 1MH9 PRO 109 T -5.701 9.052 -8.177 -3.695 2 3987 12465 1356 1704 Selective Selective 13255 1MH9 GLY 110 T -5.67 9.039 -8.253 -3.704 2 3599 11786 1294 1225 Selective Permissive 13256 1MH9 ALA 111 H -5.981 9.235 -8.325 -3.646 2 3128 10581 1232 863 Selective Permissive 13257 1MH9 VAL 112 H -6.474 8.603 -9.337 -3.749 4 2601 9128 1159 622 Selective Permissive 13258 1MH9 GLU 113 H -6.613 8.123 -9.514 -3.771 4 1991 7409 1086 460 Selective Permissive 13259 1MH9 ALA 114 H -7.378 9.083 -9.758 -3.843 4 1213 5646 995 354 Selective Inactive 13260 1MH9 VAL 115 H -9.184 11.872 -11.177 -3.769 4 748 4396 923 299 Selective Inactive 13261 1MH9 LYS 116 H -9.637 11.47 -12.486 -4.163 7 580 3401 888 275 Selective Inactive 13262 1MH9 GLU 117 H -10.126 10.874 -14.293 -4.716 6 559 2672 838 252 Selective Inactive 13263 1MH9 MET 118 H -9.904 10.454 -14.002 -4.697 6 502 1921 808 245 Selective Inactive 13264 1MH9 ALA 119 H -8.327 6.722 -13.035 -4.42 5 436 1231 794 221 Selective Inactive 13265 1MH9 SER 120 H -8.243 6.802 -13.226 -4.489 5 320 436 778 217 Permissive Inactive 13266 1MH9 LEU 121 T -8.205 6.927 -13.304 -4.537 5 298 264 769 229 Inactive Inactive 13267 1MH9 GLN 122 T -8.146 7.193 -13.302 -4.572 5 286 72 760 252 Inactive Inactive 13268 1MH9 ASN 123 T -8.166 7.107 -13.293 -4.573 5 296 78 772 291 Inactive Inactive 13269 1MH9 THR 124 E -8.897 8.752 -14.082 -4.994 6 304 113 783 369 Inactive Inactive 13270 1MH9 ASP 125 E -9.206 9.642 -13.816 -5.03 6 308 156 796 433 Inactive Inactive 13271 1MH9 VAL 126 E -9.475 10.094 -13.377 -4.912 6 349 374 798 500 Permissive Inactive 13272 1MH9 PHE 127 E -11.144 15.589 -13.522 -5.008 7 388 590 805 550 Permissive Inactive 13273 1MH9 ILE 128 E -10.923 14.773 -13.344 -4.872 7 391 667 806 594 Permissive Inactive 13274 1MH9 CYS 129 E -10.675 13.102 -13.973 -4.958 7 333 799 792 645 Permissive Inactive 13275 1MH9 THR 130 E -9.709 10.776 -13.302 -4.702 7 302 880 778 696 Inactive Inactive 13276 1MH9 SER 131 C -9.201 10.732 -12.923 -4.729 5 287 925 778 772 Inactive Inactive 13277 1MH9 PRO 132 C -7.786 10.067 -10.595 -4.37 4 269 1000 778 898 Inactive Inactive 13278 1MH9 ILE 133 T -6.143 8.761 -9.108 -4.408 4 242 991 783 1043 Inactive Inactive 13279 1MH9 LYS 134 T -6.085 8.822 -9.258 -4.44 4 241 1023 795 1210 Inactive Inactive 13280 1MH9 MET 135 T -6.081 8.844 -9.274 -4.446 4 242 1088 795 1397 Inactive Inactive 13281 1MH9 PHE 136 T -6.078 8.861 -9.28 -4.447 4 239 1127 795 1610 Inactive Gatekeeper 13282 1MH9 LYS 137 C -6.108 8.813 -9.228 -4.454 4 226 1098 790 1822 Inactive Gatekeeper 13283 1MH9 TYR 138 H -7.379 9.859 -10.878 -4.783 4 223 1073 796 2075 Inactive Gatekeeper 13284 1MH9 CYS 139 H -8.422 11.97 -11.589 -4.934 5 201 945 800 2306 Inactive Gatekeeper 13285 1MH9 PRO 140 H -8.794 12.316 -11.421 -4.81 7 172 773 794 2594 Inactive Gatekeeper 13286 1MH9 TYR 141 H -9.602 13.951 -11.49 -4.976 7 219 906 794 2830 Inactive Gatekeeper 13287 1MH9 GLU 142 H -11.673 15.659 -14.062 -5.478 8 250 947 795 3058 Inactive Gatekeeper 13288 1MH9 LYS 143 H -13.168 14.637 -17.161 -5.668 8 249 989 797 3218 Inactive Gatekeeper 13289 1MH9 TYR 144 H -13.077 18.364 -14.089 -4.958 8 259 1175 780 3299 Gatekeeper Gatekeeper 13290 1MH9 ALA 145 H -11.232 17.946 -11.164 -4.737 7 247 1165 765 3299 Inactive Gatekeeper 13291 1MH9 TRP 146 H -11.165 18.097 -11.266 -4.766 7 249 1241 740 3271 Gatekeeper Gatekeeper 13292 1MH9 VAL 147 H -10.992 18.686 -11.172 -4.834 7 233 1212 707 3191 Gatekeeper Gatekeeper 13293 1MH9 GLU 148 H -10.095 18.113 -10.722 -5.254 7 191 1160 687 3058 Inactive Gatekeeper 13294 1MH9 LYS 149 H -9.733 17.317 -10.777 -5.135 7 184 1188 655 2874 Gatekeeper Gatekeeper 13295 1MH9 TYR 150 H -9.467 16.373 -10.915 -5.058 7 198 1270 646 2654 Gatekeeper Gatekeeper 13296 1MH9 PHE 151 H -7.741 14.786 -8.258 -4.622 4 194 1300 623 2391 Gatekeeper Gatekeeper 13297 1MH9 GLY 152 C -7.123 12.808 -8.73 -4.505 4 205 1275 600 2129 Gatekeeper Gatekeeper 13298 1MH9 PRO 153 G -6.755 12.138 -8.741 -4.416 4 209 1238 591 1815 Gatekeeper Gatekeeper 13299 1MH9 ASP 154 G -6.751 12.122 -8.768 -4.417 4 169 1029 587 1570 Inactive Gatekeeper 13300 1MH9 PHE 155 G -6.753 12.114 -8.76 -4.416 4 180 858 580 1322 Inactive Inactive 13301 1MH9 LEU 156 G -6.863 11.56 -8.927 -4.376 4 190 735 578 1141 Inactive Inactive 13302 1MH9 GLU 157 G -7.171 11.482 -8.924 -4.331 4 194 504 579 1004 Inactive Inactive 13303 1MH9 GLN 158 G -8.774 12.834 -11.348 -4.528 7 217 438 578 910 Inactive Inactive 13304 1MH9 ILE 159 E -8.577 13.458 -10.347 -4.287 4 268 357 578 805 Inactive Inactive 13305 1MH9 VAL 160 E -8.449 12.843 -10.678 -4.309 4 277 329 578 716 Inactive Inactive 13306 1MH9 LEU 161 E -8.543 12.939 -10.578 -4.311 4 283 294 583 664 Inactive Inactive 13307 1MH9 THR 162 T -8.695 12.732 -10.56 -4.265 4 295 222 597 636 Inactive Inactive 13308 1MH9 ARG 163 T -8.726 12.632 -10.512 -4.249 4 290 135 595 620 Inactive Inactive 13309 1MH9 ASP 164 T -9.335 10.844 -12.215 -4.486 5 309 88 604 624 Inactive Inactive 13310 1MH9 LYS 165 T -10.518 11.699 -15.011 -5.295 6 295 24 622 670 Inactive Inactive 13311 1MH9 THR 166 T -8.317 10.207 -10.749 -4.186 4 303 21 645 706 Inactive Inactive 13312 1MH9 VAL 167 T -7.934 9.739 -10.966 -4.167 4 299 29 663 723 Inactive Inactive 13313 1MH9 VAL 168 T -7.931 9.754 -10.975 -4.168 4 268 33 708 742 Inactive Inactive 13314 1MH9 SER 169 C -7.931 9.76 -10.969 -4.166 4 267 38 757 766 Inactive Inactive 13315 1MH9 ALA 170 C -7.933 9.781 -10.941 -4.159 4 280 129 840 805 Inactive Inactive 13316 1MH9 ASP 171 C -8.355 9.384 -11.241 -4.158 5 282 280 921 851 Inactive Inactive 13317 1MH9 LEU 172 E -10.463 14.772 -12.369 -4.5 7 280 414 1010 924 Inactive Inactive 13318 1MH9 LEU 173 E -10.783 16.431 -11.714 -4.514 7 319 889 1108 989 Permissive Permissive 13319 1MH9 ILE 174 E -11.007 17.475 -11.016 -4.433 7 350 1384 1194 1021 Selective Permissive 13320 1MH9 ASP 175 E -11.838 15.928 -13.872 -4.992 7 538 2423 1269 1029 Selective Permissive 13321 1MH9 ASP 176 C -10.127 13.371 -12.352 -4.866 7 692 3463 1346 1003 Selective Permissive 13322 1MH9 ARG 177 T -6.323 11.379 -7.953 -4.41 4 773 4506 1416 960 Selective Permissive 13323 1MH9 PRO 178 T -4.05 9.299 -6.124 -4.459 2 864 5589 1484 900 Selective Permissive 13324 1MH9 ASP 179 T -3.222 7.502 -6.189 -4.336 2 951 6176 1538 889 Selective Permissive 13325 1MH9 ILE 180 T -3.168 7.661 -6.244 -4.353 2 1058 6804 1599 915 Selective Permissive 13326 1MH9 THR 181 C -3.023 7.073 -6.573 -4.309 2 1213 7424 1658 983 Selective Permissive 13327 1MH9 GLY 182 C -2.521 5.274 -6.612 -4.083 1 1504 8321 1691 1076 Selective Permissive 13328 1MH9 ALA 183 C -2.438 5.122 -6.49 -3.937 1 1619 8651 1692 1219 Selective Permissive 13329 1MH9 GLU 184 T -2.562 4.659 -6.562 -3.823 1 1709 8817 1690 1446 Selective Permissive 13330 1MH9 PRO 185 T -2.58 4.507 -6.551 -3.798 1 1780 9071 1692 1762 Selective Selective 13331 1MH9 THR 186 T -2.646 4.451 -6.4 -3.752 1 1785 8650 1668 2148 Selective Selective 13332 1MH9 PRO 187 T -3.367 5.762 -5.913 -3.432 1 1797 8226 1659 2572 Selective Selective 13333 1MH9 SER 188 C -4.836 5.757 -8.193 -3.795 2 1746 7238 1663 3047 Selective Selective 13334 1MH9 TRP 189 C -7.21 10.419 -9.397 -4.234 4 1786 6257 1683 3572 Selective Selective 13335 1MH9 GLU 190 E -10.987 11.095 -15.57 -5.356 6 1807 5223 1698 4107 Selective Selective 13336 1MH9 HIS 191 E -13.033 13.548 -16.722 -5.175 8 1849 4178 1714 4555 Selective Selective 13337 1MH9 VAL 192 E -12.701 16.845 -13.605 -4.544 7 1907 3612 1741 4860 Selective Selective 13338 1MH9 LEU 193 E -11.954 15.505 -13.982 -4.901 7 1883 2990 1740 5078 Selective Selective 13339 1MH9 PHE 194 E -11.922 15.462 -14.127 -4.935 7 1734 2385 1715 5200 Selective Selective 13340 1MH9 THR 195 C -11.827 14.724 -14.784 -5.069 8 1516 1651 1704 5230 Selective Selective 13341 1MH9 ALA 196 T -11.76 14.293 -15.219 -5.182 8 1397 1337 1678 5123 Selective Selective 13342 1MH9 CYS 197 T -11.816 13.379 -16.076 -5.453 8 1302 1159 1631 4887 Permissive Selective 13343 1MH9 HIS 198 T -11.775 10.476 -18.248 -5.979 8 1188 828 1581 4538 Permissive Selective 13344 1MH9 ASN 199 T -9.245 7.341 -15.042 -5.438 6 1143 860 1543 4122 Permissive Selective 13345 1MH9 GLN 200 T -6.981 9.462 -10.351 -4.933 3 1102 864 1486 3667 Permissive Selective 13346 1MH9 HIS 201 T -5.581 9.528 -8.334 -4.663 2 951 865 1443 3160 Permissive Selective 13347 1MH9 LEU 202 T -4.842 8.68 -7.526 -4.192 2 764 944 1386 2615 Permissive Selective 13348 1MH9 GLN 203 C -3.801 6.904 -6.644 -3.885 2 653 1059 1341 2062 Permissive Selective 13349 1MH9 LEU 204 C -3.797 6.902 -6.665 -3.885 2 516 1144 1282 1592 Permissive Selective 13350 1MH9 GLN 205 T -3.8 6.89 -6.649 -3.88 2 375 1269 1196 1229 Selective Permissive 13351 1MH9 PRO 206 T -3.827 6.765 -6.579 -3.844 2 298 1523 1134 935 Gatekeeper Permissive 13352 1MH9 PRO 207 T -3.909 6.529 -6.484 -3.819 2 290 1517 1093 701 Gatekeeper Permissive 13353 1MH9 ARG 208 T -6.791 6.652 -10.153 -3.84 2 232 1353 1061 537 Gatekeeper Permissive 13354 1MH9 ARG 209 E -9.805 5.727 -15.124 -4.341 6 214 1248 1041 451 Gatekeeper Inactive 13355 1MH9 ARG 210 E -14.152 10.801 -20.65 -5.733 8 200 1113 1046 419 Inactive Inactive 13356 1MH9 LEU 211 E -10.745 14.615 -11.975 -4.591 7 193 1050 1047 370 Inactive Permissive 13357 1MH9 HIS 212 C -9.017 10.987 -11.798 -4.556 5 187 964 1028 319 Inactive Inactive 13358 1MH9 SER 213 T -8.615 10.565 -11.919 -4.531 5 179 888 1013 289 Inactive Inactive 13359 1MH9 TRP 214 T -8.602 10.675 -11.93 -4.547 5 184 834 989 280 Inactive Inactive 13360 1MH9 ALA 215 T -8.489 10.702 -12.132 -4.65 5 - - - - - - 13361 1MH9 ASP 216 T -8.475 10.641 -12.212 -4.671 5 - - - - - - 13362 1MH9 ASP 217 T -8.708 10.779 -12.459 -4.752 5 - - - - - - 13363 1MH9 TRP 218 H -9.213 11.697 -13.026 -5.084 7 - - - - - - 13364 1MH9 LYS 219 H -9.212 11.473 -13.112 -5.059 7 - - - - - - 13365 1MH9 ALA 220 H -9.735 12.389 -13.145 -4.948 7 - - - - - - 13366 1MH9 ILE 221 H -10.015 13.122 -12.767 -4.881 7 - - - - - - 13367 1MH9 LEU 222 H -10.245 11.434 -14.981 -5.592 6 - - - - - - 13368 1MH9 ASP 223 H -8.296 6.319 -14.04 -5.13 6 - - - - - - 13369 1MH9 SER 224 H -7.8 5.937 -13.359 -4.62 5 - - - - - - 13370 1MH9 LYS 225 C -7.8 5.937 -13.359 -4.62 5 - - - - - - 13371 1MH9 ARG 226 C -7.8 5.937 -13.359 -4.62 5 - - - - - - 13372 1MH9 PRO 227 C -7.8 5.937 -13.359 -4.62 5 - - - - - - 13373 1MJ4 SER 3 C -3.086 6.684 -4.599 -3.188 1 - - - - - - 13374 1MJ4 THR 4 C -3.086 6.684 -4.599 -3.188 1 - - - - - - 13375 1MJ4 HIS 5 C -3.086 6.684 -4.599 -3.188 1 - - - - - - 13376 1MJ4 ILE 6 C -3.086 6.684 -4.599 -3.188 1 - - - - - - 13377 1MJ4 TYR 7 C -6.125 11.346 -8.779 -4.78 4 - - - - - - 13378 1MJ4 THR 8 T -6.174 9.793 -9.996 -5.009 3 - - - - - - 13379 1MJ4 LYS 9 T -6.191 9.742 -9.963 -4.998 3 - - - - - - 13380 1MJ4 GLU 10 T -6.211 9.676 -9.891 -4.965 3 - - - - - - 13381 1MJ4 GLU 11 T -6.216 9.658 -9.852 -4.948 3 - - - - - - 13382 1MJ4 VAL 12 T -6.368 8.953 -9.505 -4.627 4 - - - - - - 13383 1MJ4 SER 13 T -9.152 10.425 -12.913 -4.894 5 - - - - - - 13384 1MJ4 SER 14 T -10.751 11.381 -15.884 -5.293 6 - - - - - - 13385 1MJ4 HIS 15 E -8.224 9.886 -11.634 -4.838 5 370 670 886 290 Inactive Inactive 13386 1MJ4 THR 16 E -5.658 8.398 -8.776 -4.567 2 445 920 935 305 Inactive Inactive 13387 1MJ4 SER 17 G -4.712 7.835 -8.69 -4.856 2 509 1094 953 356 Inactive Inactive 13388 1MJ4 PRO 18 G -4.662 8.074 -8.692 -4.871 2 552 1222 984 437 Inactive Permissive 13389 1MJ4 GLU 19 G -4.662 8.074 -8.692 -4.871 2 566 1242 1011 558 Inactive Permissive 13390 1MJ4 THR 20 E -4.663 8.07 -8.685 -4.871 2 571 1260 1020 694 Inactive Permissive 13391 1MJ4 GLY 21 E -4.784 7.999 -8.672 -4.94 2 570 1275 1006 863 Inactive Permissive 13392 1MJ4 ILE 22 E -6.149 10.773 -8.715 -5.037 4 564 1259 984 1054 Inactive Selective 13393 1MJ4 TRP 23 E -10.561 16.367 -12.406 -5.654 7 549 1231 973 1263 Inactive Selective 13394 1MJ4 VAL 24 E -10.36 13.749 -12.187 -4.653 7 530 1163 958 1457 Inactive Selective 13395 1MJ4 THR 25 E -8.493 12.079 -11.494 -5.283 5 478 1023 915 1645 Inactive Gatekeeper 13396 1MJ4 LEU 26 T -8.261 12.373 -11.364 -5.196 7 433 907 884 1923 Inactive Gatekeeper 13397 1MJ4 GLY 27 T -8.251 12.421 -11.383 -5.195 7 366 761 857 2133 Inactive Gatekeeper 13398 1MJ4 SER 28 E -8.251 12.421 -11.383 -5.195 7 311 625 811 2328 Inactive Gatekeeper 13399 1MJ4 GLU 29 E -8.267 12.388 -11.361 -5.211 7 239 376 779 2447 Inactive Gatekeeper 13400 1MJ4 VAL 30 E -8.896 13.113 -11.167 -5.021 7 220 262 790 2526 Inactive Gatekeeper 13401 1MJ4 PHE 31 E -10.475 15.814 -12.379 -5.113 7 248 460 815 2547 Inactive Gatekeeper 13402 1MJ4 ASP 32 T -10.815 17.373 -12.046 -5.075 7 546 1406 871 2542 Inactive Gatekeeper 13403 1MJ4 VAL 33 T -10.202 18.188 -10.732 -4.931 7 944 2504 934 2514 Inactive Gatekeeper 13404 1MJ4 THR 34 T -9.649 17.509 -11.533 -5.619 7 1280 3603 1010 2430 Inactive Selective 13405 1MJ4 GLU 35 T -9.207 16.188 -11.619 -5.474 7 1595 4750 1113 2324 Inactive Selective 13406 1MJ4 PHE 36 G -9.21 16.164 -11.664 -5.494 7 1996 5912 1216 2204 Inactive Selective 13407 1MJ4 VAL 37 G -8.882 14.068 -11.83 -5.051 7 2310 6866 1301 2057 Gatekeeper Selective 13408 1MJ4 ASP 38 G -6.639 7.899 -10.289 -4.513 3 2593 7753 1369 1901 Selective Selective 13409 1MJ4 LEU 39 T -5.403 7.546 -9.217 -4.628 2 2993 8776 1429 1651 Selective Selective 13410 1MJ4 HIS 40 T -5.343 7.546 -9.342 -4.621 2 3414 9904 1459 1467 Selective Selective 13411 1MJ4 PRO 41 T -5.281 7.322 -9.516 -4.573 2 4156 11484 1489 1295 Selective Selective 13412 1MJ4 GLY 42 T -5.26 7.329 -9.588 -4.581 2 4855 12971 1492 1166 Selective Selective 13413 1MJ4 GLY 43 H -5.319 7.283 -9.519 -4.59 2 5169 13988 1479 1071 Selective Selective 13414 1MJ4 PRO 44 H -6.166 6.589 -10.953 -4.415 3 5221 14401 1440 1038 Selective Selective 13415 1MJ4 SER 45 H -6.461 5.933 -11.238 -4.319 3 5149 14388 1370 992 Selective Permissive 13416 1MJ4 LYS 46 H -7.238 7.658 -11.653 -4.802 3 4891 14357 1291 967 Selective Permissive 13417 1MJ4 LEU 47 H -10.129 13.437 -13.482 -4.884 7 4875 14834 1209 998 Selective Selective 13418 1MJ4 MET 48 H -9.632 13.27 -11.985 -4.605 7 4809 15179 1125 992 Selective Permissive 13419 1MJ4 LEU 49 T -8.795 11.991 -11.275 -4.45 5 4819 15787 1021 955 Selective Permissive 13420 1MJ4 ALA 50 T -8.062 10.695 -10.909 -4.338 4 5026 16890 926 949 Selective Inactive 13421 1MJ4 ALA 51 T -8.008 10.845 -10.949 -4.353 4 5184 17890 867 939 Selective Inactive 13422 1MJ4 GLY 52 T -8.004 10.828 -10.983 -4.361 4 5203 18674 795 933 Selective Inactive 13423 1MJ4 GLY 53 B -8.024 10.735 -10.981 -4.351 4 5032 18710 759 912 Selective Inactive 13424 1MJ4 PRO 54 H -8.16 10.525 -10.961 -4.337 4 4443 17773 728 880 Selective Inactive 13425 1MJ4 LEU 55 H -9.263 12.374 -11.925 -4.56 7 3888 16507 698 846 Selective Inactive 13426 1MJ4 GLU 56 H -10.035 12.136 -13.356 -4.675 7 3680 15717 681 793 Selective Inactive 13427 1MJ4 PRO 57 H -10.125 13.535 -12.407 -4.431 7 3736 15289 662 711 Selective Inactive 13428 1MJ4 PHE 58 H -10.57 16.188 -11.616 -4.477 7 3790 14439 644 634 Selective Inactive 13429 1MJ4 TRP 59 H -10.497 15.532 -12.045 -4.593 7 3771 13381 638 549 Selective Inactive 13430 1MJ4 ALA 60 T -8.429 7.488 -12.356 -4.145 5 3514 11793 644 447 Selective Inactive 13431 1MJ4 LEU 61 T -8.41 7.543 -12.425 -4.161 5 3299 10296 675 393 Selective Inactive 13432 1MJ4 TYR 62 G -8.408 7.436 -12.515 -4.182 5 2928 8532 726 384 Selective Inactive 13433 1MJ4 ALA 63 G -8.389 7.455 -12.622 -4.217 5 2438 6480 793 422 Permissive Inactive 13434 1MJ4 VAL 64 G -8.393 7.404 -12.626 -4.215 5 2005 4592 869 512 Inactive Inactive 13435 1MJ4 HIS 65 C -9.823 9.129 -15.346 -5.086 6 1638 2788 956 734 Inactive Permissive 13436 1MJ4 ASN 66 C -9.279 8.169 -14.619 -4.941 6 1413 1628 1029 1004 Inactive Selective 13437 1MJ4 GLN 67 H -9.328 8.019 -14.54 -4.893 6 1270 986 1096 1394 Inactive Selective 13438 1MJ4 SER 68 H -9.421 7.979 -14.338 -4.811 6 - - - - - - 13439 1MJ4 HIS 69 H -9.426 7.979 -14.304 -4.804 6 - - - - - - 13440 1MJ4 VAL 70 H -9.43 7.973 -14.28 -4.8 6 - - - - - - 13441 1MJ4 ARG 71 H -11.273 10.221 -15.917 -4.625 6 - - - - - - 13442 1MJ4 GLU 72 H -10.756 12.288 -14.14 -4.738 7 - - - - - - 13443 1MJ4 LEU 73 H -10.899 12.995 -13.729 -4.791 7 - - - - - - 13444 1MJ4 LEU 74 H -10.92 13.031 -13.631 -4.791 7 - - - - - - 13445 1MJ4 ALA 75 H -10.924 13.017 -13.619 -4.791 7 - - - - - - 13446 1MJ4 GLN 76 C -10.93 13.002 -13.592 -4.791 7 - - - - - - 13447 1MJ4 TYR 77 E -13.091 17.755 -16.434 -6.272 8 - - - - - - 13448 1MJ4 LYS 78 E -13.091 17.755 -16.434 -6.272 8 - - - - - - 13449 1MJ4 ILE 79 E -13.091 17.755 -16.434 -6.272 8 - - - - - - 13450 1MJ4 GLY 80 E -13.091 17.755 -16.434 -6.272 8 - - - - - - 13451 1MWP LEU 28 C -4.554 2.263 -5.526 -1.097 1 - - - - - - 13452 1MWP LEU 29 C -4.554 2.263 -5.526 -1.097 1 - - - - - - 13453 1MWP ALA 30 C -4.554 2.263 -5.526 -1.097 1 - - - - - - 13454 1MWP GLU 31 C -4.554 2.263 -5.526 -1.097 1 - - - - - - 13455 1MWP PRO 32 C -5.969 4.9 -6.728 -1.773 1 - - - - - - 13456 1MWP GLN 33 E -8.09 9.308 -11.164 -4.547 5 - - - - - - 13457 1MWP ILE 34 E -9.83 13.588 -12.205 -4.98 7 - - - - - - 13458 1MWP ALA 35 E -8.954 11.014 -11.848 -4.77 5 - - - - - - 13459 1MWP MET 36 E -8.939 10.958 -11.893 -4.747 5 - - - - - - 13460 1MWP PHE 37 E -8.934 10.929 -11.914 -4.736 5 - - - - - - 13461 1MWP CYS 38 T -8.934 10.925 -11.918 -4.736 5 - - - - - - 13462 1MWP GLY 39 T -8.99 10.578 -12.048 -4.805 5 - - - - - - 13463 1MWP ARG 40 E -10.858 9.057 -13.82 -3.768 5 315 261 806 279 Inactive Inactive 13464 1MWP LEU 41 E -11.558 8.778 -14.048 -3.397 5 323 245 841 342 Inactive Inactive 13465 1MWP ASN 42 E -13.108 7.275 -17.262 -3.78 6 366 247 885 429 Inactive Inactive 13466 1MWP MET 43 E -14.679 12.035 -18.04 -4.232 8 426 247 929 497 Inactive Selective 13467 1MWP HIS 44 E -12.818 10.796 -16.141 -4.306 8 426 320 947 526 Inactive Selective 13468 1MWP MET 45 E -10.804 7.612 -15.897 -4.784 6 430 441 953 527 Inactive Selective 13469 1MWP ASN 46 E -8.021 3.727 -11.391 -2.943 5 460 848 946 526 Inactive Selective 13470 1MWP VAL 47 T -7.368 3.26 -11.045 -2.739 1 472 1162 924 527 Gatekeeper Selective 13471 1MWP GLN 48 T -7.328 3.513 -11.063 -2.781 1 587 1619 902 522 Gatekeeper Gatekeeper 13472 1MWP ASN 49 T -7.322 3.572 -11.094 -2.803 1 675 2082 879 512 Gatekeeper Gatekeeper 13473 1MWP GLY 50 T -7.323 3.565 -11.084 -2.799 1 750 2449 835 485 Gatekeeper Gatekeeper 13474 1MWP LYS 51 E -7.539 3.51 -10.967 -2.743 1 786 2565 772 438 Gatekeeper Gatekeeper 13475 1MWP TRP 52 E -8.857 7.489 -11.746 -3.61 5 855 2784 708 384 Gatekeeper Inactive 13476 1MWP ASP 53 E -9.98 9.185 -14.15 -4.89 6 884 3052 664 332 Gatekeeper Inactive 13477 1MWP SER 54 C -10.472 7.02 -15.611 -4.542 6 921 3244 608 262 Selective Inactive 13478 1MWP ASP 55 T -8.594 6.621 -13.373 -4.624 5 946 3342 558 173 Selective Inactive 13479 1MWP PRO 56 T -8.136 5.536 -12.346 -3.704 5 1011 3552 529 105 Selective Inactive 13480 1MWP SER 57 T -8.073 5.378 -12.435 -3.642 5 1041 3478 515 68 Selective Inactive 13481 1MWP GLY 58 T -7.976 5.226 -12.545 -3.623 5 1066 3354 518 59 Selective Inactive 13482 1MWP THR 59 C -7.955 5.314 -12.588 -3.657 5 1021 2941 524 56 Selective Inactive 13483 1MWP LYS 60 C -7.898 5.242 -12.707 -3.772 5 997 2620 566 55 Selective Inactive 13484 1MWP THR 61 B -6.641 3.191 -9.56 -2.489 1 928 2171 630 92 Selective Inactive 13485 1MWP CYS 62 C -6.432 3.318 -9.637 -2.532 1 929 1744 702 153 Selective Inactive 13486 1MWP ILE 63 C -6.013 3.219 -9.136 -2.374 1 1003 1383 764 185 Selective Inactive 13487 1MWP ASP 64 C -5.384 2.938 -9.961 -3.336 2 1070 1198 814 210 Selective Inactive 13488 1MWP THR 65 C -5.378 2.987 -9.967 -3.344 2 1105 988 859 239 Permissive Inactive 13489 1MWP LYS 66 H -5.446 2.987 -10.057 -3.467 2 1107 755 891 284 Permissive Inactive 13490 1MWP GLU 67 H -5.481 2.952 -10.068 -3.516 2 1089 590 921 323 Permissive Inactive 13491 1MWP GLY 68 H -5.62 2.903 -10.429 -3.854 2 1064 520 936 364 Permissive Permissive 13492 1MWP ILE 69 H -7.811 7.207 -11.597 -4.224 5 978 329 943 406 Permissive Permissive 13493 1MWP LEU 70 H -9.436 7.098 -11.399 -2.594 5 977 359 965 462 Permissive Selective 13494 1MWP GLN 71 H -9.582 6.835 -11.285 -2.557 5 981 383 978 533 Permissive Selective 13495 1MWP TYR 72 H -12.655 12.327 -14.103 -3.431 7 985 401 987 644 Permissive Selective 13496 1MWP CYS 73 H -13.6 12.937 -16.831 -4.273 8 950 407 977 733 Permissive Selective 13497 1MWP GLN 74 H -12.352 11.763 -14.959 -4.144 8 896 396 949 756 Inactive Selective 13498 1MWP GLU 75 H -9.304 10.417 -11.528 -4.106 5 788 351 922 738 Inactive Gatekeeper 13499 1MWP VAL 76 H -8.189 9.554 -7.769 -2.064 4 632 322 917 766 Inactive Gatekeeper 13500 1MWP TYR 77 T -8.063 9.271 -8.08 -2.081 4 469 305 940 808 Inactive Selective 13501 1MWP PRO 78 T -6.258 8.816 -6.539 -2.646 1 306 277 987 836 Inactive Selective 13502 1MWP GLU 79 T -5.149 10.842 -7.357 -5.281 4 237 224 1030 858 Inactive Selective 13503 1MWP LEU 80 T -5.146 10.849 -7.373 -5.283 4 201 198 1092 890 Inactive Selective 13504 1MWP GLN 81 C -5.149 10.856 -7.375 -5.3 4 156 171 1182 926 Inactive Selective 13505 1MWP ILE 82 E -5.149 10.86 -7.373 -5.3 4 124 182 1280 940 Inactive Selective 13506 1MWP THR 83 E -5.238 11.205 -7.538 -5.727 4 89 162 1361 945 Inactive Selective 13507 1MWP ASN 84 E -7.567 10.888 -9.421 -3.93 4 53 156 1448 935 Inactive Selective 13508 1MWP VAL 85 E -6.428 9.984 -7.981 -3.854 4 70 185 1559 912 Inactive Selective 13509 1MWP VAL 86 E -5.722 7.019 -7.122 -2.761 1 108 252 1639 884 Inactive Selective 13510 1MWP GLU 87 E -4.911 6.636 -5.643 -2.34 1 141 341 1700 868 Inactive Selective 13511 1MWP ALA 88 C -4.798 6.313 -5.724 -2.201 1 210 447 1730 855 Inactive Selective 13512 1MWP ASN 89 C -4.256 6.868 -5.548 -2.608 1 250 573 1743 816 Inactive Selective 13513 1MWP GLN 90 C -4.253 6.904 -5.516 -2.592 1 286 671 1721 761 Inactive Selective 13514 1MWP PRO 91 C -4.288 6.982 -5.44 -2.61 1 353 812 1665 705 Inactive Selective 13515 1MWP VAL 92 E -4.466 7.15 -5.548 -2.755 1 412 844 1596 639 Inactive Selective 13516 1MWP THR 93 E -4.53 7.403 -5.478 -2.888 1 510 1037 1511 567 Inactive Selective 13517 1MWP ILE 94 E -6.314 10.625 -6.418 -3.051 1 660 1270 1392 490 Gatekeeper Selective 13518 1MWP GLN 95 E -7.73 9.913 -7.176 -2.087 4 871 1500 1260 431 Gatekeeper Permissive 13519 1MWP ASN 96 C -8.302 9.404 -8.179 -2.411 4 1003 1601 1143 367 Selective Permissive 13520 1MWP TRP 97 C -10.348 13.713 -10.443 -3.47 7 1130 1793 1011 302 Selective Permissive 13521 1MWP CYS 98 B -10.111 7.255 -13.34 -3.436 5 1140 1875 865 208 Selective Inactive 13522 1MWP LYS 99 B -8.978 7.293 -13.124 -4.231 5 1117 1886 751 140 Selective Inactive 13523 1MWP ARG 100 G -8.219 6.885 -13.023 -4.529 5 1111 1929 674 95 Selective Inactive 13524 1MWP GLY 101 G -7.98 6.065 -12.845 -4.188 5 1170 2044 624 66 Selective Inactive 13525 1MWP ARG 102 G -7.979 6.049 -12.856 -4.187 5 1281 2242 589 48 Selective Inactive 13526 1MWP LYS 103 B -7.941 5.814 -12.947 -4.145 5 1403 2487 592 51 Selective Inactive 13527 1MWP GLN 104 T -7.725 5.151 -13.112 -4.176 5 1426 2672 614 80 Selective Inactive 13528 1MWP CYS 105 T -6.54 5.376 -10.863 -4.099 2 1473 2893 657 114 Selective Inactive 13529 1MWP LYS 106 C -6.438 5.392 -10.486 -3.798 2 1447 2861 715 162 Selective Inactive 13530 1MWP THR 107 C -6.183 6.251 -9.129 -3.224 2 1361 2822 798 216 Selective Inactive 13531 1MWP HIS 108 C -6.18 6.288 -9.102 -3.21 2 1194 2804 892 285 Selective Inactive 13532 1MWP PRO 109 E -6.194 6.38 -8.968 -3.176 2 1130 3034 976 360 Selective Permissive 13533 1MWP HIS 110 E -6.608 7.353 -7.283 -2.222 1 1032 2961 1063 439 Selective Selective 13534 1MWP PHE 111 E -6.772 8.015 -6.727 -2.174 1 - - - - - - 13535 1MWP VAL 112 E -8.481 10.858 -8.715 -2.457 4 - - - - - - 13536 1MWP ILE 113 C -8.857 12.663 -8.954 -3.002 4 - - - - - - 13537 1MWP PRO 114 C -9.379 13.261 -8.923 -2.97 4 - - - - - - 13538 1MWP TYR 115 E -10.401 14.324 -7.591 -1.867 7 - - - - - - 13539 1MWP ARG 116 E -9.207 9.24 -12.822 -5.133 6 - - - - - - 13540 1MWP CYS 117 E -5.124 6.276 -7.651 -4.003 2 - - - - - - 13541 1MWP LEU 118 E -3.426 5.175 -4.815 -2.914 1 - - - - - - 13542 1MWP VAL 119 E -0.873 3.243 -1.97 -2.34 1 - - - - - - 13543 1MWP GLY 120 C 0.229 4.018 -2.723 -3.614 1 - - - - - - 13544 1MWP GLU 121 C 0.229 4.018 -2.723 -3.614 1 - - - - - - 13545 1MWP PHE 122 C 0.229 4.018 -2.723 -3.614 1 - - - - - - 13546 1MWP VAL 123 C 0.229 4.018 -2.723 -3.614 1 - - - - - - 13547 1N6H GLY 15 C -2.224 2.195 -6.697 -3.552 1 - - - - - - 13548 1N6H ASN 16 C -2.224 2.195 -6.697 -3.552 1 - - - - - - 13549 1N6H LYS 17 E -2.224 2.195 -6.697 -3.552 1 - - - - - - 13550 1N6H ILE 18 E -2.224 2.195 -6.697 -3.552 1 - - - - - - 13551 1N6H CYS 19 E -3.157 3.069 -7.966 -4.241 2 - - - - - - 13552 1N6H GLN 20 E -5.077 5.242 -10.889 -5.576 3 - - - - - - 13553 1N6H PHE 21 E -8.215 10.71 -13.409 -6.643 6 - - - - - - 13554 1N6H LYS 22 E -12.006 14.368 -18.357 -7.838 8 - - - - - - 13555 1N6H LEU 23 E -10.154 17.474 -9.317 -4.271 7 - - - - - - 13556 1N6H VAL 24 E -10.135 17.405 -9.455 -4.291 7 - - - - - - 13557 1N6H LEU 25 E -10.127 17.368 -9.538 -4.307 7 - - - - - - 13558 1N6H LEU 26 E -10.006 15.986 -10.643 -4.466 7 - - - - - - 13559 1N6H GLY 27 C -9.351 10.192 -13.41 -4.797 5 1274 1200 1686 3071 Selective Selective 13560 1N6H GLU 28 T -8.724 7.675 -14.076 -5.018 6 1287 1233 1698 3369 Selective Selective 13561 1N6H SER 29 T -8.639 7.835 -14.126 -5.028 6 1394 1426 1691 3616 Selective Selective 13562 1N6H ALA 30 T -8.633 7.843 -14.147 -5.03 6 1449 1562 1661 3814 Selective Selective 13563 1N6H VAL 31 T -8.643 7.812 -14.127 -5.029 6 1483 1629 1622 3964 Selective Selective 13564 1N6H GLY 32 C -8.776 7.939 -13.965 -5.047 6 1508 1665 1611 4170 Selective Selective 13565 1N6H LYS 33 H -9.762 9.096 -14.619 -5.116 6 1428 1580 1600 4389 Selective Selective 13566 1N6H SER 34 H -11.151 10.321 -16.337 -5.296 6 1285 1448 1618 4647 Selective Selective 13567 1N6H SER 35 H -11.926 12.74 -16.376 -5.404 8 1228 1426 1642 4885 Selective Selective 13568 1N6H LEU 36 H -12.377 14.422 -15.783 -5.28 8 1171 1425 1658 5002 Selective Selective 13569 1N6H VAL 37 H -12.759 15.811 -14.754 -4.828 8 1161 1466 1672 4989 Selective Selective 13570 1N6H LEU 38 H -12.734 15.992 -14.695 -4.841 8 1139 1499 1650 4846 Selective Selective 13571 1N6H ARG 39 H -10.159 14.414 -12.478 -5.429 7 1092 1482 1612 4582 Selective Selective 13572 1N6H PHE 40 H -8.932 12.361 -11.961 -5.238 7 1049 1380 1589 4323 Selective Selective 13573 1N6H VAL 41 H -7.906 12.395 -10.787 -5.277 4 939 1232 1542 3921 Gatekeeper Selective 13574 1N6H LYS 42 H -7.576 12.211 -11.027 -5.452 4 866 1052 1491 3562 Gatekeeper Selective 13575 1N6H GLY 43 C -7.5 12.197 -11.197 -5.508 4 831 978 1451 3238 Gatekeeper Selective 13576 1N6H GLN 44 C -7.366 12.046 -11.302 -5.524 3 940 1067 1420 2954 Gatekeeper Selective 13577 1N6H PHE 45 C -7.001 11.82 -10.952 -5.586 3 894 1138 1380 2634 Gatekeeper Selective 13578 1N6H HIS 46 T -5.712 7.571 -10.357 -5.253 3 933 1170 1341 2277 Gatekeeper Gatekeeper 13579 1N6H GLU 47 T -5.656 7.348 -10.565 -5.249 3 946 1180 1287 1907 Gatekeeper Gatekeeper 13580 1N6H PHE 48 T -5.643 7.328 -10.625 -5.253 3 959 1178 1228 1542 Selective Inactive 13581 1N6H GLN 49 T -5.621 7.208 -10.722 -5.239 3 873 1016 1165 1263 Gatekeeper Inactive 13582 1N6H GLU 50 C -5.538 6.644 -10.869 -5.094 3 829 901 1093 1060 Gatekeeper Inactive 13583 1N6H SER 51 C -6.158 5.757 -12.031 -4.81 3 800 827 1049 924 Gatekeeper Inactive 13584 1N6H THR 52 T -6.156 6.093 -11.391 -4.453 3 777 764 1017 840 Gatekeeper Inactive 13585 1N6H ILE 53 T -5.894 7.941 -9.761 -4.185 2 743 750 997 791 Gatekeeper Inactive 13586 1N6H GLY 54 T -5.925 8.231 -9.493 -4.121 2 702 752 989 763 Gatekeeper Inactive 13587 1N6H ALA 55 E -6.064 10.518 -8.225 -3.956 4 593 710 1005 752 Gatekeeper Inactive 13588 1N6H ALA 56 E -6.104 10.721 -8.006 -3.928 4 508 621 1008 751 Inactive Inactive 13589 1N6H PHE 57 E -6.247 11.781 -7.464 -3.969 4 295 428 1022 753 Inactive Inactive 13590 1N6H LEU 58 E -6.993 14.222 -7.481 -4.189 4 213 246 1053 789 Inactive Inactive 13591 1N6H THR 59 E -6.335 11.512 -8.461 -4.541 4 147 172 1110 868 Inactive Inactive 13592 1N6H GLN 60 E -6.465 10.673 -9.046 -4.686 4 111 120 1174 985 Inactive Inactive 13593 1N6H THR 61 E -6.135 10.327 -8.97 -4.549 4 79 77 1247 1130 Inactive Inactive 13594 1N6H VAL 62 E -6.088 10.015 -9.142 -4.513 4 91 64 1340 1394 Inactive Inactive 13595 1N6H CYS 63 E -5.604 8.91 -9.19 -4.558 4 95 61 1424 1789 Inactive Permissive 13596 1N6H LEU 64 E -5.675 8.532 -9.798 -4.845 3 107 37 1500 2301 Inactive Selective 13597 1N6H ASP 65 T -5.66 8.467 -10.029 -4.973 3 139 26 1579 2817 Inactive Selective 13598 1N6H ASP 66 T -5.786 8.138 -10.314 -5.124 3 199 32 1657 3304 Inactive Selective 13599 1N6H THR 67 E -5.82 8.15 -10.282 -5.175 3 246 30 1739 3773 Inactive Selective 13600 1N6H THR 68 E -6.801 8.471 -14.738 -7.642 6 293 51 1801 4219 Inactive Selective 13601 1N6H VAL 69 E -7.564 8.141 -15.92 -8.051 6 314 102 1880 4677 Inactive Selective 13602 1N6H LYS 70 E -9.669 12.934 -18.014 -9.397 8 354 181 1941 5130 Inactive Selective 13603 1N6H PHE 71 E -11.499 18.269 -12.852 -5.369 7 457 308 1980 5401 Inactive Selective 13604 1N6H GLU 72 E -11.673 18.717 -12.622 -5.411 7 493 329 1977 5577 Inactive Selective 13605 1N6H ILE 73 E -12.126 19.024 -12.849 -5.177 7 547 370 1966 5623 Inactive Selective 13606 1N6H TRP 74 E -11.78 15.712 -14.144 -5.303 8 605 385 1950 5582 Inactive Selective 13607 1N6H ASP 75 E -11.662 14.836 -14.885 -5.445 8 785 461 1871 5344 Inactive Selective 13608 1N6H THR 76 E -11.03 11.384 -16.292 -5.765 8 881 493 1761 4921 Inactive Selective 13609 1N6H ALA 77 C -10.407 9.189 -16.315 -5.511 6 939 527 1652 4366 Inactive Selective 13610 1N6H GLY 78 C -10.392 9.053 -16.435 -5.527 6 1046 626 1544 3801 Permissive Selective 13611 1N6H GLN 79 C -10.436 8.549 -16.636 -5.541 6 1240 742 1438 3250 Selective Selective 13612 1N6H GLU 80 G -10.433 8.493 -16.632 -5.509 6 1262 780 1324 2724 Selective Gatekeeper 13613 1N6H ARG 81 G -10.58 8.202 -16.516 -5.355 6 1255 814 1209 2214 Selective Gatekeeper 13614 1N6H TYR 82 G -11.519 10.462 -16.668 -4.93 6 1259 801 1084 1687 Selective Inactive 13615 1N6H HIS 83 G -10.231 9.247 -13.54 -3.909 5 1260 732 951 1168 Selective Inactive 13616 1N6H SER 84 G -9.377 8.711 -12.818 -3.798 5 1243 651 837 802 Selective Inactive 13617 1N6H LEU 85 G -9.342 8.966 -12.805 -3.83 5 1295 721 735 499 Selective Inactive 13618 1N6H ALA 86 H -9.344 8.964 -12.793 -3.828 5 1343 792 638 291 Selective Inactive 13619 1N6H PRO 87 H -9.349 8.941 -12.775 -3.822 5 1400 916 545 135 Selective Inactive 13620 1N6H MET 88 H -9.485 8.914 -12.642 -3.82 5 1533 1112 512 77 Selective Inactive 13621 1N6H TYR 89 H -10.934 13.262 -13.1 -4.458 7 1600 1245 518 85 Selective Inactive 13622 1N6H TYR 90 H -10.912 12.782 -13.957 -4.955 7 1607 1305 534 96 Selective Inactive 13623 1N6H ARG 91 H -9.114 8.752 -12.705 -4.276 5 1560 1256 537 111 Selective Inactive 13624 1N6H GLY 92 C -8.471 9.404 -11.834 -4.218 5 1401 1212 547 135 Selective Inactive 13625 1N6H ALA 93 T -8.446 9.562 -11.804 -4.201 5 1416 1178 572 168 Selective Inactive 13626 1N6H GLN 94 T -8.426 9.713 -11.767 -4.184 5 1481 1135 616 216 Selective Inactive 13627 1N6H ALA 95 E -8.347 10.39 -11.296 -4.045 4 1635 1142 674 292 Selective Inactive 13628 1N6H ALA 96 E -8.523 11.066 -10.82 -3.976 4 1695 1160 738 372 Selective Inactive 13629 1N6H ILE 97 E -9.286 14.565 -9.322 -3.417 4 1683 1133 799 479 Selective Inactive 13630 1N6H VAL 98 E -9.395 14.826 -8.958 -3.336 4 1624 1048 869 641 Selective Inactive 13631 1N6H VAL 99 E -9.508 14.987 -8.59 -3.259 4 1533 938 961 891 Selective Inactive 13632 1N6H TYR 100 E -11.52 17.811 -11.944 -4.375 7 1431 799 1085 1260 Selective Inactive 13633 1N6H ASP 101 E -9.745 11.265 -13.406 -5.268 6 1123 525 1181 1702 Permissive Inactive 13634 1N6H ILE 102 T -9.259 10.377 -13.539 -5.138 6 963 362 1299 2234 Permissive Gatekeeper 13635 1N6H THR 103 T -9.135 9.871 -13.984 -5.198 6 905 269 1415 2889 Inactive Selective 13636 1N6H ASN 104 T -9.133 9.865 -14.002 -5.201 6 829 220 1544 3649 Inactive Selective 13637 1N6H GLU 105 H -9.122 9.871 -14.029 -5.198 6 743 132 1661 4526 Inactive Selective 13638 1N6H GLU 106 H -9.37 9.207 -14.361 -5.16 6 657 119 1760 5414 Inactive Selective 13639 1N6H SER 107 H -10.04 8.157 -15.874 -5.423 6 549 106 1839 6178 Inactive Selective 13640 1N6H PHE 108 H -11.263 11.046 -15.808 -5.23 6 377 62 1893 6822 Inactive Selective 13641 1N6H ALA 109 H -11.363 10.894 -15.687 -5.119 6 312 34 1949 7416 Inactive Selective 13642 1N6H ARG 110 H -12.754 10.761 -17.63 -5.072 8 255 15 1990 7924 Inactive Selective 13643 1N6H ALA 111 H -12.602 12.179 -17 -5.085 8 252 9 2006 8238 Inactive Selective 13644 1N6H LYS 112 H -12.515 12.618 -16.953 -5.175 8 280 30 2007 8344 Inactive Selective 13645 1N6H ASN 113 H -12.546 12.504 -16.983 -5.191 8 289 78 1963 8224 Inactive Selective 13646 1N6H TRP 114 H -13.104 16.236 -15.943 -5.412 8 289 129 1931 7916 Inactive Selective 13647 1N6H VAL 115 H -13.069 15.994 -16.133 -5.429 8 301 152 1855 7439 Inactive Selective 13648 1N6H LYS 116 H -12.296 11.161 -17.212 -5.377 8 391 213 1766 6815 Inactive Selective 13649 1N6H GLU 117 H -11.758 10.592 -16.973 -5.363 8 513 324 1667 6060 Inactive Selective 13650 1N6H LEU 118 H -9.578 11.273 -12.475 -4.702 7 701 529 1587 5169 Inactive Selective 13651 1N6H GLN 119 H -9.364 10.426 -13.132 -4.724 5 863 736 1496 4264 Gatekeeper Selective 13652 1N6H ARG 120 H -7.811 7.083 -11.62 -3.98 5 951 988 1455 3491 Selective Selective 13653 1N6H GLN 121 H -5.873 5.4 -9.762 -3.886 2 1056 1377 1442 2871 Selective Selective 13654 1N6H ALA 122 C -5.198 6.398 -8.356 -3.577 2 1204 1837 1426 2316 Selective Selective 13655 1N6H SER 123 T -5.063 6.753 -8.252 -3.559 2 1341 2265 1414 1842 Selective Selective 13656 1N6H PRO 124 T -4.929 7.668 -7.847 -3.571 2 1524 2774 1432 1527 Selective Permissive 13657 1N6H ASN 125 T -4.929 7.717 -7.819 -3.569 2 1585 2853 1465 1365 Selective Permissive 13658 1N6H ILE 126 T -5.058 8.297 -7.364 -3.492 2 1782 3118 1506 1313 Selective Permissive 13659 1N6H VAL 127 E -5.513 9.947 -6.982 -3.562 2 1829 3259 1539 1406 Selective Permissive 13660 1N6H ILE 128 E -5.855 11.365 -6.303 -3.618 4 1838 3329 1591 1597 Selective Permissive 13661 1N6H ALA 129 E -7.831 13.637 -7.697 -3.672 4 1756 3324 1654 1854 Selective Selective 13662 1N6H LEU 130 E -9.836 16.346 -9.909 -3.97 7 1643 3246 1714 2140 Selective Selective 13663 1N6H SER 131 E -10.272 14.543 -12.003 -4.484 7 1494 3106 1755 2328 Selective Selective 13664 1N6H GLY 132 E -10.321 13.77 -12.644 -4.671 7 1370 2931 1788 2443 Selective Selective 13665 1N6H ASN 133 E -10.9 10.875 -16.365 -5.472 8 1289 2685 1754 2480 Selective Selective 13666 1N6H LYS 134 T -9.212 10.931 -12.988 -5.239 6 1178 2296 1682 2396 Selective Selective 13667 1N6H ALA 135 G -6.955 8.638 -10.659 -4.846 3 1006 1838 1618 2285 Selective Selective 13668 1N6H ASP 136 G -5.936 7.036 -10.42 -4.814 3 861 1411 1544 2146 Gatekeeper Selective 13669 1N6H LEU 137 G -5.862 7.118 -10.479 -4.788 3 668 904 1447 1988 Gatekeeper Selective 13670 1N6H ALA 138 G -5.773 7.012 -10.544 -4.71 3 593 804 1323 1798 Gatekeeper Gatekeeper 13671 1N6H ASN 139 G -5.772 7.008 -10.544 -4.707 3 395 495 1209 1607 Inactive Inactive 13672 1N6H LYS 140 G -5.857 6.768 -10.536 -4.687 3 324 302 1099 1368 Inactive Inactive 13673 1N6H ARG 141 C -6.607 6.978 -10.963 -4.382 3 291 207 978 1091 Inactive Inactive 13674 1N6H ALA 142 C -6.919 6.473 -11.008 -4.24 3 270 152 845 785 Inactive Inactive 13675 1N6H VAL 143 C -8.346 9.665 -12.373 -4.688 5 261 119 709 474 Inactive Inactive 13676 1N6H ASP 144 C -7.87 9.256 -12.06 -4.831 5 258 67 583 273 Inactive Inactive 13677 1N6H PHE 145 H -7.879 9.241 -12.036 -4.835 5 261 45 485 140 Inactive Inactive 13678 1N6H GLN 146 H -7.88 9.236 -12.033 -4.835 5 299 42 425 64 Inactive Inactive 13679 1N6H GLU 147 H -7.901 9.187 -11.994 -4.84 5 424 49 406 48 Inactive Inactive 13680 1N6H ALA 148 H -8.109 8.983 -11.925 -4.84 5 571 66 389 44 Inactive Inactive 13681 1N6H GLN 149 H -12.022 9.493 -17.54 -5.068 6 735 79 408 68 Inactive Inactive 13682 1N6H SER 150 H -11.293 9.006 -16.235 -4.819 6 812 81 447 90 Inactive Inactive 13683 1N6H TYR 151 H -10.876 9.282 -16.091 -5.057 6 880 84 498 114 Inactive Inactive 13684 1N6H ALA 152 H -8.682 5.044 -14.302 -4.482 5 1034 82 533 140 Permissive Inactive 13685 1N6H ASP 153 H -8.214 6.099 -13.759 -4.591 5 1260 84 590 180 Permissive Inactive 13686 1N6H ASP 154 H -8.186 6.295 -13.739 -4.59 5 1416 84 658 234 Permissive Inactive 13687 1N6H ASN 155 H -8.188 6.295 -13.727 -4.589 5 1514 83 724 290 Permissive Inactive 13688 1N6H SER 156 C -8.19 6.29 -13.711 -4.585 5 1604 83 796 341 Permissive Inactive 13689 1N6H LEU 157 C -8.519 7.297 -13.305 -4.672 5 1797 78 861 395 Permissive Inactive 13690 1N6H LEU 158 E -9.956 10.638 -13.295 -4.571 7 1812 69 933 447 Permissive Inactive 13691 1N6H PHE 159 E -11.625 17.085 -12.873 -4.749 7 1787 68 984 474 Permissive Inactive 13692 1N6H MET 160 E -11.925 17.276 -13.096 -4.82 7 1659 60 1012 487 Permissive Inactive 13693 1N6H GLU 161 E -12.26 14.976 -16.225 -5.751 8 1495 42 1004 485 Permissive Inactive 13694 1N6H THR 162 C -10.234 10.661 -14.51 -5.373 6 1352 40 971 459 Permissive Inactive 13695 1N6H SER 163 T -9.807 10.064 -14.559 -5.241 6 1304 41 923 432 Permissive Inactive 13696 1N6H ALA 164 T -8.655 10.134 -12.848 -5.188 6 1235 39 868 400 Permissive Inactive 13697 1N6H LYS 165 T -8.279 9.572 -13.223 -5.373 6 1154 39 814 365 Permissive Inactive 13698 1N6H THR 166 T -7.981 9.801 -12.721 -5.219 5 1007 40 750 323 Permissive Inactive 13699 1N6H SER 167 T -7.953 9.787 -12.741 -5.205 5 926 41 698 280 Inactive Inactive 13700 1N6H MET 168 T -7.873 9.743 -12.739 -5.177 5 876 41 662 246 Inactive Inactive 13701 1N6H ASN 169 T -7.848 10.031 -12.478 -5.118 5 - - - - - - 13702 1N6H VAL 170 H -7.982 10.531 -12.08 -4.973 5 - - - - - - 13703 1N6H ASN 171 H -8.28 10.805 -12.163 -4.967 5 - - - - - - 13704 1N6H GLU 172 H -8.35 10.942 -11.984 -4.955 5 - - - - - - 13705 1N6H ILE 173 H -8.583 11.689 -11.5 -4.932 5 - - - - - - 13706 1N6H PHE 174 H -9.94 16.785 -10.643 -4.831 7 - - - - - - 13707 1N6H MET 175 H -8.713 18.502 -8.911 -5.751 7 - - - - - - 13708 1N6H ALA 176 H -6.409 15.736 -5.896 -4.62 4 - - - - - - 13709 1N6H ILE 177 H -5.463 14.063 -5.152 -4.054 4 - - - - - - 13710 1N6H ALA 178 H -4.012 9.726 -4.419 -3.268 1 - - - - - - 13711 1N6H LYS 179 H -4.012 9.726 -4.419 -3.268 1 - - - - - - 13712 1N6H LYS 180 H -4.012 9.726 -4.419 -3.268 1 - - - - - - 13713 1N6H LEU 181 C -4.012 9.726 -4.419 -3.268 1 - - - - - - 13714 1NKR ARG 6 C -8.604 8.769 -10.765 -3.359 5 - - - - - - 13715 1NKR LYS 7 C -8.604 8.769 -10.765 -3.359 5 - - - - - - 13716 1NKR PRO 8 C -8.604 8.769 -10.765 -3.359 5 - - - - - - 13717 1NKR SER 9 E -8.604 8.769 -10.765 -3.359 5 - - - - - - 13718 1NKR LEU 10 E -8.413 11.321 -9.698 -3.789 4 - - - - - - 13719 1NKR LEU 11 E -6.09 7.257 -8.654 -3.702 2 - - - - - - 13720 1NKR ALA 12 E -5.669 7.425 -8.369 -3.588 2 - - - - - - 13721 1NKR HIS 13 E -5.593 7.652 -8.401 -3.613 2 - - - - - - 13722 1NKR PRO 14 T -5.495 8.033 -8.263 -3.586 2 - - - - - - 13723 1NKR GLY 15 T -5.493 8.063 -8.261 -3.591 2 - - - - - - 13724 1NKR PRO 16 C -5.754 8.568 -8.055 -3.53 2 - - - - - - 13725 1NKR LEU 17 E -6.271 9.997 -8.025 -3.616 4 - - - - - - 13726 1NKR VAL 18 E -6.434 10.162 -8.185 -3.703 4 2225 7278 1098 638 Selective Inactive 13727 1NKR LYS 19 E -6.509 8.665 -10.326 -4.642 3 2149 6149 1211 760 Selective Inactive 13728 1NKR SER 20 T -6.505 8.465 -10.457 -4.659 3 1948 5043 1311 881 Selective Inactive 13729 1NKR GLU 21 T -6.501 8.441 -10.485 -4.659 3 1730 3888 1393 981 Gatekeeper Permissive 13730 1NKR GLU 22 b -6.505 8.404 -10.482 -4.651 3 1661 3185 1441 1066 Gatekeeper Permissive 13731 1NKR THR 23 C -6.643 8.242 -10.468 -4.674 3 1511 2450 1488 1142 Gatekeeper Permissive 13732 1NKR VAL 24 E -7.916 9.862 -11.005 -4.346 4 1475 1874 1522 1275 Gatekeeper Permissive 13733 1NKR ILE 25 E -8.713 10.992 -11.185 -4.213 4 1480 1450 1552 1463 Gatekeeper Selective 13734 1NKR LEU 26 E -9.317 12.981 -10.067 -3.899 4 1550 1137 1601 1776 Inactive Selective 13735 1NKR GLN 27 E -11.637 14.14 -13.717 -4.652 7 1510 711 1660 2215 Inactive Selective 13736 1NKR CYS 28 E -11.468 10.089 -16.323 -5.242 6 1746 762 1697 2703 Inactive Selective 13737 1NKR TRP 29 E -10.183 10.608 -14.405 -5.203 6 2000 785 1728 3276 Permissive Selective 13738 1NKR SER 30 E -9.82 11.376 -13.907 -5.177 6 2357 815 1779 3866 Permissive Selective 13739 1NKR ASP 31 T -9.733 11.468 -13.948 -5.181 6 2608 890 1812 4507 Permissive Selective 13740 1NKR VAL 32 T -9.726 11.507 -13.956 -5.184 6 2862 937 1847 5184 Permissive Selective 13741 1NKR MET 33 T -9.756 11.596 -13.839 -5.182 6 3118 1123 1894 5862 Permissive Selective 13742 1NKR PHE 34 T -10.093 12.286 -13.584 -5.171 7 3255 1276 1933 6586 Permissive Selective 13743 1NKR GLU 35 T -10.86 12.284 -14.279 -5.232 6 3319 1273 2010 7270 Permissive Selective 13744 1NKR HIS 36 E -12.34 14.962 -15.033 -5.499 8 3372 1266 2107 7927 Permissive Selective 13745 1NKR PHE 37 E -14.387 19.607 -16.25 -5.635 8 3351 1251 2193 8376 Permissive Selective 13746 1NKR LEU 38 E -14.48 19.413 -16.351 -5.626 8 3224 1148 2243 8591 Permissive Selective 13747 1NKR LEU 39 E -14.314 17 -17.694 -5.775 8 2996 1014 2253 8563 Permissive Selective 13748 1NKR HIS 40 E -14.154 12.479 -20.326 -6.161 8 2647 733 2244 8303 Permissive Selective 13749 1NKR ARG 41 E -12.869 10.666 -18.656 -5.856 8 2344 604 2206 7855 Permissive Selective 13750 1NKR GLU 42 E -7.325 7.059 -12.219 -5.208 3 2031 555 2146 7259 Permissive Selective 13751 1NKR GLY 43 E -7.094 6.857 -12.491 -5.184 3 1592 521 2088 6625 Inactive Selective 13752 1NKR MET 44 T -7.056 6.97 -12.536 -5.184 3 1285 444 2035 5938 Inactive Selective 13753 1NKR PHE 45 T -7.045 7.006 -12.552 -5.177 3 924 393 1945 5178 Inactive Selective 13754 1NKR ASN 46 T -6.895 7.544 -12.136 -5.033 3 642 203 1844 4408 Inactive Selective 13755 1NKR ASP 47 E -7.268 8.116 -12.03 -4.853 3 476 47 1746 3600 Inactive Selective 13756 1NKR THR 48 E -7.471 10.019 -10.805 -4.478 4 353 40 1639 2829 Inactive Selective 13757 1NKR LEU 49 E -7.495 10.335 -10.451 -4.337 4 226 43 1506 2076 Inactive Selective 13758 1NKR ARG 50 E -7.413 10.261 -10.484 -4.3 4 140 38 1386 1489 Inactive Selective 13759 1NKR LEU 51 E -7.484 9.886 -10.539 -4.067 4 137 49 1315 1086 Inactive Inactive 13760 1NKR ILE 52 E -6.458 6.828 -10.57 -4.286 3 144 54 1263 831 Inactive Inactive 13761 1NKR GLY 53 C -5.024 5.229 -9.759 -4.618 2 134 54 1244 667 Inactive Inactive 13762 1NKR GLU 54 E -4.306 4.968 -9.42 -4.713 2 130 50 1252 651 Inactive Inactive 13763 1NKR HIS 55 E -3.614 5.994 -7.888 -4.575 2 121 47 1272 707 Inactive Inactive 13764 1NKR HIS 56 E -3.6 5.996 -7.938 -4.578 2 124 51 1262 803 Inactive Inactive 13765 1NKR ASP 57 T -3.603 5.996 -7.923 -4.58 2 137 59 1236 924 Inactive Inactive 13766 1NKR GLY 58 T -3.655 6.076 -7.761 -4.572 2 140 57 1235 1094 Inactive Inactive 13767 1NKR VAL 59 E -3.813 6.442 -7.29 -4.513 2 117 56 1239 1305 Inactive Gatekeeper 13768 1NKR SER 60 E -5.791 6.199 -10.092 -4.654 3 125 56 1251 1542 Inactive Gatekeeper 13769 1NKR LYS 61 E -7.853 8.871 -12.369 -5.289 5 117 55 1261 1732 Inactive Gatekeeper 13770 1NKR ALA 62 E -9.539 12.988 -13.719 -5.592 8 110 43 1281 1999 Inactive Gatekeeper 13771 1NKR ASN 63 E -9.163 13.46 -11.208 -4.559 7 107 39 1300 2189 Inactive Gatekeeper 13772 1NKR PHE 64 E -9.137 13.552 -10.889 -4.365 7 105 35 1318 2363 Inactive Gatekeeper 13773 1NKR SER 65 E -9.094 13.45 -11.014 -4.361 7 94 30 1346 2594 Inactive Gatekeeper 13774 1NKR ILE 66 E -9.115 13.345 -10.973 -4.303 7 98 27 1375 2899 Inactive Selective 13775 1NKR SER 67 T -9.216 13.106 -11.043 -4.301 7 131 38 1403 3264 Inactive Selective 13776 1NKR ARG 68 T -9.957 12.709 -12.491 -4.308 7 264 66 1430 3583 Inactive Selective 13777 1NKR MET 69 b -10.315 12.062 -13.518 -4.537 7 281 69 1474 3854 Inactive Selective 13778 1NKR THR 70 C -10.07 11.504 -13.882 -4.991 6 290 63 1530 3997 Inactive Selective 13779 1NKR GLN 71 G -9.928 11.347 -14.013 -5.123 6 298 68 1569 4094 Inactive Selective 13780 1NKR ASP 72 G -9.827 11.335 -13.967 -5.08 6 324 73 1619 4119 Inactive Selective 13781 1NKR LEU 73 G -9.84 11.341 -13.912 -5.068 6 331 74 1679 4115 Inactive Selective 13782 1NKR ALA 74 C -9.852 11.317 -13.865 -5.055 6 352 74 1739 4119 Inactive Selective 13783 1NKR GLY 75 E -10.253 11.298 -14.097 -5.039 6 393 99 1789 4021 Inactive Selective 13784 1NKR THR 76 E -10.786 11.246 -14.161 -4.885 7 408 121 1820 3960 Inactive Selective 13785 1NKR TYR 77 E -12.94 15.398 -15.977 -5.395 8 433 143 1806 3850 Inactive Selective 13786 1NKR ARG 78 E -13.449 14.526 -17.789 -5.654 8 435 150 1764 3611 Inactive Selective 13787 1NKR CYS 79 E -12.148 12.985 -15.699 -5.193 8 426 152 1691 3262 Inactive Selective 13788 1NKR TYR 80 E -11.047 13.307 -14.012 -5.04 7 390 138 1590 2807 Inactive Selective 13789 1NKR GLY 81 E -8.06 7.864 -13.165 -5.216 6 275 267 1486 2366 Inactive Selective 13790 1NKR SER 82 E -7.571 7.719 -12.359 -4.767 5 257 281 1377 1935 Inactive Selective 13791 1NKR VAL 83 B -5.591 6.865 -8.715 -3.987 2 234 335 1269 1613 Inactive Gatekeeper 13792 1NKR THR 84 T -4.908 6.595 -8.585 -4.137 2 239 845 1174 1306 Inactive Gatekeeper 13793 1NKR HIS 85 T -4.824 6.416 -8.758 -4.109 2 220 1392 1074 1039 Inactive Inactive 13794 1NKR SER 86 B -4.706 6.379 -8.768 -4.066 2 211 2021 996 789 Gatekeeper Inactive 13795 1NKR PRO 87 T -4.626 6.49 -8.767 -4.077 2 215 2738 909 579 Gatekeeper Inactive 13796 1NKR TYR 88 T -4.739 6.447 -8.841 -4.112 2 303 3285 838 402 Gatekeeper Inactive 13797 1NKR GLN 89 T -5.157 6.461 -9.203 -4.02 2 499 3937 767 252 Gatekeeper Inactive 13798 1NKR VAL 90 C -5.31 6.85 -9.008 -4.051 2 960 4852 714 148 Gatekeeper Inactive 13799 1NKR SER 91 C -5.73 7.482 -9.127 -4.213 2 1273 5806 669 97 Gatekeeper Inactive 13800 1NKR ALA 92 C -6.797 8.691 -10.728 -4.5 5 1609 6768 639 79 Gatekeeper Inactive 13801 1NKR PRO 93 C -7.347 9.08 -11.11 -4.453 5 1857 7679 627 89 Selective Inactive 13802 1NKR SER 94 C -7.955 9.316 -11.33 -4.295 5 1946 7773 632 116 Selective Inactive 13803 1NKR ASP 95 C -8.488 8.729 -12.089 -4.39 5 2036 7901 638 145 Selective Inactive 13804 1NKR PRO 96 C -8.516 8.759 -11.963 -4.368 5 2146 8194 648 179 Selective Inactive 13805 1NKR LEU 97 E -10.225 12.179 -13.011 -4.479 7 2199 7763 652 222 Selective Inactive 13806 1NKR ASP 98 E -10.936 15.225 -12.446 -4.218 7 2226 7265 651 258 Selective Inactive 13807 1NKR ILE 99 E -8.544 16.468 -7.454 -3.996 4 2310 6743 621 280 Selective Inactive 13808 1NKR VAL 100 E -7.857 15.702 -7.523 -4.131 4 2327 6105 593 290 Selective Inactive 13809 1NKR ILE 101 E -7.766 15.73 -7.719 -4.211 4 2207 5555 571 298 Selective Inactive 13810 1NKR ILE 102 E -7.521 14.965 -8.339 -4.455 4 2007 4971 571 297 Selective Inactive 13811 1NKR GLY 103 C -7.416 14.428 -8.871 -4.613 4 1534 4349 590 295 Gatekeeper Inactive 13812 1NKR LEU 104 C -7.496 14.071 -9.188 -4.728 4 1388 4298 602 291 Gatekeeper Inactive 13813 1NKR TYR 105 C -7.77 13.303 -10.172 -5.046 4 1228 4312 622 287 Gatekeeper Inactive 13814 1NKR GLU 106 C -7.801 12.722 -10.503 -5.064 4 1318 4454 634 274 Gatekeeper Inactive 13815 1NKR LYS 107 C -8.254 11.801 -11.673 -5.205 5 1622 5400 641 251 Gatekeeper Inactive 13816 1NKR PRO 108 C -8.647 11.805 -11.369 -4.401 5 2052 6593 644 229 Selective Inactive 13817 1NKR SER 109 E -8.638 11.071 -11.53 -4.227 4 2342 7425 655 204 Selective Inactive 13818 1NKR LEU 110 E -8.365 10.758 -11.19 -4.017 4 2627 8445 668 172 Selective Inactive 13819 1NKR SER 111 E -7.067 6.764 -10.316 -3.641 2 3041 9542 662 141 Selective Inactive 13820 1NKR ALA 112 E -5.969 6.734 -8.815 -3.499 2 3333 10609 669 119 Selective Inactive 13821 1NKR GLN 113 E -5.483 6.98 -8.6 -3.663 2 3613 11569 694 113 Selective Inactive 13822 1NKR PRO 114 T -4.965 7.807 -7.575 -3.593 2 4079 12703 727 109 Selective Inactive 13823 1NKR GLY 115 T -4.95 7.803 -7.625 -3.596 2 4189 13122 779 127 Selective Inactive 13824 1NKR PRO 116 T -4.962 7.845 -7.569 -3.594 2 4226 13071 802 150 Selective Inactive 13825 1NKR THR 117 E -5.031 8.012 -7.503 -3.624 2 4093 12184 835 190 Selective Inactive 13826 1NKR VAL 118 E -5.197 8.275 -7.246 -3.568 2 3979 11242 877 244 Selective Inactive 13827 1NKR LEU 119 T -5.904 6.523 -10.114 -3.996 2 3725 10210 928 300 Selective Inactive 13828 1NKR ALA 120 T -5.933 6.522 -10.176 -4.045 2 3483 9065 983 371 Selective Inactive 13829 1NKR GLY 121 T -5.912 6.686 -10.168 -4.087 2 3230 7759 1035 438 Selective Inactive 13830 1NKR GLU 122 E -6.063 6.508 -10.343 -4.177 2 2997 6582 1092 569 Selective Inactive 13831 1NKR ASN 123 E -6.123 6.458 -10.317 -4.222 2 2779 5484 1180 723 Selective Inactive 13832 1NKR VAL 124 E -7.057 9.285 -10.059 -4.237 4 2573 4341 1291 981 Selective Inactive 13833 1NKR THR 125 E -7.529 10.233 -9.895 -4.407 4 2604 3189 1400 1367 Selective Selective 13834 1NKR LEU 126 E -9.783 13.824 -11.223 -4.37 7 2875 2177 1514 1913 Selective Selective 13835 1NKR SER 127 E -10.764 13.056 -13.106 -4.552 7 3166 1145 1612 2520 Permissive Selective 13836 1NKR CYS 128 E -11.388 9.675 -16.641 -4.985 6 3664 685 1700 3077 Permissive Selective 13837 1NKR SER 129 E -10.438 8.975 -15.516 -4.941 6 4129 415 1798 3672 Permissive Selective 13838 1NKR SER 130 E -10.429 9.112 -15.498 -4.956 6 4546 392 1903 4279 Permissive Selective 13839 1NKR ARG 131 C -10.379 9.441 -15.377 -4.93 6 4823 366 2002 4923 Permissive Selective 13840 1NKR SER 132 T -10.373 9.517 -15.366 -4.937 6 5041 353 2090 5573 Permissive Selective 13841 1NKR SER 133 T -10.442 9.72 -15.157 -4.939 6 5103 318 2162 6199 Permissive Selective 13842 1NKR TYR 134 T -11.548 13.533 -14.811 -5.018 8 5042 295 2245 6839 Permissive Selective 13843 1NKR ASP 135 C -11.762 13.413 -14.353 -4.785 7 4986 291 2305 7283 Permissive Selective 13844 1NKR MET 136 E -12.997 15.88 -15.468 -5.534 8 5025 287 2319 7617 Permissive Selective 13845 1NKR TYR 137 E -14.876 19.195 -17.29 -5.88 8 4974 284 2316 7674 Permissive Selective 13846 1NKR HIS 138 E -15.126 17.493 -18.828 -5.992 8 4600 261 2281 7493 Permissive Selective 13847 1NKR LEU 139 E -11.62 11.14 -16.172 -5.551 8 4022 238 2209 7049 Permissive Selective 13848 1NKR SER 140 E -8.957 6.531 -14.863 -5.313 6 3288 139 2115 6468 Permissive Selective 13849 1NKR ARG 141 E -7.385 5.546 -12.932 -4.926 3 2721 169 1988 5935 Permissive Selective 13850 1NKR GLU 142 T -6.465 4.786 -12.33 -4.886 3 2419 723 1861 5360 Permissive Selective 13851 1NKR GLY 143 T -6.192 5.567 -12.022 -4.962 3 2142 1305 1733 4755 Permissive Selective 13852 1NKR GLU 144 T -6.192 5.567 -12.023 -4.962 3 1975 1805 1591 4098 Selective Selective 13853 1NKR ALA 145 C -6.197 5.559 -11.996 -4.959 3 1833 2443 1455 3429 Selective Selective 13854 1NKR HIS 146 C -6.276 5.571 -11.883 -4.968 3 1886 3480 1348 2771 Selective Selective 13855 1NKR GLU 147 C -6.781 6.899 -11.5 -5.092 3 1954 4592 1243 2111 Selective Gatekeeper 13856 1NKR ARG 148 E -10.986 8.821 -16.205 -4.896 6 2081 5840 1163 1577 Selective Gatekeeper 13857 1NKR ARG 149 E -8.99 9.866 -12.519 -4.599 5 2092 7110 1117 1163 Selective Inactive 13858 1NKR LEU 150 E -6.725 7.492 -11.275 -4.801 3 2109 8496 1075 986 Selective Inactive 13859 1NKR PRO 151 E -5.117 6.233 -7.951 -3.562 2 2287 9765 1078 952 Selective Inactive 13860 1NKR ALA 152 C -4.461 5.455 -7.816 -3.549 2 2345 10459 1094 994 Selective Inactive 13861 1NKR GLY 153 E -2.697 3.119 -6.601 -3.688 1 2349 11063 1135 1123 Selective Inactive 13862 1NKR PRO 154 E -1.881 3.461 -6.025 -3.884 1 2314 11294 1193 1216 Selective Inactive 13863 1NKR LYS 155 E -1.747 3.795 -6.197 -4.037 1 2097 10788 1250 1305 Selective Gatekeeper 13864 1NKR VAL 156 E -1.749 3.788 -6.192 -4.038 1 1947 10873 1289 1378 Selective Gatekeeper 13865 1NKR ASN 157 T -1.753 3.776 -6.175 -4.039 1 1831 11347 1327 1443 Selective Gatekeeper 13866 1NKR GLY 158 T -1.892 3.902 -5.957 -4.045 1 1722 11710 1371 1499 Gatekeeper Selective 13867 1NKR THR 159 E -2.741 4.846 -6.405 -4.326 1 1467 11414 1406 1526 Gatekeeper Selective 13868 1NKR PHE 160 E -6.214 9.073 -9.911 -5.124 3 1286 11481 1438 1543 Gatekeeper Selective 13869 1NKR GLN 161 E -8.278 12.26 -15.703 -8.654 8 1217 11565 1450 1551 Gatekeeper Selective 13870 1NKR ALA 162 E -9.415 12.911 -16.589 -8.49 8 1279 11715 1422 1486 Gatekeeper Selective 13871 1NKR ASP 163 E -9.444 12.603 -12.355 -5.044 7 1235 11637 1406 1356 Gatekeeper Selective 13872 1NKR PHE 164 E -9.153 11.868 -11.968 -4.573 5 1248 11792 1373 1202 Gatekeeper Permissive 13873 1NKR PRO 165 E -7.489 7.54 -10.438 -3.642 4 1520 12487 1369 1098 Gatekeeper Permissive 13874 1NKR LEU 166 E -6.204 8.137 -8.417 -3.584 2 1812 12774 1349 1024 Gatekeeper Permissive 13875 1NKR GLY 167 E -5.038 5.747 -8.019 -3.427 2 1996 13254 1335 1002 Selective Inactive 13876 1NKR PRO 168 E -4.362 6.313 -7.183 -3.476 2 2109 13571 1345 1014 Selective Inactive 13877 1NKR ALA 169 E -4.255 6.189 -7.511 -3.587 2 2114 13010 1363 1030 Selective Permissive 13878 1NKR THR 170 C -4.153 6.275 -7.747 -3.759 2 2085 12118 1374 1037 Selective Permissive 13879 1NKR HIS 171 C -4.17 6.22 -7.735 -3.764 2 2053 11196 1380 1038 Selective Permissive 13880 1NKR GLY 172 C -4.301 6.432 -7.678 -3.853 2 2072 10585 1368 1040 Selective Permissive 13881 1NKR GLY 173 E -4.867 6.193 -9.093 -4.416 2 1989 9493 1351 1027 Selective Permissive 13882 1NKR THR 174 E -5.235 6.738 -9.025 -4.646 2 1819 8210 1327 1029 Selective Inactive 13883 1NKR TYR 175 E -9.237 11.986 -12.536 -5.503 7 1580 6860 1345 1079 Gatekeeper Inactive 13884 1NKR ARG 176 E -11.749 14.061 -15.315 -5.765 8 1421 5609 1374 1173 Gatekeeper Permissive 13885 1NKR CYS 177 E -12.881 14.511 -17.278 -5.887 8 1186 4200 1371 1206 Gatekeeper Permissive 13886 1NKR PHE 178 E -12.632 15.645 -15.808 -5.581 8 837 2811 1305 1168 Gatekeeper Inactive 13887 1NKR GLY 179 E -9.408 9.549 -13.605 -5.119 6 507 1895 1241 1078 Gatekeeper Inactive 13888 1NKR SER 180 E -8.93 9.836 -13.232 -5.053 6 310 1106 1156 959 Inactive Inactive 13889 1NKR PHE 181 E -7.632 9.204 -11.043 -4.607 5 204 747 1048 809 Inactive Inactive 13890 1NKR HIS 182 T -7.589 9.201 -11.157 -4.605 5 206 666 950 671 Inactive Inactive 13891 1NKR ASP 183 T -7.587 9.206 -11.168 -4.607 5 215 620 862 553 Inactive Inactive 13892 1NKR SER 184 E -7.615 9.191 -11.051 -4.582 5 233 620 777 451 Inactive Inactive 13893 1NKR PRO 185 E -7.652 9.135 -10.931 -4.555 5 241 644 710 378 Inactive Inactive 13894 1NKR TYR 186 E -9.136 9.258 -12.763 -4.608 5 383 677 654 321 Inactive Inactive 13895 1NKR GLU 187 E -10.97 11.224 -14.745 -5.171 6 454 715 601 264 Inactive Inactive 13896 1NKR TRP 188 E -13.442 15.194 -17.18 -5.714 8 - - - - - - 13897 1NKR SER 189 C -11.398 9.231 -16.819 -5.422 6 - - - - - - 13898 1NKR LYS 190 C -8.785 8.101 -13.265 -4.909 5 - - - - - - 13899 1NKR SER 191 C -8.675 8.251 -13.313 -4.861 5 - - - - - - 13900 1NKR SER 192 C -8.406 8.199 -13.078 -4.66 5 - - - - - - 13901 1NKR ASP 193 C -8.406 8.2 -13.078 -4.66 5 - - - - - - 13902 1NKR PRO 194 C -8.408 8.215 -13.054 -4.656 5 - - - - - - 13903 1NKR LEU 195 E -8.839 8.43 -12.863 -4.383 5 - - - - - - 13904 1NKR LEU 196 E -8.58 9.783 -11.097 -3.719 5 - - - - - - 13905 1NKR VAL 197 E -7.168 10.249 -6.954 -2.446 4 - - - - - - 13906 1NKR SER 198 E -7.168 10.249 -6.954 -2.446 4 - - - - - - 13907 1NKR VAL 199 E -7.168 10.249 -6.954 -2.446 4 - - - - - - 13908 1NKR THR 200 C -7.168 10.249 -6.954 -2.446 4 - - - - - - 13909 1PBK PRO 109 C -7.963 11.096 -10.101 -4.235 4 - - - - - - 13910 1PBK LYS 110 C -7.963 11.096 -10.101 -4.235 4 - - - - - - 13911 1PBK TYR 111 E -7.963 11.096 -10.101 -4.235 4 - - - - - - 13912 1PBK THR 112 E -7.963 11.096 -10.101 -4.235 4 - - - - - - 13913 1PBK LYS 113 E -7.902 10.593 -11.434 -5.138 5 - - - - - - 13914 1PBK SER 114 E -7.695 9.752 -11.776 -5.049 5 - - - - - - 13915 1PBK VAL 115 E -6.329 9.165 -10.235 -5.155 3 - - - - - - 13916 1PBK LEU 116 E -6.323 9.155 -10.276 -5.16 3 - - - - - - 13917 1PBK LYS 117 E -6.301 9.029 -10.437 -5.171 3 - - - - - - 13918 1PBK LYS 118 T -5.709 6.786 -11.001 -5.174 3 - - - - - - 13919 1PBK GLY 119 C -4.288 5.837 -9.43 -5.227 3 - - - - - - 13920 1PBK ASP 120 T -4.218 6.102 -9.395 -5.234 3 - - - - - - 13921 1PBK LYS 121 T -4.213 6.14 -9.393 -5.229 3 752 1335 861 384 Selective Inactive 13922 1PBK THR 122 T -4.213 6.148 -9.389 -5.227 3 761 1445 851 380 Selective Inactive 13923 1PBK ASN 123 T -4.245 6.175 -9.281 -5.229 2 902 1776 854 401 Selective Inactive 13924 1PBK PHE 124 C -5.35 8.526 -9.307 -5.207 3 925 2054 870 439 Selective Inactive 13925 1PBK PRO 125 C -6.775 9.791 -10.137 -4.489 4 1060 2297 882 449 Selective Inactive 13926 1PBK LYS 126 T -7.199 7.685 -11.662 -4.279 5 1207 2264 919 472 Selective Inactive 13927 1PBK LYS 127 T -7.418 6.839 -12.219 -4.321 5 1288 2242 970 498 Selective Inactive 13928 1PBK GLY 128 T -7.424 6.8 -12.213 -4.32 5 1303 2209 1016 542 Selective Inactive 13929 1PBK ASP 129 T -7.484 6.541 -12.249 -4.335 5 1277 2021 1067 615 Selective Inactive 13930 1PBK VAL 130 E -8.289 5.955 -13.508 -4.52 5 1243 1713 1116 731 Selective Inactive 13931 1PBK VAL 131 E -10.259 8.524 -14.715 -4.517 6 1344 1432 1175 862 Selective Inactive 13932 1PBK HIS 132 E -12.114 9.683 -17.08 -4.972 6 1482 1171 1237 977 Selective Permissive 13933 1PBK CYS 133 E -13.331 15.764 -16.748 -5.544 8 1596 1211 1283 1084 Selective Selective 13934 1PBK TRP 134 E -12.784 18.933 -14.435 -5.768 8 1677 1200 1312 1124 Selective Selective 13935 1PBK TYR 135 E -12.052 16.931 -15.228 -6.052 8 1661 1089 1332 1115 Permissive Selective 13936 1PBK THR 136 E -9.915 11.384 -13.727 -5.191 6 1519 763 1298 1062 Permissive Selective 13937 1PBK GLY 137 E -8.182 8.444 -12.547 -4.874 5 1411 483 1260 998 Permissive Permissive 13938 1PBK THR 138 E -6.619 7.11 -11.154 -4.808 3 1207 237 1230 966 Permissive Permissive 13939 1PBK LEU 139 T -4.44 5.354 -8.754 -4.497 2 1029 221 1178 927 Permissive Permissive 13940 1PBK GLN 140 T -3.486 4.753 -8.152 -4.495 2 923 210 1114 884 Permissive Inactive 13941 1PBK ASP 141 T -3.478 4.815 -8.16 -4.497 2 877 201 1049 811 Permissive Inactive 13942 1PBK GLY 142 T -3.478 4.815 -8.16 -4.497 2 834 198 987 733 Permissive Inactive 13943 1PBK THR 143 C -3.48 4.81 -8.148 -4.495 2 709 183 932 630 Permissive Inactive 13944 1PBK VAL 144 E -3.608 4.685 -8.008 -4.492 2 541 165 880 521 Permissive Inactive 13945 1PBK PHE 145 E -5.986 9.399 -8.887 -4.597 4 355 121 822 433 Inactive Inactive 13946 1PBK ASP 146 E -7.506 10.86 -10.587 -4.707 4 275 43 773 350 Inactive Inactive 13947 1PBK THR 147 E -6.969 8.526 -11.073 -4.729 3 206 13 744 314 Inactive Inactive 13948 1PBK ASN 148 C -6.557 6.504 -11.372 -4.542 3 210 18 724 311 Inactive Inactive 13949 1PBK ILE 149 C -4.957 5.639 -8.568 -3.843 2 220 115 724 314 Inactive Inactive 13950 1PBK GLN 150 T -4.909 5.659 -8.741 -3.881 2 270 229 722 322 Inactive Inactive 13951 1PBK THR 151 T -4.834 5.609 -8.987 -3.939 2 299 387 730 343 Inactive Inactive 13952 1PBK SER 152 T -4.822 5.538 -9.044 -3.934 2 346 524 758 377 Inactive Inactive 13953 1PBK ALA 153 T -4.837 5.53 -8.999 -3.925 2 363 594 799 398 Inactive Inactive 13954 1PBK LYS 154 T -5.202 6.22 -10.364 -4.663 3 404 650 838 433 Inactive Inactive 13955 1PBK LYS 155 T -5.274 6.281 -10.357 -4.723 3 431 740 871 447 Inactive Inactive 13956 1PBK LYS 156 T -5.42 6.648 -10.353 -4.886 3 453 850 905 454 Inactive Inactive 13957 1PBK LYS 157 T -5.476 6.913 -10.222 -4.961 3 493 1110 956 454 Selective Inactive 13958 1PBK ASN 158 T -5.492 6.938 -10.16 -4.967 3 525 1346 989 441 Selective Inactive 13959 1PBK ALA 159 T -6.847 7.658 -12.95 -5.321 3 517 1593 1014 428 Selective Inactive 13960 1PBK LYS 160 T -7.002 7.921 -12.768 -5.279 3 528 1826 1028 408 Selective Inactive 13961 1PBK PRO 161 C -7.563 9.28 -11.412 -4.383 5 528 2012 1043 385 Selective Inactive 13962 1PBK LEU 162 E -8.021 10.22 -10.77 -4.032 4 501 1967 1086 384 Selective Inactive 13963 1PBK SER 163 E -8.16 10.504 -10.509 -4.021 4 450 1913 1137 395 Gatekeeper Inactive 13964 1PBK PHE 164 E -9.266 13.838 -11.111 -4.365 7 429 1811 1177 406 Gatekeeper Permissive 13965 1PBK LYS 165 E -6.955 8.673 -10.239 -4.524 5 397 1719 1199 401 Gatekeeper Permissive 13966 1PBK VAL 166 T -4.822 8.51 -7.474 -4.418 2 383 1687 1218 435 Gatekeeper Permissive 13967 1PBK GLY 167 T -3.547 7.226 -6.69 -4.404 2 344 1656 1244 503 Gatekeeper Permissive 13968 1PBK VAL 168 T -3.32 8.015 -6.215 -4.279 2 315 1571 1250 612 Gatekeeper Permissive 13969 1PBK GLY 169 T -3.309 8.069 -6.231 -4.278 2 290 1463 1240 754 Gatekeeper Permissive 13970 1PBK LYS 170 T -3.309 8.071 -6.224 -4.277 2 243 1203 1204 913 Gatekeeper Permissive 13971 1PBK VAL 171 T -3.356 8.03 -6.124 -4.264 2 204 967 1182 1167 Inactive Selective 13972 1PBK ILE 172 T -3.965 9.741 -5.278 -4.003 2 160 717 1167 1494 Inactive Gatekeeper 13973 1PBK ARG 173 H -5.625 10.808 -7.044 -4.184 4 125 484 1158 1932 Inactive Gatekeeper 13974 1PBK GLY 174 H -7.499 12.159 -8.654 -4.197 4 119 293 1161 2472 Inactive Gatekeeper 13975 1PBK TRP 175 H -10.702 16.216 -11.158 -4.482 7 157 237 1173 3140 Inactive Gatekeeper 13976 1PBK ASP 176 H -12.535 16.253 -16.387 -5.838 8 219 178 1183 3889 Inactive Selective 13977 1PBK GLU 177 H -11.514 12.654 -14.568 -4.65 7 271 122 1192 4645 Inactive Selective 13978 1PBK ALA 178 H -10.986 13.601 -13.483 -4.593 7 336 81 1205 5543 Inactive Selective 13979 1PBK LEU 179 H -10.963 13.626 -13.54 -4.61 7 397 41 1236 6516 Inactive Selective 13980 1PBK LEU 180 H -10.952 13.605 -13.615 -4.629 7 421 16 1274 7567 Inactive Selective 13981 1PBK THR 181 C -10.935 13.481 -13.785 -4.685 7 432 11 1335 8717 Inactive Selective 13982 1PBK MET 182 C -11.162 14.05 -13.589 -4.767 7 460 12 1421 9938 Inactive Selective 13983 1PBK SER 183 T -12.126 12.534 -17.411 -5.705 8 481 13 1524 11256 Inactive Selective 13984 1PBK LYS 184 T -12.126 11.368 -18.457 -6.035 8 485 13 1625 12488 Inactive Selective 13985 1PBK GLY 185 T -12.179 11.199 -18.64 -6.104 8 486 14 1742 13546 Inactive Selective 13986 1PBK GLU 186 E -12.428 11.603 -18.717 -6.191 8 486 14 1867 14358 Inactive Selective 13987 1PBK LYS 187 E -12.334 12.585 -18.051 -6.1 8 462 13 1985 14938 Inactive Selective 13988 1PBK ALA 188 E -12.035 14.881 -15.6 -5.49 8 404 13 2074 15284 Inactive Selective 13989 1PBK ARG 189 E -12.181 16.595 -14.548 -5.294 8 328 13 2150 15458 Inactive Selective 13990 1PBK LEU 190 E -12.111 16.877 -14.341 -5.247 8 276 23 2235 15505 Inactive Selective 13991 1PBK GLU 191 E -11.755 15.635 -14.916 -5.473 8 207 40 2291 15314 Inactive Selective 13992 1PBK ILE 192 E -11.717 15.719 -14.847 -5.457 8 153 266 2335 14845 Inactive Selective 13993 1PBK GLU 193 C -11.372 15.153 -14.65 -5.578 8 142 478 2339 14068 Inactive Selective 13994 1PBK PRO 194 G -11.347 15.341 -14.575 -5.574 8 160 965 2314 13050 Inactive Selective 13995 1PBK GLU 195 G -11.183 15.75 -14.412 -5.68 8 217 1262 2263 11812 Gatekeeper Selective 13996 1PBK TRP 196 G -11.155 15.924 -14.189 -5.598 8 318 1690 2174 10393 Gatekeeper Selective 13997 1PBK ALA 197 T -9.811 10.329 -13.875 -4.929 6 394 2470 2056 8924 Gatekeeper Selective 13998 1PBK TYR 198 T -8.649 8.585 -13.553 -5.142 6 654 3858 1926 7560 Selective Selective 13999 1PBK GLY 199 T -8.463 7.904 -14.029 -5.137 6 1067 5294 1787 6342 Selective Selective 14000 1PBK LYS 200 T -8.336 7.583 -14.238 -5.086 6 1417 6578 1651 5252 Selective Selective 14001 1PBK LYS 201 T -7.327 5.736 -12.979 -4.649 3 1741 7845 1525 4246 Selective Selective 14002 1PBK GLY 202 T -6.325 5.416 -11.608 -4.565 3 2016 9128 1418 3319 Selective Selective 14003 1PBK GLN 203 B -5.999 5.097 -11.457 -4.42 3 2207 10102 1325 2513 Selective Selective 14004 1PBK PRO 204 G -5.481 6.66 -9.57 -4.057 2 2524 11360 1243 1835 Selective Selective 14005 1PBK ASP 205 G -5.437 6.851 -9.519 -4.037 2 2642 11821 1157 1379 Selective Gatekeeper 14006 1PBK ALA 206 G -5.422 7.084 -9.34 -3.98 2 2795 12317 1091 1171 Selective Gatekeeper 14007 1PBK LYS 207 C -5.532 7.481 -8.927 -3.857 2 2859 12288 1051 1145 Selective Gatekeeper 14008 1PBK ILE 208 B -5.633 8.251 -8.362 -3.75 2 2903 12518 1022 1272 Selective Gatekeeper 14009 1PBK PRO 209 T -6.455 9.725 -8.792 -3.609 4 2968 12580 1027 1492 Selective Gatekeeper 14010 1PBK PRO 210 T -6.77 10.074 -8.657 -3.478 4 2905 11816 1056 1758 Selective Gatekeeper 14011 1PBK ASN 211 T -7.264 10.175 -9.213 -3.638 4 2652 10427 1087 2014 Selective Gatekeeper 14012 1PBK ALA 212 T -7.379 10.233 -8.981 -3.613 4 - - - - - - 14013 1PBK LYS 213 C -8.845 10.067 -12.12 -4.536 5 - - - - - - 14014 1PBK LEU 214 E -10.523 12.649 -13.59 -4.957 7 - - - - - - 14015 1PBK THR 215 E -11.782 14.216 -14.927 -5.53 8 - - - - - - 14016 1PBK PHE 216 E -13.602 18.736 -15.892 -5.547 8 - - - - - - 14017 1PBK GLU 217 E -13.73 18.73 -15.886 -5.56 8 - - - - - - 14018 1PBK VAL 218 E -13.65 18.714 -16.064 -5.694 8 - - - - - - 14019 1PBK GLU 219 E -12.524 15.985 -15.541 -5.848 8 - - - - - - 14020 1PBK LEU 220 E -9.668 12.8 -11.51 -4.497 7 - - - - - - 14021 1PBK VAL 221 E -7.101 9.154 -9.021 -3.636 4 - - - - - - 14022 1PBK ASP 222 E -7.101 9.154 -9.021 -3.636 4 - - - - - - 14023 1PBK ILE 223 E -7.101 9.154 -9.021 -3.636 4 - - - - - - 14024 1PBK ASP 224 C -7.101 9.154 -9.021 -3.636 4 - - - - - - 14025 1PBV ALA 52 C -1.993 1.501 -7.258 -3.867 1 - - - - - - 14026 1PBV ASN 53 C -1.993 1.501 -7.258 -3.867 1 - - - - - - 14027 1PBV GLU 54 H -1.993 1.501 -7.258 -3.867 1 - - - - - - 14028 1PBV GLY 55 H -1.993 1.501 -7.258 -3.867 1 - - - - - - 14029 1PBV SER 56 H -2.954 2.488 -9.598 -4.872 2 - - - - - - 14030 1PBV LYS 57 H -3.262 2.823 -10.229 -5.377 3 - - - - - - 14031 1PBV THR 58 H -3.723 3.339 -11.034 -5.931 3 - - - - - - 14032 1PBV LEU 59 H -4.426 3.638 -12.271 -6.5 3 - - - - - - 14033 1PBV GLN 60 H -5.602 5.075 -14.319 -7.592 3 - - - - - - 14034 1PBV ARG 61 H -7.35 7.24 -17.61 -8.731 6 - - - - - - 14035 1PBV ASN 62 H -7.627 7.541 -17.933 -9.044 6 - - - - - - 14036 1PBV ARG 63 H -8.311 8.454 -18.281 -9.24 6 - - - - - - 14037 1PBV LYS 64 H -9.93 10.127 -20.323 -9.783 6 911 92 1206 1333 Inactive Inactive 14038 1PBV MET 65 H -11.165 10.898 -16.232 -5.275 6 724 47 1228 1291 Inactive Inactive 14039 1PBV ALA 66 H -10.319 9.515 -15.353 -5.091 6 389 19 1226 1237 Inactive Inactive 14040 1PBV MET 67 H -10.162 9.96 -15.244 -5.2 6 296 73 1206 1183 Inactive Inactive 14041 1PBV GLY 68 H -10.209 9.931 -15.216 -5.214 6 227 131 1182 1117 Inactive Inactive 14042 1PBV ARG 69 H -10.23 9.854 -15.162 -5.188 6 225 173 1152 1044 Inactive Inactive 14043 1PBV LYS 70 H -9.66 11.35 -13.455 -5.03 6 236 223 1135 959 Inactive Inactive 14044 1PBV LYS 71 H -9.642 12.386 -12.998 -5.108 7 260 330 1117 870 Inactive Inactive 14045 1PBV PHE 72 H -9.628 12.522 -12.796 -5.004 7 308 524 1088 775 Inactive Inactive 14046 1PBV ASN 73 H -9.52 11.859 -13.222 -5.012 7 330 609 1059 664 Inactive Inactive 14047 1PBV MET 74 H -8.604 8.962 -12.872 -4.756 5 373 651 1014 546 Inactive Inactive 14048 1PBV ASP 75 C -8.423 8.55 -13.047 -4.796 5 485 737 977 465 Inactive Inactive 14049 1PBV PRO 76 H -8.434 8.456 -13.049 -4.781 5 524 789 940 428 Inactive Inactive 14050 1PBV LYS 77 H -8.426 8.435 -13.106 -4.801 5 544 793 926 425 Inactive Inactive 14051 1PBV LYS 78 H -8.44 8.445 -13.052 -4.796 5 557 795 938 456 Inactive Inactive 14052 1PBV GLY 79 H -8.976 8.845 -13.458 -4.956 6 567 794 961 509 Inactive Inactive 14053 1PBV ILE 80 H -10.189 11.133 -14.555 -5.233 6 569 738 979 552 Inactive Inactive 14054 1PBV GLN 81 H -10.395 10.407 -15.01 -5.334 6 568 716 982 608 Inactive Inactive 14055 1PBV PHE 82 H -11.336 13.384 -14.907 -5.211 8 584 705 991 671 Inactive Inactive 14056 1PBV LEU 83 H -9.565 9.386 -13.504 -4.839 6 570 657 971 685 Inactive Inactive 14057 1PBV VAL 84 H -9.097 9.467 -13.515 -4.993 6 539 551 955 668 Inactive Inactive 14058 1PBV GLU 85 H -9.048 9.635 -13.562 -5.018 6 465 363 959 663 Inactive Inactive 14059 1PBV ASN 86 H -9.006 9.815 -13.596 -5.051 6 400 278 967 674 Inactive Inactive 14060 1PBV GLU 87 T -8.416 11.892 -11.747 -5.063 5 359 270 998 705 Inactive Inactive 14061 1PBV LEU 88 T -7.588 13.877 -9.133 -4.928 4 299 294 1047 775 Inactive Inactive 14062 1PBV LEU 89 T -7.008 12.447 -8.735 -4.527 4 375 530 1093 847 Inactive Inactive 14063 1PBV GLN 90 T -6.722 10.976 -9.411 -4.544 4 468 777 1131 916 Inactive Inactive 14064 1PBV ASN 91 C -6.539 10.566 -9.777 -4.669 4 540 1009 1165 989 Inactive Inactive 14065 1PBV THR 92 C -6.535 10.536 -9.785 -4.658 4 611 1141 1220 1079 Gatekeeper Inactive 14066 1PBV PRO 93 H -6.618 9.966 -9.985 -4.623 4 761 1407 1306 1203 Gatekeeper Permissive 14067 1PBV GLU 94 H -6.853 9.211 -10.667 -4.778 3 830 1449 1432 1335 Gatekeeper Permissive 14068 1PBV GLU 95 H -7.241 9.755 -10.809 -4.967 3 926 1559 1534 1444 Gatekeeper Permissive 14069 1PBV ILE 96 H -8.447 11.858 -10.832 -4.625 5 1113 1781 1615 1521 Selective Permissive 14070 1PBV ALA 97 H -9.602 13.031 -11.554 -4.459 7 1297 1913 1700 1660 Selective Selective 14071 1PBV ARG 98 H -9.838 12.719 -11.544 -4.439 7 1542 2129 1779 1759 Selective Selective 14072 1PBV PHE 99 H -10.874 17.678 -11.368 -5.167 7 1781 2303 1839 1811 Selective Selective 14073 1PBV LEU 100 H -8.877 12.265 -11.406 -5.075 7 1841 2401 1863 1830 Selective Selective 14074 1PBV TYR 101 H -6.703 7.729 -11.437 -5.359 3 1840 2453 1832 1772 Selective Selective 14075 1PBV LYS 102 H -5.421 7.804 -9.619 -5.123 3 1747 2300 1810 1722 Selective Selective 14076 1PBV GLY 103 T -5.328 7.788 -9.801 -5.146 3 1657 2169 1808 1665 Selective Selective 14077 1PBV GLU 104 T -5.327 7.791 -9.807 -5.146 3 1573 1952 1794 1600 Selective Selective 14078 1PBV GLY 105 T -5.327 7.788 -9.811 -5.146 3 1490 1834 1759 1478 Selective Permissive 14079 1PBV LEU 106 T -5.385 7.813 -9.642 -5.123 3 1313 1568 1672 1320 Selective Permissive 14080 1PBV ASN 107 C -6.447 7.827 -10.947 -5.272 3 1227 1500 1551 1134 Selective Permissive 14081 1PBV LYS 108 H -8.24 10.809 -12.297 -5.054 5 1111 1360 1428 955 Selective Permissive 14082 1PBV THR 109 H -7.754 10.162 -10.786 -4.321 4 921 1138 1337 838 Gatekeeper Permissive 14083 1PBV ALA 110 H -7.886 10.164 -10.417 -4.114 4 733 1007 1246 679 Inactive Inactive 14084 1PBV ILE 111 H -7.951 9.949 -10.285 -4.039 4 474 784 1151 549 Inactive Inactive 14085 1PBV GLY 112 H -7.982 9.867 -10.192 -4.014 4 233 605 1052 451 Inactive Inactive 14086 1PBV ASP 113 H -8.009 9.752 -10.124 -3.994 4 168 475 984 372 Inactive Inactive 14087 1PBV TYR 114 H -11.4 15.33 -13.845 -5.018 7 141 323 963 325 Inactive Inactive 14088 1PBV LEU 115 H -10.613 11.36 -14.463 -5.055 6 137 191 913 265 Inactive Inactive 14089 1PBV GLY 116 H -8.45 6.444 -13.816 -4.929 3 172 77 849 204 Inactive Inactive 14090 1PBV GLU 117 C -8.046 7.012 -13.205 -4.729 5 349 62 785 145 Inactive Inactive 14091 1PBV ARG 118 C -7.3 7.137 -11.68 -4.352 5 550 52 730 123 Inactive Inactive 14092 1PBV GLU 119 C -7.293 7.154 -11.708 -4.356 5 634 51 696 129 Inactive Inactive 14093 1PBV GLU 120 H -7.289 7.164 -11.715 -4.353 5 727 41 689 188 Inactive Inactive 14094 1PBV LEU 121 H -7.376 7.299 -11.384 -4.262 5 831 43 717 287 Inactive Inactive 14095 1PBV ASN 122 H -7.48 7.239 -11.156 -4.211 5 923 43 743 379 Inactive Inactive 14096 1PBV LEU 123 H -9.487 9.315 -13.516 -4.375 5 1173 72 774 484 Permissive Inactive 14097 1PBV ALA 124 H -9.64 10.698 -12.328 -3.851 5 1298 78 786 583 Permissive Inactive 14098 1PBV VAL 125 H -10.085 12.51 -11.221 -3.418 7 1369 80 810 680 Permissive Inactive 14099 1PBV LEU 126 H -10.084 12.608 -11.169 -3.417 7 1393 78 825 747 Permissive Inactive 14100 1PBV HIS 127 H -10.013 12.736 -11.307 -3.511 7 1382 68 836 788 Permissive Inactive 14101 1PBV ALA 128 H -10.189 13.028 -11.207 -3.559 7 1363 67 864 814 Permissive Inactive 14102 1PBV PHE 129 H -11.054 14.695 -12.548 -4.26 7 1311 61 895 831 Permissive Inactive 14103 1PBV VAL 130 H -11.01 14.22 -12.996 -4.399 7 1130 57 918 850 Permissive Inactive 14104 1PBV ASP 131 H -11.056 13.896 -13.175 -4.454 7 927 50 951 859 Inactive Inactive 14105 1PBV LEU 132 H -11.516 14.286 -14.745 -5.142 8 845 48 974 843 Inactive Inactive 14106 1PBV HIS 133 C -10.31 10.808 -14.345 -5.154 6 748 47 974 796 Inactive Inactive 14107 1PBV GLU 134 C -8.587 9.94 -11.864 -4.721 5 639 45 969 740 Inactive Inactive 14108 1PBV PHE 135 T -8.526 10.063 -11.986 -4.756 5 567 44 988 753 Inactive Inactive 14109 1PBV THR 136 T -8.395 10.035 -12.213 -4.804 5 346 18 1003 822 Inactive Inactive 14110 1PBV ASP 137 T -8.389 10.063 -12.222 -4.803 5 389 34 1027 1009 Inactive Inactive 14111 1PBV LEU 138 T -8.409 10.056 -12.154 -4.791 5 413 42 1073 1252 Inactive Inactive 14112 1PBV ASN 139 C -9.059 10.79 -13.025 -4.969 5 606 146 1122 1544 Inactive Inactive 14113 1PBV LEU 140 H -9.198 10.866 -12.904 -4.903 5 963 341 1153 1898 Permissive Gatekeeper 14114 1PBV VAL 141 H -10.071 14.029 -12.144 -4.595 7 1331 546 1170 2309 Permissive Gatekeeper 14115 1PBV GLN 142 H -10.205 14.264 -11.813 -4.52 7 1611 1005 1176 2697 Permissive Gatekeeper 14116 1PBV ALA 143 H -10.242 14.337 -11.659 -4.509 7 1931 1838 1191 3041 Selective Gatekeeper 14117 1PBV LEU 144 H -11.08 15.841 -11.216 -4.255 7 2256 2603 1201 3361 Selective Gatekeeper 14118 1PBV ARG 145 H -14.145 14.229 -17.212 -4.909 8 2614 3441 1228 3647 Selective Gatekeeper 14119 1PBV GLN 146 H -15.41 14.57 -19.676 -5.449 8 2833 4160 1271 3817 Selective Selective 14120 1PBV PHE 147 H -15.225 22.175 -15.307 -5.439 8 3101 4922 1305 3915 Selective Selective 14121 1PBV LEU 148 H -15.202 22.307 -15.26 -5.432 8 3145 5199 1319 3894 Selective Selective 14122 1PBV TRP 149 H -14.091 19.977 -14.494 -5.177 8 3156 5379 1312 3767 Selective Selective 14123 1PBV SER 150 H -12.095 18.523 -11.469 -4.455 7 3000 5426 1312 3542 Selective Selective 14124 1PBV PHE 151 C -9.213 16.292 -8.846 -4.383 4 2943 5512 1303 3281 Selective Selective 14125 1PBV ARG 152 C -6.849 11.898 -8.336 -4.538 4 2756 5438 1298 3059 Selective Selective 14126 1PBV LEU 153 C -5.793 10.14 -7.981 -4.426 4 2478 5297 1309 2874 Selective Selective 14127 1PBV PRO 154 C -5.266 7.747 -8.839 -4.412 2 2188 5123 1333 2701 Selective Selective 14128 1PBV GLY 155 C -5.235 7.62 -9.021 -4.439 2 1970 4667 1367 2616 Selective Selective 14129 1PBV GLU 156 C -5.235 7.61 -9.023 -4.439 2 1694 3834 1371 2614 Selective Selective 14130 1PBV ALA 157 H -5.275 7.32 -9.071 -4.432 2 1396 3069 1387 2763 Selective Selective 14131 1PBV GLN 158 H -5.527 6.008 -9.689 -4.447 2 1087 2231 1429 3106 Selective Selective 14132 1PBV LYS 159 H -6.988 5.308 -12.392 -4.946 3 952 1512 1461 3709 Selective Selective 14133 1PBV ILE 160 H -9.858 8.025 -14.741 -4.769 6 873 763 1510 4356 Inactive Selective 14134 1PBV ASP 161 H -11.264 8.66 -16.437 -5.046 6 1051 495 1564 5070 Permissive Selective 14135 1PBV ARG 162 H -13.608 13.733 -19.514 -6.501 8 1375 400 1623 5806 Permissive Selective 14136 1PBV MET 163 H -14.029 17.39 -17.663 -6.099 8 1619 465 1662 6348 Permissive Selective 14137 1PBV MET 164 H -12.637 16.723 -14.013 -5.034 8 1673 588 1678 6751 Permissive Selective 14138 1PBV GLU 165 H -12.175 14.645 -14.537 -4.779 8 1832 1071 1679 6958 Permissive Selective 14139 1PBV ALA 166 H -12.174 14.647 -14.536 -4.777 7 1925 1606 1667 6993 Selective Selective 14140 1PBV PHE 167 H -12.179 14.636 -14.508 -4.769 7 1928 2289 1657 6944 Selective Selective 14141 1PBV ALA 168 H -12.192 14.547 -14.477 -4.75 7 1898 2672 1647 6805 Selective Selective 14142 1PBV GLN 169 H -12.529 12.932 -15.036 -4.578 8 1945 3075 1664 6607 Selective Selective 14143 1PBV ARG 170 H -15.16 13.196 -19.977 -5.258 8 1964 3352 1634 6229 Selective Selective 14144 1PBV TYR 171 H -14.539 11.224 -20.22 -5.453 8 1928 3552 1555 5654 Selective Selective 14145 1PBV CYS 172 H -11.442 4.544 -18.343 -4.736 6 1861 3677 1479 4897 Selective Selective 14146 1PBV LEU 173 H -9.779 3.695 -16.565 -4.613 6 1697 3769 1391 4135 Selective Selective 14147 1PBV CYS 174 H -9.382 4.282 -16.184 -4.616 6 1481 3928 1314 3394 Selective Selective 14148 1PBV ASN 175 T -8.983 6.931 -14.46 -4.589 5 1146 3939 1268 2686 Selective Selective 14149 1PBV PRO 176 T -7.596 9.826 -10.548 -4.46 4 947 3911 1253 2209 Selective Gatekeeper 14150 1PBV GLY 177 T -7.575 9.885 -10.615 -4.482 4 869 3698 1268 1871 Gatekeeper Selective 14151 1PBV VAL 178 T -7.589 10.033 -10.481 -4.479 4 743 3231 1279 1708 Gatekeeper Selective 14152 1PBV PHE 179 T -7.602 10.161 -10.361 -4.477 4 617 2682 1278 1667 Gatekeeper Selective 14153 1PBV GLN 180 T -7.599 10.122 -10.436 -4.515 4 683 2013 1269 1676 Gatekeeper Selective 14154 1PBV SER 181 T -8.76 9.78 -13.592 -5.227 6 851 1685 1247 1740 Gatekeeper Gatekeeper 14155 1PBV THR 182 H -8.935 9.272 -13.9 -5.286 6 918 1319 1227 1804 Gatekeeper Gatekeeper 14156 1PBV ASP 183 H -8.931 9.278 -13.909 -5.283 6 1094 1092 1218 1948 Selective Gatekeeper 14157 1PBV THR 184 H -8.941 9.231 -13.892 -5.28 6 1201 932 1211 2141 Permissive Gatekeeper 14158 1PBV CYS 185 H -9.36 9.479 -13.918 -5.296 6 1358 859 1211 2464 Permissive Gatekeeper 14159 1PBV TYR 186 H -11.27 12.566 -15.339 -5.306 8 1508 792 1201 2797 Permissive Gatekeeper 14160 1PBV VAL 187 H -11.381 13.127 -14.667 -4.929 7 1549 631 1161 3027 Permissive Gatekeeper 14161 1PBV LEU 188 H -11.851 16.214 -13.476 -4.608 7 1553 530 1129 3254 Permissive Gatekeeper 14162 1PBV SER 189 H -11.685 16.239 -13.068 -4.454 7 1531 424 1089 3406 Permissive Gatekeeper 14163 1PBV PHE 190 H -10.424 14.765 -10.794 -3.876 7 1587 441 1043 3551 Permissive Gatekeeper 14164 1PBV ALA 191 H -10.107 14.975 -10.623 -3.843 7 1522 411 1024 3638 Permissive Gatekeeper 14165 1PBV VAL 192 H -10.079 15.003 -10.676 -3.865 7 1467 380 1045 3673 Permissive Gatekeeper 14166 1PBV ILE 193 H -9.721 14.049 -11.216 -4.154 7 1317 337 1073 3691 Permissive Gatekeeper 14167 1PBV MET 194 H -9.62 13.735 -11.517 -4.242 7 1110 280 1111 3639 Permissive Gatekeeper 14168 1PBV LEU 195 H -9.763 13.521 -11.849 -4.383 7 954 245 1142 3579 Permissive Gatekeeper 14169 1PBV ASN 196 H -9.897 13 -12.439 -4.617 7 736 273 1173 3439 Inactive Gatekeeper 14170 1PBV THR 197 H -9.465 12.806 -14.116 -6.076 8 627 511 1222 3276 Inactive Gatekeeper 14171 1PBV SER 198 H -8.886 12.3 -14.991 -7.269 6 463 740 1265 2973 Inactive Gatekeeper 14172 1PBV LEU 199 H -6.668 9.116 -9.838 -4.72 4 296 894 1312 2650 Inactive Selective 14173 1PBV HIS 200 H -5.714 6.978 -10.076 -4.643 3 237 1079 1364 2399 Inactive Selective 14174 1PBV ASN 201 T -3.597 3.774 -7.068 -3.433 1 240 1499 1419 2149 Gatekeeper Selective 14175 1PBV PRO 202 T -2.228 3.014 -5.434 -3.113 1 248 1870 1485 1951 Gatekeeper Selective 14176 1PBV ASN 203 T -2.202 3.066 -5.53 -3.135 1 207 1971 1548 1752 Gatekeeper Selective 14177 1PBV VAL 204 T -2.2 3.074 -5.536 -3.135 1 248 2049 1588 1589 Gatekeeper Selective 14178 1PBV ARG 205 T -2.193 3.107 -5.564 -3.145 1 274 2122 1597 1446 Gatekeeper Permissive 14179 1PBV ASP 206 T -2.252 3.035 -5.393 -3.106 1 346 2236 1628 1311 Gatekeeper Permissive 14180 1PBV LYS 207 T -3.878 4.626 -7.586 -3.597 1 411 2352 1633 1237 Gatekeeper Permissive 14181 1PBV PRO 208 C -4.601 5.961 -8.047 -3.877 2 447 2462 1641 1178 Gatekeeper Permissive 14182 1PBV GLY 209 C -4.709 5.823 -8.048 -3.962 2 465 2403 1688 1186 Gatekeeper Permissive 14183 1PBV LEU 210 H -6.929 10.656 -11.921 -6.131 3 477 2170 1733 1229 Gatekeeper Permissive 14184 1PBV GLU 211 H -7.967 9.914 -11.294 -4.511 5 549 1984 1775 1305 Gatekeeper Permissive 14185 1PBV ARG 212 H -8.077 9.652 -10.67 -4.094 4 721 2126 1799 1459 Gatekeeper Permissive 14186 1PBV PHE 213 H -9.7 13.611 -11.253 -4.388 7 969 2301 1833 1604 Selective Selective 14187 1PBV VAL 214 H -10.6 12.975 -12.951 -4.18 7 1034 2051 1813 1711 Selective Selective 14188 1PBV ALA 215 H -10.393 10.758 -14.228 -4.443 7 1083 2246 1775 1773 Selective Selective 14189 1PBV MET 216 H -10.301 10.444 -14.604 -4.593 6 1148 2614 1704 1755 Selective Selective 14190 1PBV ASN 217 T -10.526 9.128 -16.318 -5.179 6 1182 3027 1639 1714 Selective Selective 14191 1PBV ARG 218 T -9.813 11.068 -16.472 -6.795 6 1203 3315 1585 1687 Selective Selective 14192 1PBV GLY 219 T -6.428 7.094 -10.961 -5.105 3 1227 3736 1516 1643 Selective Selective 14193 1PBV ILE 220 T -5.805 7.219 -10.498 -5.07 3 1289 3862 1483 1592 Selective Selective 14194 1PBV ASN 221 B -5.407 6.011 -11.184 -5.252 3 1421 4003 1473 1570 Selective Selective 14195 1PBV GLU 222 T -5.315 6.325 -11.1 -5.248 3 1463 4130 1435 1554 Selective Selective 14196 1PBV GLY 223 T -5.261 6.382 -11.048 -5.18 3 1547 4439 1425 1577 Selective Selective 14197 1PBV GLY 224 B -5.336 6.329 -11.067 -5.183 3 1478 4407 1405 1601 Selective Selective 14198 1PBV ASP 225 C -5.535 5.974 -11.406 -5.228 3 1305 4083 1394 1536 Selective Permissive 14199 1PBV LEU 226 C -6.075 7.941 -10.635 -4.888 3 1047 3719 1356 1452 Selective Permissive 14200 1PBV PRO 227 C -6.493 7.819 -10.647 -4.516 3 950 3554 1342 1371 Selective Permissive 14201 1PBV GLU 228 H -7.184 9.66 -10.943 -4.625 5 867 2988 1299 1314 Gatekeeper Permissive 14202 1PBV GLU 229 H -7.629 10.575 -10.688 -4.454 4 784 2496 1291 1361 Gatekeeper Permissive 14203 1PBV LEU 230 H -8.014 11.906 -10.152 -4.333 4 710 2017 1293 1404 Gatekeeper Permissive 14204 1PBV LEU 231 H -8.491 12.182 -10.143 -4.276 4 657 1670 1290 1441 Gatekeeper Permissive 14205 1PBV ARG 232 H -10.013 14.019 -11.498 -4.312 7 560 1136 1272 1476 Gatekeeper Permissive 14206 1PBV ASN 233 H -10.48 13.717 -11.911 -4.351 7 432 902 1226 1487 Inactive Inactive 14207 1PBV LEU 234 H -12.061 16.957 -13.153 -4.733 7 - - - - - - 14208 1PBV TYR 235 H -12.786 15.405 -15.554 -5.15 8 - - - - - - 14209 1PBV ASP 236 H -10.314 8.998 -14.453 -4.626 6 - - - - - - 14210 1PBV SER 237 H -9.517 9.396 -13.655 -4.687 5 - - - - - - 14211 1PBV ILE 238 H -7.95 9.241 -10.801 -4.195 4 - - - - - - 14212 1PBV ARG 239 H -7.949 9.264 -10.809 -4.203 4 - - - - - - 14213 1PBV ASN 240 H -7.934 9.455 -10.85 -4.262 4 - - - - - - 14214 1PBV GLU 241 C -7.877 10.181 -10.737 -4.391 4 - - - - - - 14215 1PBV PRO 242 C -7.016 14.175 -7.46 -4.311 4 - - - - - - 14216 1PBV PHE 243 C -6.109 13.838 -5.436 -3.63 4 - - - - - - 14217 1PBV LYS 244 C -6.109 13.838 -5.436 -3.63 4 - - - - - - 14218 1PBV ILE 245 C -6.109 13.838 -5.436 -3.63 4 - - - - - - 14219 1PBV PRO 246 C -6.109 13.838 -5.436 -3.63 4 - - - - - - 14220 1PHT ALA 3 C -8.923 10.732 -12.696 -5.579 6 - - - - - - 14221 1PHT GLU 4 E -8.923 10.732 -12.696 -5.579 6 - - - - - - 14222 1PHT GLY 5 E -8.923 10.732 -12.696 -5.579 6 - - - - - - 14223 1PHT TYR 6 E -8.923 10.732 -12.696 -5.579 6 - - - - - - 14224 1PHT GLN 7 E -13.542 13.175 -18.691 -6.473 8 - - - - - - 14225 1PHT TYR 8 E -14.315 16.195 -14.815 -4.013 7 - - - - - - 14226 1PHT ARG 9 E -11.592 11.306 -12.914 -3.529 7 - - - - - - 14227 1PHT ALA 10 E -11.528 11.51 -12.993 -3.543 7 - - - - - - 14228 1PHT LEU 11 C -10.488 11.734 -12.306 -3.909 7 - - - - - - 14229 1PHT TYR 12 C -10.433 11.837 -12.564 -4.029 7 - - - - - - 14230 1PHT ASP 13 C -9.529 9.354 -12.543 -4.089 5 - - - - - - 14231 1PHT TYR 14 B -8.657 8.102 -11.331 -3.557 5 - - - - - - 14232 1PHT LYS 15 C -5.307 3.637 -8.268 -3.083 1 2194 165 1074 922 Permissive Selective 14233 1PHT LYS 16 T -5.042 3.571 -8.71 -3.223 1 2123 122 1029 759 Permissive Selective 14234 1PHT GLU 17 T -4.658 3.97 -9.072 -3.67 2 2006 98 957 592 Permissive Selective 14235 1PHT ARG 18 T -4.656 3.979 -9.075 -3.668 2 1869 68 875 437 Permissive Selective 14236 1PHT GLU 19 T -4.657 3.976 -9.074 -3.668 2 1443 26 794 296 Permissive Selective 14237 1PHT GLU 20 T -4.896 4.152 -9.478 -3.96 2 1120 16 728 175 Permissive Permissive 14238 1PHT ASP 21 B -5.093 4.425 -9.472 -4.151 2 798 3 660 115 Permissive Permissive 14239 1PHT ILE 22 C -8.017 6.97 -10.295 -3.209 4 582 5 576 73 Permissive Inactive 14240 1PHT ASP 23 C -9.437 8.583 -12.895 -4.004 5 475 9 484 40 Permissive Inactive 14241 1PHT LEU 24 B -9.23 8.927 -12.149 -3.85 5 334 24 425 23 Permissive Inactive 14242 1PHT HIS 25 T -8.621 7.866 -11.986 -3.846 5 224 31 385 16 Inactive Inactive 14243 1PHT LEU 26 T -8.52 8.122 -11.996 -3.866 5 218 52 374 16 Inactive Inactive 14244 1PHT GLY 27 T -8.515 8.152 -12.021 -3.884 5 183 166 364 17 Inactive Inactive 14245 1PHT ASP 28 E -8.579 8.164 -11.958 -3.901 5 207 198 362 17 Inactive Inactive 14246 1PHT ILE 29 E -8.709 7.952 -12.013 -3.916 5 244 349 361 22 Inactive Inactive 14247 1PHT LEU 30 E -9.526 9.889 -12.299 -4.087 5 252 435 373 30 Inactive Inactive 14248 1PHT THR 31 E -10.25 10.489 -14.135 -4.664 7 258 472 403 42 Inactive Inactive 14249 1PHT VAL 32 E -9.955 8.789 -14.675 -4.664 6 267 509 415 47 Inactive Inactive 14250 1PHT ASN 33 E -9.775 8.842 -14.481 -4.595 6 322 753 432 50 Permissive Inactive 14251 1PHT LYS 34 H -9.597 8.384 -14.26 -4.373 5 359 885 444 52 Selective Inactive 14252 1PHT GLY 35 H -8.599 6.375 -11.981 -3.314 5 397 1014 470 54 Selective Inactive 14253 1PHT SER 36 H -8.533 6.502 -11.888 -3.234 5 406 1060 499 59 Selective Inactive 14254 1PHT LEU 37 H -6.645 7.509 -9.292 -3.642 2 413 1121 528 62 Selective Inactive 14255 1PHT VAL 38 H -6.371 7.146 -9.04 -3.374 2 421 1260 545 67 Selective Inactive 14256 1PHT ALA 39 H -6.352 7.116 -9.092 -3.363 2 405 1303 563 77 Selective Inactive 14257 1PHT LEU 40 C -6.346 7.11 -9.121 -3.374 2 365 1227 573 86 Selective Inactive 14258 1PHT GLY 41 T -6.262 6.899 -9.477 -3.505 2 326 1226 575 95 Selective Inactive 14259 1PHT PHE 42 T -6.672 6.25 -9.802 -3.361 2 278 1125 577 106 Gatekeeper Inactive 14260 1PHT SER 43 T -7.235 5.783 -11.735 -4.075 3 267 1153 578 116 Gatekeeper Inactive 14261 1PHT ASP 44 T -7.323 5.714 -11.91 -4.247 3 261 1214 569 134 Gatekeeper Inactive 14262 1PHT GLY 45 T -7.416 5.643 -11.955 -4.362 5 252 1199 571 153 Gatekeeper Inactive 14263 1PHT GLN 46 G -9.228 7.098 -15.01 -5.003 6 196 983 570 178 Gatekeeper Inactive 14264 1PHT GLU 47 G -9.729 5.718 -15.481 -4.669 6 158 860 576 205 Gatekeeper Inactive 14265 1PHT ALA 48 G -9.601 7.649 -12.995 -3.703 5 112 748 566 222 Inactive Inactive 14266 1PHT ARG 49 C -9.712 8.654 -11.91 -3.256 5 87 721 561 249 Inactive Gatekeeper 14267 1PHT PRO 50 H -8.333 10.366 -9.611 -3.649 4 55 674 568 289 Inactive Gatekeeper 14268 1PHT GLU 51 H -7.786 11.186 -9.588 -4.147 4 45 531 586 326 Inactive Selective 14269 1PHT GLU 52 H -7.694 11.662 -9.62 -4.244 4 51 531 602 359 Inactive Selective 14270 1PHT ILE 53 H -7.704 11.776 -9.57 -4.268 4 71 582 634 405 Inactive Selective 14271 1PHT GLY 54 C -7.693 11.744 -9.616 -4.269 4 94 613 674 454 Inactive Selective 14272 1PHT TRP 55 E -7.911 12.275 -9.726 -4.525 4 154 707 717 490 Inactive Selective 14273 1PHT LEU 56 E -8.719 13.873 -10.172 -4.67 7 188 743 756 502 Inactive Selective 14274 1PHT ASN 57 E -9.697 11.202 -11.61 -4.021 4 228 825 775 492 Inactive Selective 14275 1PHT GLY 58 E -9.923 10.275 -12.109 -4.133 5 249 996 798 481 Gatekeeper Selective 14276 1PHT TYR 59 E -11.58 9.476 -16.088 -4.811 6 321 1282 826 486 Selective Selective 14277 1PHT ASN 60 E -8.371 6.246 -12.996 -4.739 5 403 1702 847 486 Selective Selective 14278 1PHT GLU 61 T -6.362 6.276 -10.662 -4.728 3 420 1908 885 505 Selective Selective 14279 1PHT THR 62 T -6.132 6.624 -10.771 -4.767 3 441 2199 911 513 Selective Selective 14280 1PHT THR 63 T -6.034 6.477 -10.759 -4.647 3 448 2365 911 513 Selective Selective 14281 1PHT GLY 64 T -6.033 6.476 -10.765 -4.646 3 458 2673 913 502 Selective Selective 14282 1PHT GLU 65 E -6.045 6.481 -10.721 -4.645 3 457 2820 901 480 Selective Selective 14283 1PHT ARG 66 E -6.539 6.747 -10.905 -4.536 3 436 2872 878 443 Selective Selective 14284 1PHT GLY 67 E -7.138 5.723 -10.744 -3.987 2 414 2992 856 404 Selective Selective 14285 1PHT ASP 68 E -9.392 9.557 -12.897 -4.267 5 344 2882 830 375 Selective Selective 14286 1PHT PHE 69 E -9.135 14.322 -9.131 -3.702 4 311 2788 829 373 Gatekeeper Selective 14287 1PHT PRO 70 E -7.106 12.405 -5.922 -2.959 4 276 2675 843 389 Gatekeeper Selective 14288 1PHT GLY 71 T -7.079 12.406 -6.083 -3.002 4 254 2483 867 412 Gatekeeper Selective 14289 1PHT THR 72 T -7.082 12.419 -6.05 -2.994 4 189 2206 869 415 Gatekeeper Selective 14290 1PHT TYR 73 T -7.083 12.421 -6.038 -2.993 4 - - - - - - 14291 1PHT VAL 74 E -7.081 12.351 -6.098 -3.004 4 - - - - - - 14292 1PHT GLU 75 E -8.457 12.019 -10.056 -3.965 4 - - - - - - 14293 1PHT TYR 76 E -8.659 11.883 -11.205 -4.543 5 - - - - - - 14294 1PHT ILE 77 E -7.268 8.653 -12.337 -5.873 5 - - - - - - 14295 1PHT GLY 78 E -6.787 7.169 -12.415 -5.673 3 - - - - - - 14296 1PHT ARG 79 E -5.744 6.034 -10.085 -4.694 3 - - - - - - 14297 1PHT LYS 80 E -3.834 3.968 -6.956 -3.58 1 - - - - - - 14298 1PHT LYS 81 E -1.709 2.874 -3.366 -2.405 1 - - - - - - 14299 1PHT ILE 82 C -0.084 2.915 -1.939 -2.396 1 - - - - - - 14300 1PHT SER 83 C -0.084 2.915 -1.939 -2.396 1 - - - - - - 14301 1PHT PRO 84 C -0.084 2.915 -1.939 -2.396 1 - - - - - - 14302 1PHT PRO 85 C -0.084 2.915 -1.939 -2.396 1 - - - - - - 14303 1POD ASN 1 C -10.844 7.191 -15.656 -4.347 6 - - - - - - 14304 1POD LEU 2 H -10.844 7.191 -15.656 -4.347 6 - - - - - - 14305 1POD VAL 3 H -10.844 7.191 -15.656 -4.347 6 - - - - - - 14306 1POD ASN 4 H -10.844 7.191 -15.656 -4.347 6 - - - - - - 14307 1POD PHE 5 H -13.305 17.548 -14.765 -5.02 8 - - - - - - 14308 1POD HIS 6 H -13.08 16.609 -14.948 -4.894 8 - - - - - - 14309 1POD ARG 7 H -12.727 14.997 -15.307 -4.745 8 - - - - - - 14310 1POD MET 8 H -12.507 14.925 -15.421 -4.877 8 - - - - - - 14311 1POD ILE 9 H -11.924 14.084 -15.049 -4.933 8 - - - - - - 14312 1POD LYS 10 H -9.889 9.65 -14.379 -5.239 6 - - - - - - 14313 1POD LEU 11 H -9.594 10.493 -14.404 -5.514 6 - - - - - - 14314 1POD THR 12 H -8.901 9.885 -14.397 -5.934 6 - - - - - - 14315 1POD THR 13 H -8.182 9.083 -13.69 -5.777 6 889 325 1922 4659 Inactive Selective 14316 1POD GLY 14 C -7.949 8.498 -13.736 -5.597 6 849 437 1896 4335 Inactive Selective 14317 1POD LYS 15 C -7.928 8.431 -13.731 -5.551 6 745 456 1860 4015 Inactive Selective 14318 1POD GLU 16 C -7.842 8.19 -13.614 -5.339 6 651 629 1827 3636 Inactive Selective 14319 1POD ALA 17 H -7.914 8.005 -13.512 -5.237 6 509 898 1786 3201 Inactive Selective 14320 1POD ALA 18 H -8.264 7.414 -13.612 -4.855 5 314 1041 1742 2761 Inactive Selective 14321 1POD LEU 19 H -8.746 7.555 -13.335 -4.388 5 260 1375 1716 2525 Inactive Selective 14322 1POD SER 20 H -8.937 7.365 -13.089 -4.248 5 304 2046 1697 2470 Inactive Selective 14323 1POD TYR 21 H -11.844 12.319 -15.644 -4.913 8 355 2704 1720 2587 Gatekeeper Selective 14324 1POD GLY 22 H -11.509 11.729 -15.859 -5.213 8 379 3500 1732 2653 Gatekeeper Selective 14325 1POD PHE 23 C -11.77 11.722 -15.995 -5.346 8 610 4487 1727 2662 Gatekeeper Selective 14326 1POD TYR 24 C -11.777 11.697 -16.025 -5.373 8 753 5812 1693 2562 Gatekeeper Selective 14327 1POD GLY 25 T -10.729 7.471 -17.215 -5.505 6 885 6947 1614 2357 Gatekeeper Selective 14328 1POD CYS 26 T -9.766 6.822 -16.148 -5.274 6 1156 8094 1531 2153 Gatekeeper Permissive 14329 1POD HIS 27 T -6.915 5.422 -12.308 -4.962 3 1332 9059 1452 1946 Gatekeeper Permissive 14330 1POD CYS 28 T -4.077 2.732 -9.835 -4.776 2 1568 10207 1368 1712 Gatekeeper Inactive 14331 1POD GLY 29 C -4.051 2.754 -9.915 -4.768 2 1845 11213 1301 1578 Gatekeeper Inactive 14332 1POD VAL 30 C -4.042 2.783 -9.943 -4.768 2 1974 11737 1245 1482 Gatekeeper Inactive 14333 1POD GLY 31 C -4.042 2.782 -9.943 -4.768 2 2279 12512 1220 1450 Selective Inactive 14334 1POD GLY 32 C -4.047 2.762 -9.924 -4.766 2 2562 12918 1192 1439 Selective Inactive 14335 1POD ARG 33 C -5.745 3.629 -11.726 -4.61 3 2584 12626 1191 1429 Selective Inactive 14336 1POD GLY 34 C -6.57 4.84 -11.924 -4.722 3 2677 12344 1176 1383 Selective Inactive 14337 1POD SER 35 C -9.202 7.954 -14.901 -4.869 6 2657 11680 1198 1412 Selective Inactive 14338 1POD PRO 36 C -9.14 10.071 -13.864 -5.026 6 2463 10821 1214 1522 Selective Inactive 14339 1POD LYS 37 C -9.331 10.705 -13.883 -5.244 6 2367 9557 1253 1667 Selective Inactive 14340 1POD ASP 38 C -9.334 10.706 -13.868 -5.245 6 2292 8571 1320 1899 Selective Inactive 14341 1POD ALA 39 H -9.425 10.933 -13.577 -5.21 6 2182 7692 1417 2225 Gatekeeper Gatekeeper 14342 1POD THR 40 H -9.7 11.786 -13.276 -5.385 6 2179 6922 1492 2649 Gatekeeper Selective 14343 1POD ASP 41 H -11.775 9.893 -17.644 -5.539 8 2356 6138 1584 3089 Selective Selective 14344 1POD ARG 42 H -11.01 7.784 -15.885 -4.417 6 2370 5278 1652 3308 Selective Selective 14345 1POD CYS 43 H -10.808 8.142 -15.939 -4.571 6 2428 4732 1718 3525 Selective Selective 14346 1POD CYS 44 H -10.774 8.165 -16 -4.583 6 2214 3824 1756 3727 Selective Selective 14347 1POD VAL 45 H -10.733 8.224 -16.089 -4.608 6 2090 3096 1792 3913 Gatekeeper Selective 14348 1POD THR 46 H -10.72 8.225 -16.171 -4.639 6 2156 2770 1814 4059 Gatekeeper Selective 14349 1POD HIS 47 H -11.212 8.973 -16.827 -4.997 6 2360 2646 1836 4159 Selective Selective 14350 1POD ASP 48 H -11.795 8.893 -17.799 -5.086 6 2778 2941 1848 4281 Selective Selective 14351 1POD CYS 49 H -12.119 8.935 -18.136 -5.234 6 3214 3154 1876 4362 Selective Selective 14352 1POD CYS 50 H -12.874 8.552 -19.937 -5.893 8 3499 3163 1924 4445 Selective Selective 14353 1POD TYR 51 H -15.23 13.094 -23.084 -7.037 8 3486 2920 1947 4375 Selective Selective 14354 1POD LYS 52 H -12.141 9.397 -17.92 -5.571 8 3399 2622 1926 4141 Selective Selective 14355 1POD ARG 53 H -11.031 8.245 -16.177 -4.725 6 3274 2325 1876 3744 Permissive Selective 14356 1POD LEU 54 H -8.649 7.04 -13.672 -4.886 5 2943 2042 1841 3380 Permissive Selective 14357 1POD GLU 55 H -6.89 4.165 -13.09 -4.964 3 2738 1826 1816 3226 Permissive Selective 14358 1POD LYS 56 H -6.416 4.124 -13.051 -5.007 3 2640 1946 1781 3019 Permissive Selective 14359 1POD ARG 57 H -6.233 4.498 -12.879 -5.006 3 2598 2199 1738 2776 Permissive Selective 14360 1POD GLY 58 C -6.121 5.254 -12.65 -5.104 3 2561 2484 1700 2489 Selective Selective 14361 1POD CYS 59 C -5.967 6.207 -12.147 -5.16 3 2455 2567 1648 2191 Selective Selective 14362 1POD GLY 60 T -5.595 9.085 -9.783 -5.075 3 2192 2499 1576 1894 Gatekeeper Permissive 14363 1POD THR 61 T -5.672 9.919 -9.288 -5.08 3 1803 2188 1483 1574 Inactive Permissive 14364 1POD LYS 62 T -5.737 10.422 -8.932 -5.089 4 1413 2062 1381 1281 Inactive Inactive 14365 1POD PHE 63 T -5.793 10.575 -8.671 -5.041 4 1152 2209 1260 998 Inactive Inactive 14366 1POD LEU 64 T -5.909 10.849 -8.255 -4.979 4 1061 2177 1144 798 Inactive Inactive 14367 1POD SER 65 C -8.076 11.993 -10.61 -5.07 4 995 2184 1035 677 Inactive Inactive 14368 1POD TYR 66 C -10.711 13.288 -14.164 -5.394 8 967 2216 965 617 Inactive Inactive 14369 1POD LYS 67 C -10.906 10.96 -15.614 -5.267 6 889 2120 859 505 Inactive Inactive 14370 1POD PHE 68 E -8.887 8.213 -13.295 -4.837 5 815 2048 749 356 Inactive Inactive 14371 1POD SER 69 E -8.446 6.029 -14.054 -4.598 5 743 1738 655 254 Inactive Inactive 14372 1POD ASN 70 E -7.362 4.547 -12.934 -4.322 5 728 1509 577 180 Inactive Inactive 14373 1POD SER 71 E -7.162 5.238 -12.631 -4.289 5 639 1324 512 135 Inactive Inactive 14374 1POD GLY 72 T -7.143 5.305 -12.656 -4.295 5 646 1283 474 126 Inactive Inactive 14375 1POD SER 73 T -7.173 5.161 -12.631 -4.268 5 701 1162 465 150 Inactive Inactive 14376 1POD ARG 74 E -7.205 5.259 -12.514 -4.266 5 908 1169 502 249 Inactive Inactive 14377 1POD ILE 75 E -7.799 7.139 -12.209 -4.3 5 1027 1048 577 449 Inactive Inactive 14378 1POD THR 76 E -8.8 8.009 -14.401 -4.993 6 1417 1098 669 806 Inactive Inactive 14379 1POD CYS 77 E -8.88 7.856 -15.738 -5.835 6 2010 1459 785 1263 Inactive Inactive 14380 1POD ALA 78 T -8.539 7.225 -15.52 -5.769 6 2706 1903 931 1821 Permissive Inactive 14381 1POD LYS 79 T -8.556 7.092 -15.711 -5.869 6 3593 2437 1092 2405 Selective Gatekeeper 14382 1POD GLN 80 T -8.606 6.733 -15.867 -5.877 6 4503 2994 1259 2988 Selective Gatekeeper 14383 1POD ASP 81 C -8.673 6.656 -15.766 -5.837 6 5133 3417 1426 3488 Selective Selective 14384 1POD SER 82 H -8.902 6.492 -15.595 -5.673 6 5623 3748 1569 3910 Selective Selective 14385 1POD CYS 83 H -10.038 6.185 -17.658 -5.865 6 6037 4050 1692 4253 Selective Selective 14386 1POD ARG 84 H -10.841 6.265 -18.027 -5.389 6 6316 4109 1790 4518 Selective Selective 14387 1POD SER 85 H -11.595 7.917 -18.128 -5.248 6 6376 4197 1869 4717 Selective Selective 14388 1POD GLN 86 H -11.708 10.269 -17.657 -5.673 8 6330 4300 1938 4908 Selective Selective 14389 1POD LEU 87 H -11.76 10.41 -17.654 -5.723 8 6116 4259 1962 4900 Selective Selective 14390 1POD CYS 88 H -11.767 10.32 -17.689 -5.729 8 6040 4342 1943 4740 Selective Selective 14391 1POD GLU 89 H -11.713 9.831 -17.961 -5.7 8 5625 4102 1880 4398 Selective Selective 14392 1POD CYS 90 H -11.735 9.613 -18.028 -5.666 8 5060 3747 1771 3938 Selective Selective 14393 1POD ASP 91 H -12.139 8.313 -18.813 -5.119 6 4377 3280 1610 3374 Selective Selective 14394 1POD LYS 92 H -11.036 9.288 -15.294 -4.453 6 3495 2705 1432 2786 Selective Selective 14395 1POD ALA 93 H -9.926 8.212 -14.13 -4.23 5 2587 2144 1254 2203 Permissive Gatekeeper 14396 1POD ALA 94 H -9.926 8.258 -14.105 -4.228 5 1947 1690 1074 1702 Inactive Inactive 14397 1POD ALA 95 H -9.924 8.296 -14.095 -4.23 5 1432 1285 914 1275 Inactive Inactive 14398 1POD THR 96 H -9.801 8.898 -13.998 -4.298 5 997 919 772 921 Inactive Inactive 14399 1POD CYS 97 H -9.857 8.893 -13.938 -4.303 5 695 743 637 642 Inactive Inactive 14400 1POD PHE 98 H -10.649 11.659 -14.056 -4.666 7 624 557 511 418 Inactive Inactive 14401 1POD ALA 99 H -8.085 7.125 -12.218 -4.379 5 684 399 389 181 Inactive Inactive 14402 1POD ARG 100 H -7.457 6.308 -12.34 -4.419 5 1190 388 293 74 Inactive Inactive 14403 1POD ASN 101 H -7.452 6.335 -12.367 -4.432 5 1520 254 222 29 Inactive Inactive 14404 1POD LYS 102 G -7.425 6.446 -12.43 -4.467 5 1859 217 182 20 Inactive Inactive 14405 1POD THR 103 G -7.33 6.572 -12.523 -4.515 5 2177 196 198 38 Inactive Inactive 14406 1POD THR 104 G -7.47 6.564 -12.713 -4.611 5 2602 199 243 63 Permissive Inactive 14407 1POD TYR 105 C -8.037 8.506 -13.193 -5.015 5 3169 354 296 116 Permissive Inactive 14408 1POD ASN 106 T -7.938 8.731 -13.14 -5.068 5 3893 479 353 189 Permissive Inactive 14409 1POD LYS 107 T -7.997 8.765 -13.068 -5.055 5 4458 658 424 272 Permissive Inactive 14410 1POD LYS 108 T -8.356 9.975 -13.07 -5.27 6 5090 922 500 376 Permissive Inactive 14411 1POD TYR 109 T -8.637 10.855 -12.865 -5.39 6 5759 1229 569 469 Permissive Inactive 14412 1POD GLN 110 T -8.904 10.079 -13.192 -5.374 6 6105 1644 636 548 Permissive Inactive 14413 1POD TYR 111 T -10.573 12.438 -13.964 -5.364 6 6221 1922 693 628 Permissive Inactive 14414 1POD TYR 112 T -10.726 6.722 -16.728 -4.992 6 - - - - - - 14415 1POD SER 113 C -9.035 4.243 -15.862 -4.982 6 - - - - - - 14416 1POD ASN 114 G -8.962 4.313 -16.047 -5.018 6 - - - - - - 14417 1POD LYS 115 G -6.959 3.759 -13.326 -4.884 3 - - - - - - 14418 1POD HIS 116 G -6.907 3.929 -13.484 -4.94 3 - - - - - - 14419 1POD CYS 117 C -6.684 5.059 -13.417 -5.321 3 - - - - - - 14420 1POD ARG 118 C -5.279 6.701 -9.812 -4.973 3 - - - - - - 14421 1POD GLY 119 C -3.041 6.076 -6.175 -4.282 2 - - - - - - 14422 1POD SER 120 C -2.704 6.003 -5.686 -3.821 1 - - - - - - 14423 1POD THR 121 C -1.782 5.958 -3.539 -2.999 1 - - - - - - 14424 1POD PRO 122 C -1.782 5.958 -3.539 -2.999 1 - - - - - - 14425 1POD ARG 123 C -1.782 5.958 -3.539 -2.999 1 - - - - - - 14426 1POD CYS 124 C -1.782 5.958 -3.539 -2.999 1 - - - - - - 14427 1QB0 ASP 374 C -7.29 4.914 -12.89 -4.331 5 - - - - - - 14428 1QB0 HIS 375 C -7.29 4.914 -12.89 -4.331 5 - - - - - - 14429 1QB0 ARG 376 C -7.29 4.914 -12.89 -4.331 5 - - - - - - 14430 1QB0 GLU 377 C -7.29 4.914 -12.89 -4.331 5 - - - - - - 14431 1QB0 LEU 378 B -7.981 6.953 -13.01 -4.842 3 - - - - - - 14432 1QB0 ILE 379 T -9.805 11.095 -14.707 -5.622 6 - - - - - - 14433 1QB0 GLY 380 T -10.162 11.52 -15.248 -5.651 6 - - - - - - 14434 1QB0 ASP 381 T -9.96 11.721 -14.528 -5.391 6 - - - - - - 14435 1QB0 TYR 382 T -9.954 11.771 -14.526 -5.391 6 - - - - - - 14436 1QB0 SER 383 C -10.006 11.792 -14.606 -5.47 6 - - - - - - 14437 1QB0 LYS 384 C -10.058 11.802 -14.566 -5.5 6 - - - - - - 14438 1QB0 ALA 385 B -10.338 12.948 -13.954 -5.368 7 - - - - - - 14439 1QB0 PHE 386 C -10.478 17.779 -11.849 -5.497 7 731 135 1408 1534 Permissive Permissive 14440 1QB0 LEU 387 C -8.011 13.496 -9.529 -4.857 4 744 135 1442 1648 Permissive Permissive 14441 1QB0 LEU 388 C -7.143 10.331 -10.408 -4.837 4 754 136 1491 1845 Permissive Permissive 14442 1QB0 GLN 389 C -5.203 6.577 -9.619 -4.851 3 766 127 1530 2003 Permissive Permissive 14443 1QB0 THR 390 C -5.023 6.901 -9.787 -4.979 3 776 125 1564 2099 Permissive Permissive 14444 1QB0 VAL 391 B -5.015 6.91 -9.822 -4.984 3 777 138 1564 2170 Permissive Permissive 14445 1QB0 ASP 392 C -5.004 6.849 -9.897 -4.99 3 787 140 1571 2251 Permissive Permissive 14446 1QB0 GLY 393 T -5.014 6.79 -9.9 -4.995 3 773 140 1574 2343 Permissive Permissive 14447 1QB0 LYS 394 T -5.727 7.629 -10.628 -5.328 3 698 135 1556 2424 Permissive Permissive 14448 1QB0 HIS 395 T -6.894 6.516 -12.936 -5.261 3 603 120 1513 2506 Permissive Permissive 14449 1QB0 GLN 396 T -7.103 6.023 -13.068 -5.231 3 539 119 1468 2577 Permissive Permissive 14450 1QB0 ASP 397 T -8.247 5.708 -14.962 -5.481 6 457 109 1414 2597 Permissive Selective 14451 1QB0 LEU 398 T -9.628 8.806 -15.56 -5.678 6 325 91 1369 2601 Inactive Selective 14452 1QB0 LYS 399 C -10.471 10.925 -15.595 -5.997 8 207 74 1322 2648 Inactive Selective 14453 1QB0 TYR 400 E -12.23 15.329 -15.398 -5.482 8 208 130 1277 2629 Inactive Selective 14454 1QB0 ILE 401 E -8.948 12.422 -10.545 -4.311 4 217 155 1212 2487 Inactive Inactive 14455 1QB0 SER 402 C -8.734 12.646 -10.862 -4.503 5 186 186 1154 2356 Inactive Inactive 14456 1QB0 PRO 403 H -8.651 12.837 -10.961 -4.56 7 164 193 1090 2283 Inactive Inactive 14457 1QB0 GLU 404 H -8.45 12.778 -11.148 -4.676 7 150 176 1018 2171 Inactive Inactive 14458 1QB0 THR 405 H -8.447 12.801 -11.151 -4.677 7 123 169 956 2038 Inactive Inactive 14459 1QB0 MET 406 H -8.776 13.118 -11.609 -4.951 7 114 170 893 1875 Inactive Inactive 14460 1QB0 VAL 407 H -8.809 14.18 -10.848 -4.736 7 121 172 815 1678 Inactive Inactive 14461 1QB0 ALA 408 H -8.152 14.273 -9.545 -4.595 4 124 173 751 1493 Inactive Inactive 14462 1QB0 LEU 409 H -6.155 13.333 -6.943 -4.606 4 124 175 701 1334 Inactive Inactive 14463 1QB0 LEU 410 H -6.019 13.239 -7.206 -4.623 4 124 175 658 1230 Inactive Inactive 14464 1QB0 THR 411 H -5.898 12.481 -7.649 -4.562 4 135 148 638 1152 Inactive Inactive 14465 1QB0 GLY 412 T -5.601 10.808 -8.256 -4.486 4 168 144 627 1084 Inactive Inactive 14466 1QB0 LYS 413 T -5.57 10.742 -8.302 -4.459 4 172 88 618 1045 Inactive Inactive 14467 1QB0 PHE 414 T -5.817 9.411 -9.088 -4.364 4 180 73 612 1071 Inactive Inactive 14468 1QB0 SER 415 T -5.901 8.834 -9.267 -4.309 4 253 60 592 1153 Inactive Inactive 14469 1QB0 ASN 416 T -6.022 8.764 -9.205 -4.314 4 358 79 602 1266 Inactive Inactive 14470 1QB0 ILE 417 T -6.99 10.829 -9.278 -4.097 4 391 105 626 1452 Inactive Inactive 14471 1QB0 VAL 418 E -7.63 11.98 -9.521 -4.168 4 427 134 657 1747 Inactive Inactive 14472 1QB0 ASP 419 E -8.272 10.028 -11.563 -4.465 5 442 149 698 2192 Inactive Inactive 14473 1QB0 LYS 420 E -9.353 11.469 -12.787 -4.853 7 522 263 767 2849 Permissive Gatekeeper 14474 1QB0 PHE 421 E -10.515 16.766 -11.938 -4.696 7 635 412 847 3518 Permissive Gatekeeper 14475 1QB0 VAL 422 E -10.593 16.958 -11.789 -4.642 7 667 462 924 4189 Permissive Gatekeeper 14476 1QB0 ILE 423 E -10.832 17.782 -11.424 -4.593 7 714 573 1027 4831 Permissive Gatekeeper 14477 1QB0 VAL 424 E -11.091 18.289 -10.94 -4.38 7 725 616 1127 5501 Permissive Gatekeeper 14478 1QB0 ASP 425 E -11.769 17.32 -12.287 -4.443 7 720 707 1243 6080 Permissive Selective 14479 1QB0 CYS 426 C -12.324 15.37 -13.699 -4.563 7 739 749 1344 6585 Permissive Selective 14480 1QB0 ARG 427 C -14.984 15.889 -18.39 -5.657 8 724 762 1456 7008 Permissive Selective 14481 1QB0 TYR 428 C -16.628 18.709 -21.009 -6.52 8 658 772 1566 7274 Permissive Selective 14482 1QB0 PRO 429 H -14.997 16.884 -18.283 -5.969 8 565 755 1623 7346 Permissive Selective 14483 1QB0 TYR 430 H -14.816 16.82 -18.622 -6.111 8 612 762 1664 7255 Permissive Selective 14484 1QB0 GLU 431 H -12.249 11.925 -17.379 -6.073 8 592 737 1664 7011 Permissive Selective 14485 1QB0 TYR 432 H -11.579 11.719 -16.616 -5.728 8 583 854 1619 6602 Permissive Selective 14486 1QB0 GLU 433 H -10.312 11.698 -14.212 -5.249 6 556 973 1564 5977 Selective Selective 14487 1QB0 GLY 434 H -10.241 11.759 -14.324 -5.253 6 461 1004 1509 5346 Selective Selective 14488 1QB0 GLY 435 C -9.855 11.769 -13.947 -5.148 6 431 969 1447 4712 Gatekeeper Selective 14489 1QB0 HIS 436 E -9.318 12.489 -12.544 -4.894 7 388 862 1351 4114 Gatekeeper Selective 14490 1QB0 ILE 437 E -8.439 12.711 -10.342 -4.344 4 360 826 1247 3512 Inactive Selective 14491 1QB0 LYS 438 T -8.375 12.477 -10.534 -4.357 4 326 745 1137 3023 Inactive Gatekeeper 14492 1QB0 THR 439 T -8.196 12.525 -10.466 -4.318 4 300 714 1058 2641 Inactive Gatekeeper 14493 1QB0 ALA 440 T -8.208 12.562 -10.387 -4.294 4 295 700 988 2345 Inactive Inactive 14494 1QB0 VAL 441 E -8.259 12.559 -10.265 -4.249 4 313 682 920 2154 Inactive Inactive 14495 1QB0 ASN 442 E -8.763 12.279 -10.997 -4.331 4 347 692 884 2102 Inactive Inactive 14496 1QB0 LEU 443 C -8.942 12.827 -10.42 -4.22 4 313 672 848 2147 Inactive Inactive 14497 1QB0 PRO 444 C -10.422 14.796 -12.061 -4.308 7 328 671 837 2244 Inactive Inactive 14498 1QB0 LEU 445 C -10.577 14.495 -12.795 -4.62 7 363 540 846 2363 Inactive Inactive 14499 1QB0 GLU 446 H -11.014 12.68 -14.679 -5.006 7 387 312 860 2478 Inactive Inactive 14500 1QB0 ARG 447 H -11.01 12.31 -14.83 -4.968 6 443 164 879 2546 Inactive Inactive 14501 1QB0 ASP 448 H -10.948 12.334 -14.89 -4.968 7 663 661 888 2580 Permissive Gatekeeper 14502 1QB0 ALA 449 H -11.276 12.15 -15.411 -4.977 8 779 990 905 2582 Selective Gatekeeper 14503 1QB0 GLU 450 H -11.743 13.2 -15.56 -4.902 8 899 1384 942 2493 Selective Inactive 14504 1QB0 SER 451 H -10.515 14.867 -11.692 -4.327 7 1026 1798 961 2342 Selective Inactive 14505 1QB0 PHE 452 H -9.599 15.245 -10.195 -4.198 7 1183 2332 975 2150 Selective Inactive 14506 1QB0 LEU 453 H -8.07 13.272 -8.552 -3.821 4 1223 2631 971 1911 Selective Inactive 14507 1QB0 LEU 454 H -7.177 12.073 -8.085 -3.686 4 1234 2883 984 1677 Selective Inactive 14508 1QB0 LYS 455 H -6.633 10.1 -8.509 -3.555 4 1223 3168 993 1451 Selective Inactive 14509 1QB0 SER 456 C -6.59 10.189 -8.522 -3.534 4 1257 3476 1010 1228 Selective Inactive 14510 1QB0 PRO 457 C -6.426 10.408 -8.372 -3.516 4 1427 3883 1045 1030 Selective Inactive 14511 1QB0 ILE 458 C -6.43 10.227 -8.47 -3.52 4 1542 4012 1113 843 Selective Inactive 14512 1QB0 ALA 459 C -5.52 6.554 -8.781 -3.605 2 1845 4280 1170 719 Selective Inactive 14513 1QB0 PRO 460 T -4.191 4.921 -7.885 -3.736 2 2133 4407 1229 692 Selective Inactive 14514 1QB0 CYS 461 T -3.933 4.777 -8.302 -3.949 2 2316 3993 1294 769 Selective Permissive 14515 1QB0 SER 462 T -3.935 4.753 -8.304 -3.951 2 2632 3703 1355 952 Selective Permissive 14516 1QB0 LEU 463 T -3.935 4.749 -8.302 -3.951 2 2896 3387 1398 1304 Selective Permissive 14517 1QB0 ASP 464 T -3.97 4.679 -8.27 -3.97 2 3197 3044 1459 1771 Selective Permissive 14518 1QB0 LYS 465 T -4.549 4.521 -9.054 -4.332 2 3476 2585 1524 2373 Selective Permissive 14519 1QB0 ARG 466 E -9.862 8.992 -15.071 -5.24 6 3944 2409 1594 3147 Selective Selective 14520 1QB0 VAL 467 E -10.914 12.195 -14.619 -5.265 6 4508 2280 1648 4057 Selective Selective 14521 1QB0 ILE 468 E -12.543 20.369 -12.551 -4.771 7 4879 2150 1700 5087 Selective Selective 14522 1QB0 LEU 469 E -12.677 21.63 -11.476 -4.469 7 5050 2225 1763 6232 Selective Selective 14523 1QB0 ILE 470 E -12.686 21.628 -11.417 -4.447 7 4953 2039 1810 7485 Selective Selective 14524 1QB0 PHE 471 E -12.732 21.695 -11.299 -4.441 7 4850 2098 1848 8840 Selective Selective 14525 1QB0 HIS 472 E -13.463 20.26 -14.189 -5.198 8 4484 1982 1900 10285 Selective Selective 14526 1QB0 CYS 473 T -12.829 11.942 -18.384 -6.017 8 4175 2030 1940 11668 Selective Selective 14527 1QB0 GLU 474 T -12.45 10.835 -18.745 -6.04 8 3832 2154 1980 12976 Selective Selective 14528 1QB0 PHE 475 T -12.368 10.765 -18.876 -6.044 8 3490 2373 2026 14189 Selective Selective 14529 1QB0 SER 476 T -12.025 9.715 -19.102 -6.02 8 3257 2598 2071 15292 Selective Selective 14530 1QB0 SER 477 C -11.892 9.784 -18.914 -5.909 8 2961 2727 2110 16297 Selective Selective 14531 1QB0 GLU 478 H -11.962 9.497 -19.013 -5.84 8 2706 2878 2137 17181 Selective Selective 14532 1QB0 ARG 479 H -12.108 9.28 -19.062 -5.789 8 2375 2944 2173 17800 Selective Selective 14533 1QB0 GLY 480 H -12.065 9.63 -18.74 -5.686 8 2064 3096 2226 18136 Selective Selective 14534 1QB0 PRO 481 H -12.444 10.706 -18.166 -5.41 8 1871 3023 2273 18121 Selective Selective 14535 1QB0 ARG 482 H -12.89 11.292 -18.09 -5.307 8 2159 2689 2296 17771 Selective Selective 14536 1QB0 MET 483 H -13.156 12.36 -17.407 -5.272 8 2400 2527 2295 17210 Selective Selective 14537 1QB0 CYS 484 H -13.175 12.363 -17.316 -5.262 8 2597 2394 2294 16403 Selective Selective 14538 1QB0 ARG 485 H -15.313 15.308 -19.84 -5.637 8 2712 2256 2293 15365 Selective Selective 14539 1QB0 PHE 486 H -15.011 16.761 -18.53 -5.646 8 2704 2075 2264 14211 Selective Selective 14540 1QB0 ILE 487 H -14.723 15.866 -18.76 -5.59 8 2647 1853 2207 12920 Selective Selective 14541 1QB0 ARG 488 H -14.766 15.67 -18.753 -5.558 8 2558 1597 2141 11556 Selective Selective 14542 1QB0 GLU 489 H -14.191 12.256 -19.528 -5.353 8 2398 1302 2055 10153 Selective Selective 14543 1QB0 ARG 490 H -13.28 10.392 -18.496 -4.912 8 2299 1155 1969 8735 Selective Selective 14544 1QB0 ASP 491 H -12.524 9.282 -18.375 -5.094 6 2105 997 1874 7332 Selective Selective 14545 1QB0 ARG 492 H -10.3 6.661 -16.118 -4.865 6 1911 829 1782 6073 Permissive Selective 14546 1QB0 ALA 493 H -7.544 7.819 -11.63 -4.655 5 1616 582 1684 4987 Permissive Selective 14547 1QB0 VAL 494 H -7.284 7.839 -11.723 -4.621 5 1398 543 1599 4226 Permissive Selective 14548 1QB0 ASN 495 C -6.928 7.629 -11.625 -4.588 3 855 617 1523 3776 Permissive Selective 14549 1QB0 ASP 496 T -6.568 9.223 -10.369 -4.503 4 522 686 1450 3398 Permissive Selective 14550 1QB0 TYR 497 T -6.569 9.233 -10.36 -4.502 4 269 737 1368 3212 Inactive Selective 14551 1QB0 PRO 498 T -6.695 9.564 -10.07 -4.467 4 171 958 1275 3192 Gatekeeper Selective 14552 1QB0 SER 499 T -6.778 9.82 -9.794 -4.453 4 237 1244 1206 3339 Gatekeeper Gatekeeper 14553 1QB0 LEU 500 T -7.034 11.142 -8.868 -4.401 4 247 1446 1166 3768 Gatekeeper Gatekeeper 14554 1QB0 TYR 501 T -10.889 15.805 -11.838 -4.724 7 258 1557 1140 4446 Gatekeeper Gatekeeper 14555 1QB0 TYR 502 T -13.504 19.596 -14.054 -5.013 8 268 1567 1141 5133 Gatekeeper Gatekeeper 14556 1QB0 PRO 503 T -14.329 19.651 -15.375 -5.197 8 242 1532 1134 5730 Gatekeeper Gatekeeper 14557 1QB0 GLU 504 T -15.087 20.418 -16.816 -5.758 8 296 1702 1128 6209 Gatekeeper Gatekeeper 14558 1QB0 MET 505 E -15.425 20.738 -17.529 -5.934 8 331 1878 1100 6487 Gatekeeper Gatekeeper 14559 1QB0 TYR 506 E -12.693 18.304 -13.636 -5.341 8 347 1996 1075 6598 Gatekeeper Gatekeeper 14560 1QB0 ILE 507 E -9.205 14.195 -11.001 -5.133 7 364 1982 1054 6504 Gatekeeper Gatekeeper 14561 1QB0 LEU 508 E -9.193 14.216 -11.06 -5.143 7 379 1951 1030 6284 Gatekeeper Gatekeeper 14562 1QB0 LYS 509 T -9.191 14.217 -11.08 -5.146 7 410 2047 1023 6030 Gatekeeper Gatekeeper 14563 1QB0 GLY 510 T -9.171 14.154 -11.214 -5.161 7 407 2098 1015 5710 Gatekeeper Gatekeeper 14564 1QB0 GLY 511 H -9.171 14.151 -11.213 -5.161 7 370 1999 1016 5324 Gatekeeper Gatekeeper 14565 1QB0 TYR 512 H -10.861 13.623 -14.801 -5.627 8 263 1930 1020 4884 Gatekeeper Gatekeeper 14566 1QB0 LYS 513 H -10.981 13.672 -14.692 -5.499 8 248 1827 1024 4271 Gatekeeper Gatekeeper 14567 1QB0 GLU 514 H -10.806 14.759 -13.742 -5.268 7 232 1876 999 3466 Gatekeeper Gatekeeper 14568 1QB0 PHE 515 H -10.853 17.813 -11.604 -4.792 7 222 2169 960 2688 Gatekeeper Gatekeeper 14569 1QB0 PHE 516 H -9.714 13.191 -11.532 -4.308 7 216 2238 922 2021 Gatekeeper Inactive 14570 1QB0 PRO 517 H -8.67 9.881 -12.034 -4.39 5 164 2099 912 1453 Gatekeeper Inactive 14571 1QB0 GLN 518 H -8.645 9.97 -12.092 -4.414 5 128 1938 905 1071 Gatekeeper Inactive 14572 1QB0 HIS 519 C -8.639 9.968 -12.129 -4.427 5 112 1807 922 845 Gatekeeper Inactive 14573 1QB0 PRO 520 G -8.633 9.932 -12.196 -4.448 5 93 1836 935 754 Gatekeeper Inactive 14574 1QB0 ASN 521 G -8.715 9.554 -12.333 -4.491 5 73 1761 976 735 Gatekeeper Inactive 14575 1QB0 PHE 522 G -9.963 12.556 -14.027 -5.198 6 30 1562 1023 833 Gatekeeper Inactive 14576 1QB0 CYS 523 E -9.312 8.449 -14.557 -5 6 27 1414 1070 942 Gatekeeper Inactive 14577 1QB0 GLU 524 E -9.282 8.674 -14.467 -5 6 24 1275 1113 1042 Gatekeeper Inactive 14578 1QB0 PRO 525 T -9.323 8.401 -14.47 -4.964 6 17 1032 1145 1137 Gatekeeper Inactive 14579 1QB0 GLN 526 T -9.336 8.352 -14.444 -4.957 6 17 931 1192 1226 Gatekeeper Inactive 14580 1QB0 ASP 527 C -9.36 8.177 -14.441 -4.946 6 18 765 1251 1290 Inactive Permissive 14581 1QB0 TYR 528 C -10.564 13.291 -13.579 -5.166 7 18 446 1321 1362 Inactive Permissive 14582 1QB0 ARG 529 C -10.532 13.002 -13.784 -5.229 7 16 344 1367 1410 Inactive Permissive 14583 1QB0 PRO 530 T -7.692 9.96 -11.422 -5.21 3 18 234 1376 1426 Inactive Permissive 14584 1QB0 MET 531 T -7.044 9.561 -11.274 -5.229 3 28 185 1399 1420 Inactive Permissive 14585 1QB0 ASN 532 T -6.435 10.361 -10.084 -5.105 3 38 157 1409 1397 Inactive Permissive 14586 1QB0 HIS 533 T -6.326 10.221 -10.156 -5.033 3 46 78 1414 1342 Inactive Permissive 14587 1QB0 GLU 534 T -6.27 10.091 -10.273 -5.014 3 50 48 1383 1250 Inactive Permissive 14588 1QB0 ALA 535 T -6.319 10.101 -10.193 -4.995 3 52 21 1347 1081 Inactive Permissive 14589 1QB0 PHE 536 T -6.448 10.281 -9.949 -4.936 4 52 9 1297 904 Inactive Permissive 14590 1QB0 LYS 537 H -7.07 9.283 -11.015 -4.756 3 66 4 1242 755 Inactive Inactive 14591 1QB0 ASP 538 H -7.546 8.958 -11.835 -4.866 5 - - - - - - 14592 1QB0 GLU 539 H -8.488 9.458 -13.335 -5.032 5 - - - - - - 14593 1QB0 LEU 540 H -8.817 9.326 -13.513 -5.002 6 - - - - - - 14594 1QB0 LYS 541 H -8.814 9.348 -13.496 -4.992 6 - - - - - - 14595 1QB0 THR 542 H -9.009 9.425 -13.066 -4.791 5 - - - - - - 14596 1QB0 PHE 543 H -10.634 13.306 -13.457 -4.698 7 - - - - - - 14597 1QB0 ARG 544 H -10.47 12.136 -14.668 -5.208 6 - - - - - - 14598 1QB0 LEU 545 H -8.729 8.121 -14.448 -5.649 6 - - - - - - 14599 1QB0 LYS 546 C -8.124 7.907 -13.666 -5.289 6 - - - - - - 14600 1QB0 THR 547 C -5.795 5.991 -9.369 -3.87 2 - - - - - - 14601 1QB0 ARG 548 C -5.795 5.991 -9.369 -3.87 2 - - - - - - 14602 1QB0 SER 549 C -5.795 5.991 -9.369 -3.87 2 - - - - - - 14603 1QB0 TRP 550 C -5.795 5.991 -9.369 -3.87 2 - - - - - - 14604 1QDD GLN 1 T -0.735 0.313 -8.524 -5.387 2 - - - - - - 14605 1QDD GLU 2 T -0.735 0.313 -8.524 -5.387 2 - - - - - - 14606 1QDD ALA 3 T -0.735 0.313 -8.524 -5.387 2 - - - - - - 14607 1QDD GLN 4 T -0.735 0.313 -8.524 -5.387 2 - - - - - - 14608 1QDD THR 5 C -0.737 0.354 -8.506 -5.394 2 - - - - - - 14609 1QDD GLU 6 C -0.774 0.396 -8.406 -5.412 2 - - - - - - 14610 1QDD LEU 7 C -0.912 0.621 -8.049 -5.369 2 - - - - - - 14611 1QDD PRO 8 C -1.551 0.722 -7.814 -5.083 2 - - - - - - 14612 1QDD GLN 9 G -3.237 1.94 -7.968 -3.73 1 - - - - - - 14613 1QDD ALA 10 G -4.367 1.594 -10.96 -4.982 3 - - - - - - 14614 1QDD ARG 11 G -7.404 3.215 -17.578 -7.175 6 - - - - - - 14615 1QDD ILE 12 C -5.973 5.141 -8.235 -2.887 1 - - - - - - 14616 1QDD SER 13 C -5.036 4.024 -8.806 -3.498 2 716 1444 1274 602 Gatekeeper Gatekeeper 14617 1QDD CYS 14 C -2.948 4.993 -5.531 -3.717 1 1118 2075 1377 705 Selective Gatekeeper 14618 1QDD PRO 15 T -2.728 5.265 -5.271 -3.545 1 1743 3096 1461 839 Selective Selective 14619 1QDD GLU 16 T -2.7 5.308 -5.318 -3.539 1 2643 4151 1513 1023 Selective Selective 14620 1QDD GLY 17 T -2.702 5.308 -5.308 -3.542 1 3358 5152 1568 1194 Selective Selective 14621 1QDD THR 18 T -2.712 5.332 -5.247 -3.539 1 4145 5753 1582 1367 Selective Selective 14622 1QDD ASN 19 E -3.343 5.844 -4.836 -3.145 1 4959 6450 1598 1541 Selective Selective 14623 1QDD ALA 20 E -4.534 6.092 -6.195 -3.337 1 5784 6984 1597 1692 Selective Selective 14624 1QDD TYR 21 E -8.821 11.752 -10.714 -3.867 4 6806 7690 1583 1787 Selective Selective 14625 1QDD ARG 22 T -8.943 11.739 -10.478 -3.72 4 7750 8128 1581 1882 Selective Selective 14626 1QDD SER 23 T -9.056 11.738 -10.195 -3.605 4 8355 8603 1573 1985 Selective Selective 14627 1QDD TYR 24 E -9.38 12.775 -9.268 -3.412 4 8958 9120 1551 2103 Selective Selective 14628 1QDD CYS 25 E -10.751 12.543 -11.491 -3.82 7 9201 9104 1499 2222 Selective Selective 14629 1QDD TYR 26 E -13.237 14.19 -14.501 -4.258 7 9169 8861 1445 2270 Selective Selective 14630 1QDD TYR 27 E -13.171 15.784 -14.82 -5.229 8 8854 8267 1387 2233 Selective Gatekeeper 14631 1QDD PHE 28 E -11.097 12.536 -14.153 -5.269 8 8257 7254 1307 2120 Selective Gatekeeper 14632 1QDD ASN 29 E -10.595 10.406 -14.696 -5.009 6 7396 6203 1219 1935 Selective Gatekeeper 14633 1QDD GLU 30 E -10.208 9.661 -14.17 -4.577 6 6710 5204 1132 1747 Selective Gatekeeper 14634 1QDD ASP 31 E -10.207 9.665 -14.173 -4.577 6 5954 4590 1069 1542 Selective Gatekeeper 14635 1QDD ARG 32 E -10.21 9.632 -14.172 -4.571 6 5177 3881 1001 1325 Selective Gatekeeper 14636 1QDD GLU 33 E -10.165 9.47 -14.01 -4.399 5 4374 3155 928 1127 Selective Gatekeeper 14637 1QDD THR 34 C -9.304 11.389 -10.789 -3.817 4 3407 2270 874 979 Selective Gatekeeper 14638 1QDD TRP 35 H -9.365 11.685 -10.487 -3.783 4 2578 1899 802 825 Selective Gatekeeper 14639 1QDD VAL 36 H -9.252 10.948 -10.877 -3.684 4 2140 1485 726 666 Selective Gatekeeper 14640 1QDD ASP 37 H -9.252 10.948 -10.878 -3.685 4 1908 1230 635 493 Permissive Inactive 14641 1QDD ALA 38 H -9.288 10.939 -10.712 -3.636 4 1764 1226 559 318 Permissive Inactive 14642 1QDD ASP 39 H -10.267 7.608 -12.807 -3.242 5 1790 1372 500 193 Selective Inactive 14643 1QDD LEU 40 H -10.257 7.535 -12.896 -3.263 5 2082 1622 473 122 Selective Inactive 14644 1QDD TYR 41 H -11.755 9.074 -15.633 -4.12 6 2408 1985 486 96 Selective Inactive 14645 1QDD CYS 42 H -9.622 6.651 -13.797 -4.227 5 2632 2405 525 86 Selective Inactive 14646 1QDD GLN 43 H -7.714 6.036 -11.74 -4.104 5 2745 2575 568 86 Selective Inactive 14647 1QDD ASN 44 H -6.26 5.983 -9.502 -3.786 2 2761 2629 617 98 Selective Inactive 14648 1QDD MET 45 T -6.252 6.005 -9.527 -3.786 2 2745 2622 650 105 Selective Inactive 14649 1QDD ASN 46 T -6.246 6.041 -9.538 -3.785 2 2724 2609 682 102 Selective Inactive 14650 1QDD SER 47 T -6.247 6.043 -9.526 -3.784 2 2671 2558 696 101 Selective Inactive 14651 1QDD GLY 48 T -6.297 6.047 -9.34 -3.756 2 2555 2464 702 97 Selective Inactive 14652 1QDD ASN 49 E -8.438 8.576 -11.087 -3.734 5 2323 2317 701 92 Selective Inactive 14653 1QDD LEU 50 E -8.889 9.635 -10.722 -3.698 4 1908 2002 725 101 Selective Inactive 14654 1QDD VAL 51 C -10.065 12 -11.553 -3.607 7 1660 1786 763 119 Selective Inactive 14655 1QDD SER 52 C -10.39 12.905 -11.941 -3.861 7 1384 1500 776 124 Selective Inactive 14656 1QDD VAL 53 C -9.385 10.554 -11.333 -3.748 4 1019 1227 752 124 Permissive Inactive 14657 1QDD LEU 54 C -9.286 10.113 -11.728 -3.803 5 685 889 719 120 Inactive Inactive 14658 1QDD THR 55 C -9.114 9.162 -12.059 -3.715 5 441 468 685 116 Inactive Inactive 14659 1QDD GLN 56 H -9.004 8.406 -12.336 -3.672 5 316 300 673 116 Inactive Inactive 14660 1QDD ALA 57 H -9.012 8.368 -12.326 -3.668 5 288 249 669 123 Inactive Inactive 14661 1QDD GLU 58 H -9.365 6.973 -13.183 -3.595 5 314 294 700 131 Inactive Inactive 14662 1QDD GLY 59 H -9.413 7.353 -12.799 -3.453 5 352 362 746 158 Inactive Inactive 14663 1QDD ALA 60 H -9.735 7.978 -12.648 -3.432 5 510 389 811 183 Inactive Inactive 14664 1QDD PHE 61 H -10.538 12.349 -11.388 -3.308 7 721 440 884 222 Inactive Inactive 14665 1QDD VAL 62 H -10.503 12.733 -11.207 -3.282 7 775 449 965 252 Inactive Inactive 14666 1QDD ALA 63 H -10.335 13.014 -11.417 -3.522 7 782 425 1006 256 Inactive Inactive 14667 1QDD SER 64 H -9.414 11.522 -10.364 -3.498 4 795 412 1001 241 Inactive Inactive 14668 1QDD LEU 65 H -8.84 11.802 -9.419 -3.323 4 893 446 1033 252 Inactive Inactive 14669 1QDD ILE 66 H -6.568 7.615 -8.026 -3.275 2 993 471 1084 262 Inactive Inactive 14670 1QDD LYS 67 H -5.489 6.124 -8.323 -3.715 2 1045 490 1154 284 Permissive Inactive 14671 1QDD GLU 68 H -5.14 5.328 -9.103 -3.979 2 1093 526 1240 325 Permissive Inactive 14672 1QDD SER 69 H -5.131 5.317 -9.155 -3.987 2 1110 545 1287 369 Permissive Inactive 14673 1QDD GLY 70 C -5.107 5.266 -9.239 -3.989 2 1116 538 1354 409 Permissive Inactive 14674 1QDD THR 71 C -5.158 5.063 -9.355 -4.054 2 1081 518 1396 452 Permissive Inactive 14675 1QDD ASP 72 C -5.546 4.349 -10.256 -4.288 2 1030 484 1416 483 Permissive Permissive 14676 1QDD ASP 73 C -6.81 4.464 -11.582 -4.137 3 844 492 1436 516 Inactive Permissive 14677 1QDD PHE 74 C -7.001 4.309 -11.289 -4.027 3 634 655 1453 530 Inactive Permissive 14678 1QDD ASN 75 E -9.201 7.255 -13.308 -4.363 5 590 759 1462 536 Inactive Permissive 14679 1QDD VAL 76 E -10.212 9.867 -12.936 -3.994 5 587 918 1489 550 Inactive Selective 14680 1QDD TRP 77 E -11.153 18.5 -8.943 -3.29 7 612 1071 1559 605 Inactive Selective 14681 1QDD ILE 78 E -11.031 18.002 -9.535 -3.465 7 564 1088 1598 651 Inactive Selective 14682 1QDD GLY 79 E -10.629 15.45 -10.684 -3.701 7 689 1194 1641 689 Inactive Selective 14683 1QDD LEU 80 E -10.073 13.343 -10.469 -3.439 7 762 1180 1666 707 Inactive Selective 14684 1QDD HIS 81 E -7.353 8.988 -8.376 -3.362 4 880 1157 1656 702 Inactive Selective 14685 1QDD ASP 82 T -5.507 6.923 -7.383 -3.451 2 1075 1212 1666 680 Permissive Selective 14686 1QDD PRO 83 T -5.436 6.944 -7.625 -3.503 2 1268 1288 1653 653 Permissive Selective 14687 1QDD LYS 84 T -5.43 6.926 -7.673 -3.506 2 1419 1253 1647 637 Permissive Selective 14688 1QDD LYS 85 T -5.43 6.925 -7.673 -3.506 2 1533 1209 1653 616 Permissive Selective 14689 1QDD ASN 86 C -5.453 6.844 -7.645 -3.512 2 1652 1153 1645 590 Permissive Selective 14690 1QDD ARG 87 C -6.673 6.961 -9.754 -3.897 2 1684 954 1630 582 Permissive Selective 14691 1QDD ALA 88 C -8.075 5.486 -11.874 -3.759 5 1715 847 1620 583 Permissive Selective 14692 1QDD TRP 89 C -10.648 11.786 -12.199 -3.79 7 1772 694 1626 601 Permissive Selective 14693 1QDD HIS 90 E -10.956 11.843 -13.01 -4.05 7 1750 553 1596 590 Permissive Selective 14694 1QDD TRP 91 E -10.409 11.037 -12.948 -4.421 7 1692 508 1565 562 Permissive Selective 14695 1QDD SER 92 T -7.433 4.614 -11.568 -3.91 3 1455 372 1522 536 Permissive Permissive 14696 1QDD SER 93 T -5.645 4.863 -9.281 -3.772 2 1314 358 1483 518 Permissive Permissive 14697 1QDD GLY 94 T -5.289 4.42 -9.139 -3.516 2 1133 400 1479 514 Permissive Permissive 14698 1QDD SER 95 C -5.289 4.421 -9.14 -3.516 2 932 700 1486 526 Inactive Permissive 14699 1QDD LEU 96 C -5.274 4.545 -9.102 -3.5 2 743 1099 1502 541 Inactive Permissive 14700 1QDD VAL 97 C -5.289 4.549 -9.037 -3.489 2 595 1586 1507 543 Gatekeeper Permissive 14701 1QDD SER 98 C -5.725 4.194 -8.899 -3.189 1 493 2125 1522 556 Gatekeeper Selective 14702 1QDD TYR 99 C -7.431 9.47 -7.783 -2.92 4 401 2800 1548 574 Gatekeeper Selective 14703 1QDD LYS 100 C -6.684 9.582 -7.31 -3.102 4 374 3739 1594 584 Gatekeeper Selective 14704 1QDD SER 101 C -6.247 8.453 -7.771 -3.414 2 445 5130 1643 615 Gatekeeper Selective 14705 1QDD TRP 102 B -4.092 8.058 -4.537 -3.112 1 420 6552 1685 626 Gatekeeper Selective 14706 1QDD GLY 103 T -2.174 4.37 -4.065 -2.984 1 499 7916 1734 625 Gatekeeper Selective 14707 1QDD ILE 104 T -2.169 4.38 -4.098 -2.986 1 563 8933 1780 655 Gatekeeper Selective 14708 1QDD GLY 105 T -2.169 4.378 -4.097 -2.986 1 613 9841 1849 718 Gatekeeper Selective 14709 1QDD ALA 106 T -2.17 4.376 -4.095 -2.986 1 634 10397 1898 750 Gatekeeper Selective 14710 1QDD PRO 107 T -2.185 4.219 -4.111 -2.97 1 644 10668 1908 760 Gatekeeper Selective 14711 1QDD SER 108 T -3.916 3.846 -7.467 -3.097 1 618 10298 1895 762 Gatekeeper Selective 14712 1QDD SER 109 T -3.122 3.418 -6.109 -2.976 1 591 9827 1878 758 Gatekeeper Selective 14713 1QDD VAL 110 T -3.118 3.443 -6.117 -2.979 1 578 9344 1859 738 Gatekeeper Selective 14714 1QDD ASN 111 T -3.119 3.443 -6.116 -2.98 1 566 8873 1823 714 Gatekeeper Selective 14715 1QDD PRO 112 T -3.161 3.378 -6.084 -3.013 1 536 8235 1774 686 Gatekeeper Selective 14716 1QDD GLY 113 C -3.264 3.403 -5.725 -2.941 1 500 7248 1712 655 Gatekeeper Selective 14717 1QDD TYR 114 C -6.129 7.655 -7.562 -3.411 2 398 5843 1653 612 Gatekeeper Selective 14718 1QDD CYS 115 E -8.835 9.528 -10.86 -3.948 5 339 4410 1615 590 Gatekeeper Selective 14719 1QDD VAL 116 E -10.721 12.436 -11.785 -3.804 7 240 3034 1583 581 Gatekeeper Selective 14720 1QDD SER 117 E -11.815 11.481 -14.389 -3.859 7 184 2008 1542 533 Gatekeeper Permissive 14721 1QDD LEU 118 E -9.674 9.836 -12.031 -3.951 5 134 1091 1460 453 Inactive Permissive 14722 1QDD THR 119 E -6.741 6.217 -10.009 -3.961 2 133 522 1406 414 Inactive Inactive 14723 1QDD SER 120 G -6.72 6.361 -9.995 -3.948 2 131 203 1367 384 Inactive Inactive 14724 1QDD SER 121 G -6.712 6.433 -9.994 -3.944 2 134 197 1351 360 Inactive Inactive 14725 1QDD THR 122 G -6.71 6.449 -9.997 -3.945 2 139 198 1321 334 Inactive Inactive 14726 1QDD GLY 123 T -6.714 6.427 -9.984 -3.945 2 144 211 1292 315 Inactive Inactive 14727 1QDD PHE 124 T -8.477 10.808 -9.793 -3.651 4 148 220 1268 309 Inactive Inactive 14728 1QDD GLN 125 T -9.127 11.609 -10.181 -3.818 4 154 192 1246 297 Inactive Inactive 14729 1QDD LYS 126 E -10.208 12.646 -11.536 -4.357 7 163 275 1250 287 Inactive Inactive 14730 1QDD TRP 127 E -12.289 16.823 -13.035 -4.397 7 179 366 1244 278 Inactive Inactive 14731 1QDD LYS 128 E -10.73 9.841 -13.881 -4.258 5 213 456 1204 258 Inactive Inactive 14732 1QDD ASP 129 E -9.414 7.989 -12.532 -3.765 5 241 526 1187 267 Inactive Inactive 14733 1QDD VAL 130 E -7.226 6.89 -8.827 -2.943 2 271 695 1205 336 Inactive Inactive 14734 1QDD PRO 131 T -5.826 6.956 -7.519 -3.237 2 305 839 1230 425 Inactive Inactive 14735 1QDD CYS 132 T -5.816 7.016 -7.55 -3.249 2 - - - - - - 14736 1QDD GLU 133 T -5.813 7.045 -7.569 -3.258 2 - - - - - - 14737 1QDD ASP 134 T -5.814 7.043 -7.56 -3.257 2 - - - - - - 14738 1QDD LYS 135 C -5.87 7.061 -7.443 -3.29 2 - - - - - - 14739 1QDD PHE 136 E -8.073 11.038 -9.861 -4.185 4 - - - - - - 14740 1QDD SER 137 E -8.803 11.57 -10.753 -4.588 5 - - - - - - 14741 1QDD PHE 138 E -11.908 17.166 -11.751 -4.334 7 - - - - - - 14742 1QDD VAL 139 E -12.732 18.92 -10.591 -3.71 7 - - - - - - 14743 1QDD CYS 140 E -14.42 16.793 -15.116 -4.34 8 - - - - - - 14744 1QDD LYS 141 E -12.488 13.828 -13.344 -4.051 7 - - - - - - 14745 1QDD PHE 142 E -12.488 13.828 -13.344 -4.051 7 - - - - - - 14746 1QDD LYS 143 E -12.488 13.828 -13.344 -4.051 7 - - - - - - 14747 1QDD ASN 144 C -12.488 13.828 -13.344 -4.051 7 - - - - - - 14748 1QKT ASN 304 C -5.144 3.984 -6.982 -2.143 1 - - - - - - 14749 1QKT SER 305 T -5.144 3.984 -6.982 -2.143 1 - - - - - - 14750 1QKT LEU 306 T -5.144 3.984 -6.982 -2.143 1 - - - - - - 14751 1QKT ALA 307 T -5.144 3.984 -6.982 -2.143 1 - - - - - - 14752 1QKT LEU 308 T -7.004 5.591 -9.061 -2.455 2 - - - - - - 14753 1QKT SER 309 T -7.71 6.732 -11.131 -3.674 3 - - - - - - 14754 1QKT LEU 310 T -8.451 8.636 -12.471 -4.604 5 - - - - - - 14755 1QKT THR 311 C -9.141 8.27 -13.68 -4.423 5 - - - - - - 14756 1QKT ALA 312 H -9.403 7.317 -12.859 -3.204 5 - - - - - - 14757 1QKT ASP 313 H -9.523 6.761 -12.893 -3.103 5 - - - - - - 14758 1QKT GLN 314 H -9.611 6.872 -12.947 -3.246 5 - - - - - - 14759 1QKT MET 315 H -10.304 8.126 -13.879 -3.97 5 - - - - - - 14760 1QKT VAL 316 H -11.753 11.393 -14.921 -4.378 7 614 2131 390 38 Gatekeeper Inactive 14761 1QKT SER 317 H -11.224 9.691 -14.092 -3.818 5 677 2650 355 34 Gatekeeper Inactive 14762 1QKT ALA 318 H -11.092 9.917 -13.757 -3.614 5 747 3110 329 40 Gatekeeper Inactive 14763 1QKT LEU 319 H -10.973 9.927 -13.485 -3.398 5 855 3716 321 60 Selective Inactive 14764 1QKT LEU 320 H -10.262 9.659 -12.219 -3.082 5 922 4172 334 94 Selective Inactive 14765 1QKT ASP 321 H -9.706 9.141 -12.029 -3.174 5 957 4708 395 133 Selective Inactive 14766 1QKT ALA 322 H -7.549 10.84 -8.336 -3.724 4 1018 5208 467 182 Selective Inactive 14767 1QKT GLU 323 C -7.037 11.026 -7.6 -3.329 4 1025 5479 543 236 Selective Inactive 14768 1QKT PRO 324 C -6.806 11.205 -6.688 -2.798 4 1128 6377 634 289 Selective Inactive 14769 1QKT PRO 325 C -6.799 11.222 -6.708 -2.801 4 1115 6666 718 335 Selective Inactive 14770 1QKT ILE 326 C -6.802 11.234 -6.687 -2.8 4 982 6403 814 368 Selective Inactive 14771 1QKT LEU 327 C -6.993 11.368 -6.091 -2.441 4 883 5974 896 398 Selective Inactive 14772 1QKT TYR 328 C -7.45 11.608 -4.958 -1.745 4 787 5427 966 423 Selective Inactive 14773 1QKT SER 329 C -9.239 11.659 -9.569 -3.1 4 665 4751 1047 444 Gatekeeper Permissive 14774 1QKT GLU 330 C -7.269 7.522 -9.315 -3.427 4 592 4240 1113 460 Gatekeeper Permissive 14775 1QKT TYR 331 C -6.241 7.104 -8.172 -3.06 2 517 3798 1204 479 Gatekeeper Permissive 14776 1QKT ASP 332 T -3.9 4.79 -6.309 -3.334 1 406 3233 1299 507 Gatekeeper Permissive 14777 1QKT PRO 333 T -3.899 4.797 -6.313 -3.333 1 336 2801 1396 533 Gatekeeper Permissive 14778 1QKT THR 334 T -3.899 4.798 -6.314 -3.332 1 281 2263 1456 570 Gatekeeper Permissive 14779 1QKT ARG 335 T -3.899 4.794 -6.31 -3.328 1 212 1763 1495 584 Gatekeeper Permissive 14780 1QKT PRO 336 T -3.903 4.781 -6.301 -3.329 1 187 1492 1526 598 Gatekeeper Permissive 14781 1QKT PHE 337 T -6.238 7.549 -8.494 -2.963 2 84 594 1525 617 Gatekeeper Permissive 14782 1QKT SER 338 T -6.29 7.473 -8.529 -2.997 2 69 290 1516 648 Inactive Permissive 14783 1QKT GLU 339 T -6.316 7.523 -8.549 -3.067 2 57 180 1499 694 Inactive Permissive 14784 1QKT ALA 340 T -6.434 7.719 -8.599 -3.244 2 51 132 1511 792 Inactive Permissive 14785 1QKT SER 341 C -7.111 8.944 -9.673 -4.123 4 49 107 1538 931 Inactive Permissive 14786 1QKT MET 342 H -8.935 8.942 -10.942 -3.333 5 49 97 1562 1117 Inactive Permissive 14787 1QKT MET 343 H -10.369 10.532 -13.077 -3.745 7 52 88 1616 1405 Inactive Permissive 14788 1QKT GLY 344 H -10.364 10.369 -13.112 -3.711 7 61 70 1653 1679 Inactive Permissive 14789 1QKT LEU 345 H -10.694 11.011 -13.171 -3.806 7 75 27 1645 1907 Inactive Permissive 14790 1QKT LEU 346 H -10.813 11.115 -12.934 -3.71 7 87 2 1605 2128 Inactive Selective 14791 1QKT THR 347 H -10.462 9.82 -13.707 -4.023 5 94 2 1570 2301 Inactive Selective 14792 1QKT ASN 348 H -10.77 8.639 -14.475 -4.14 6 109 2 1531 2539 Inactive Selective 14793 1QKT LEU 349 H -10.877 8.714 -14.703 -4.443 6 120 0 1495 2783 Inactive Selective 14794 1QKT ALA 350 H -10.879 8.7 -14.703 -4.447 6 125 0 1460 2997 Inactive Selective 14795 1QKT ASP 351 H -10.895 8.642 -14.698 -4.473 6 143 0 1411 3229 Inactive Selective 14796 1QKT ARG 352 H -13.897 11.3 -17.654 -3.984 8 153 1 1347 3444 Inactive Selective 14797 1QKT GLU 353 H -13.663 13.098 -16.535 -4.141 8 159 6 1265 3554 Inactive Selective 14798 1QKT LEU 354 H -13.351 13.687 -14.773 -3.446 7 200 109 1169 3576 Inactive Selective 14799 1QKT VAL 355 H -11.926 11.495 -13.193 -3.279 7 201 155 1076 3546 Inactive Selective 14800 1QKT HIS 356 H -11.925 11.59 -13.152 -3.282 7 205 220 966 3404 Inactive Gatekeeper 14801 1QKT MET 357 H -11.817 12.554 -13.162 -3.565 7 196 254 852 3249 Inactive Gatekeeper 14802 1QKT ILE 358 H -11.735 13.091 -12.99 -3.579 7 177 313 770 3104 Inactive Gatekeeper 14803 1QKT ASN 359 H -11.745 13.063 -13.011 -3.597 7 161 346 706 2957 Gatekeeper Gatekeeper 14804 1QKT TRP 360 H -12.382 16.841 -12.889 -4.258 7 168 434 646 2790 Gatekeeper Gatekeeper 14805 1QKT ALA 361 H -11.547 14.76 -11.818 -3.565 7 163 477 607 2571 Gatekeeper Gatekeeper 14806 1QKT LYS 362 H -10.895 12.44 -10.071 -2.196 4 154 497 570 2339 Gatekeeper Gatekeeper 14807 1QKT ARG 363 H -10.826 12.78 -10.032 -2.231 7 155 524 544 2185 Gatekeeper Gatekeeper 14808 1QKT VAL 364 T -10.632 13.021 -9.681 -2.094 4 154 551 552 2034 Gatekeeper Gatekeeper 14809 1QKT PRO 365 T -10.508 12.752 -9.85 -2.118 4 153 565 580 1907 Gatekeeper Inactive 14810 1QKT GLY 366 T -9.713 12.802 -10.293 -3.468 4 147 561 603 1849 Gatekeeper Inactive 14811 1QKT PHE 367 G -9.712 13.116 -10.591 -3.799 7 155 460 644 1888 Gatekeeper Inactive 14812 1QKT VAL 368 G -9.617 12.556 -10.661 -3.636 4 157 414 666 1933 Gatekeeper Inactive 14813 1QKT ASP 369 G -9.625 12.424 -10.815 -3.706 4 153 349 682 2013 Gatekeeper Gatekeeper 14814 1QKT LEU 370 C -9.625 12.397 -10.937 -3.777 4 163 315 694 2140 Inactive Gatekeeper 14815 1QKT THR 371 C -10.252 11.374 -11.967 -3.528 7 168 256 708 2293 Inactive Gatekeeper 14816 1QKT LEU 372 H -10.406 10.311 -11.859 -3.05 5 183 224 716 2455 Inactive Gatekeeper 14817 1QKT HIS 373 H -11 10.756 -13.4 -3.638 7 175 136 718 2741 Inactive Gatekeeper 14818 1QKT ASP 374 H -11.284 10.905 -14.112 -4.067 7 179 93 719 3029 Inactive Gatekeeper 14819 1QKT GLN 375 H -11.986 10.689 -15.565 -4.474 8 210 75 714 3304 Inactive Gatekeeper 14820 1QKT VAL 376 H -12.69 13.409 -15.234 -4.603 8 250 50 701 3475 Inactive Gatekeeper 14821 1QKT HIS 377 H -13.223 15.072 -14.76 -4.128 7 333 27 667 3598 Inactive Gatekeeper 14822 1QKT LEU 378 H -13.134 14.901 -14.152 -3.713 7 362 22 626 3709 Inactive Gatekeeper 14823 1QKT LEU 379 H -13.102 14.986 -14.082 -3.675 7 387 23 594 3808 Inactive Gatekeeper 14824 1QKT GLU 380 H -13.045 15.046 -14.113 -3.697 7 433 40 547 3860 Inactive Gatekeeper 14825 1QKT SER 381 H -13.246 14.714 -14.642 -3.855 7 553 103 512 3911 Inactive Gatekeeper 14826 1QKT ALA 382 H -13.247 16.448 -13.927 -4.007 7 727 181 496 4014 Inactive Gatekeeper 14827 1QKT TRP 383 H -13.418 17.862 -14.212 -4.627 7 878 228 482 3995 Permissive Gatekeeper 14828 1QKT LEU 384 H -13.32 17.636 -14.024 -4.487 7 980 237 473 3938 Permissive Gatekeeper 14829 1QKT GLU 385 H -13.252 18.058 -13.74 -4.489 7 1057 240 487 3870 Permissive Gatekeeper 14830 1QKT ILE 386 H -11.625 16.47 -11.185 -3.995 7 1211 248 526 3735 Permissive Gatekeeper 14831 1QKT LEU 387 H -11.274 16.282 -11.695 -4.407 7 1243 260 560 3582 Permissive Gatekeeper 14832 1QKT MET 388 H -11.178 16.011 -11.512 -4.125 7 1283 309 621 3429 Permissive Gatekeeper 14833 1QKT ILE 389 H -11.149 16.035 -11.417 -4.033 7 1351 398 714 3308 Selective Gatekeeper 14834 1QKT GLY 390 H -11.153 16.018 -11.407 -4.032 7 1314 441 805 3202 Selective Gatekeeper 14835 1QKT LEU 391 H -11.479 15.767 -11.681 -4.082 7 1411 505 899 3066 Selective Gatekeeper 14836 1QKT VAL 392 H -12.107 15.05 -10.376 -2.489 7 1525 655 996 2938 Selective Gatekeeper 14837 1QKT TRP 393 H -12.843 16.39 -10.236 -2.441 7 1566 769 1094 2801 Selective Selective 14838 1QKT ARG 394 H -14.477 12.392 -17.461 -4.032 8 1503 954 1194 2668 Selective Selective 14839 1QKT SER 395 H -10.408 7.976 -13.546 -3.811 5 1360 1061 1277 2427 Selective Selective 14840 1QKT MET 396 T -8.062 6.39 -9.774 -2.823 2 1222 1181 1378 2333 Selective Selective 14841 1QKT GLU 397 T -6.275 6.101 -7.336 -2.548 1 1168 1455 1443 2295 Selective Selective 14842 1QKT HIS 398 T -6.26 6.247 -7.381 -2.582 1 1189 1905 1486 2272 Selective Selective 14843 1QKT PRO 399 T -6.259 6.258 -7.383 -2.582 1 1139 2478 1486 2268 Selective Selective 14844 1QKT GLY 400 T -6.26 6.257 -7.378 -2.581 1 1136 2541 1488 2268 Selective Selective 14845 1QKT LYS 401 E -6.288 6.252 -7.264 -2.57 1 1119 2549 1457 2265 Selective Selective 14846 1QKT LEU 402 E -8.412 12.105 -9.12 -3.831 4 1131 2666 1409 2266 Selective Selective 14847 1QKT LEU 403 E -9.96 12.765 -8.988 -2.794 4 1152 2894 1378 2304 Selective Selective 14848 1QKT PHE 404 E -11.597 19.665 -9.927 -3.977 7 1086 3041 1349 2357 Selective Selective 14849 1QKT ALA 405 E -10.417 14.402 -9.696 -3.175 7 1088 3100 1323 2363 Selective Selective 14850 1QKT PRO 406 T -10.31 14.415 -9.943 -3.251 7 1019 3098 1303 2349 Selective Selective 14851 1QKT ASN 407 T -10.353 13.93 -10.014 -3.18 7 1010 2868 1266 2298 Selective Selective 14852 1QKT LEU 408 E -10.36 13.892 -9.992 -3.175 7 1128 2828 1240 2262 Selective Selective 14853 1QKT LEU 409 E -10.366 13.832 -10.013 -3.182 7 1165 2714 1173 2136 Selective Selective 14854 1QKT LEU 410 E -11.327 14.324 -11.531 -3.671 7 1127 2465 1119 1965 Selective Permissive 14855 1QKT ASP 411 E -11.662 6.927 -16.936 -4.384 6 1034 2057 1053 1770 Selective Permissive 14856 1QKT ARG 412 G -10.651 7.93 -15.934 -5.082 6 954 1508 1016 1551 Selective Inactive 14857 1QKT ASN 413 G -9.787 6.518 -14.989 -4.491 6 1002 1552 1000 1346 Selective Inactive 14858 1QKT GLN 414 G -9.728 6.559 -14.839 -4.338 6 967 1502 1007 1165 Selective Inactive 14859 1QKT GLY 415 G -7.348 4.925 -10.217 -2.983 1 857 1298 1018 1033 Selective Inactive 14860 1QKT LYS 416 T -6.395 4.549 -10.015 -3.317 2 777 1023 1033 867 Selective Inactive 14861 1QKT SER 417 T -6.342 4.788 -10.144 -3.429 2 720 802 1036 731 Gatekeeper Inactive 14862 1QKT VAL 418 T -6.341 4.803 -10.141 -3.428 2 597 591 1016 656 Gatekeeper Inactive 14863 1QKT GLU 419 T -6.339 4.808 -10.147 -3.424 2 567 463 985 628 Gatekeeper Inactive 14864 1QKT GLY 420 T -6.453 4.811 -10.153 -3.526 2 539 449 949 643 Gatekeeper Inactive 14865 1QKT MET 421 H -7.721 7.483 -11.564 -4.471 5 428 305 921 711 Inactive Inactive 14866 1QKT VAL 422 H -8.956 8.299 -11.568 -3.276 5 432 255 925 852 Inactive Inactive 14867 1QKT GLU 423 H -9.217 7.951 -11.355 -3.032 5 470 234 944 1084 Inactive Inactive 14868 1QKT ILE 424 H -9.739 10.419 -11.115 -3.553 4 576 220 986 1455 Inactive Inactive 14869 1QKT PHE 425 H -12.36 15.135 -13.818 -4.489 7 682 217 1033 1915 Inactive Inactive 14870 1QKT ASP 426 H -12.515 14.444 -14.42 -4.67 7 802 100 1088 2503 Permissive Selective 14871 1QKT MET 427 H -12.416 15.482 -14.016 -4.921 8 1002 99 1132 2981 Permissive Selective 14872 1QKT LEU 428 H -12.05 14.715 -13.575 -4.383 7 1185 102 1163 3253 Permissive Selective 14873 1QKT LEU 429 H -11.989 14.068 -13.741 -4.209 7 1395 110 1185 3460 Permissive Selective 14874 1QKT ALA 430 H -11.97 13.866 -13.879 -4.192 7 1619 130 1206 3597 Permissive Selective 14875 1QKT THR 431 H -11.995 13.948 -13.783 -4.202 7 1882 141 1243 3663 Permissive Selective 14876 1QKT SER 432 H -12.319 12.569 -13.83 -3.571 7 2224 167 1287 3709 Permissive Selective 14877 1QKT SER 433 H -13.17 8.346 -15.965 -2.902 6 2374 238 1357 3792 Permissive Selective 14878 1QKT ARG 434 H -13.965 8.252 -18.044 -3.703 6 2513 324 1428 3906 Permissive Selective 14879 1QKT PHE 435 H -15.429 13.009 -18.861 -4.222 8 2521 388 1492 4079 Selective Selective 14880 1QKT ARG 436 H -14.8 10.537 -19.509 -4.544 8 2495 380 1560 4154 Selective Selective 14881 1QKT MET 437 H -12.127 9.821 -17.254 -5.692 8 2373 350 1590 4037 Selective Selective 14882 1QKT MET 438 H -11.755 10.286 -16.628 -5.336 8 2246 322 1605 3809 Permissive Selective 14883 1QKT ASN 439 C -10.052 9.09 -11.675 -3.271 5 2037 320 1563 3388 Permissive Selective 14884 1QKT LEU 440 C -10.036 9.146 -11.758 -3.299 5 1822 312 1514 3121 Permissive Selective 14885 1QKT GLN 441 C -10.03 9.183 -11.792 -3.314 5 1666 316 1470 3093 Permissive Selective 14886 1QKT GLY 442 H -10.007 9.603 -11.727 -3.389 5 1527 324 1419 3192 Permissive Selective 14887 1QKT GLU 443 H -10.022 9.58 -11.625 -3.352 5 1328 311 1371 3417 Permissive Selective 14888 1QKT GLU 444 H -11.36 14.416 -13.742 -5.103 7 1078 313 1323 3690 Permissive Selective 14889 1QKT PHE 445 H -11.529 15.488 -13.398 -5.36 8 767 337 1271 3953 Selective Selective 14890 1QKT VAL 446 H -11.6 15.87 -13.15 -5.433 8 626 276 1190 4061 Inactive Selective 14891 1QKT CYS 447 H -13.033 16.812 -14.778 -5.078 8 455 213 1094 4050 Inactive Selective 14892 1QKT LEU 448 H -12.934 17.477 -14.127 -4.894 8 387 156 993 3892 Inactive Gatekeeper 14893 1QKT LYS 449 H -12.824 17.393 -13.667 -4.57 7 393 192 896 3675 Inactive Gatekeeper 14894 1QKT SER 450 H -12.355 17.876 -11.673 -3.73 7 470 308 837 3493 Inactive Gatekeeper 14895 1QKT ILE 451 H -12.171 17.957 -11.366 -3.608 7 541 425 807 3323 Gatekeeper Gatekeeper 14896 1QKT ILE 452 H -12.013 17.756 -11.533 -3.815 7 574 466 806 3184 Gatekeeper Gatekeeper 14897 1QKT LEU 453 H -11.89 16.7 -12.12 -3.884 7 593 476 805 2986 Gatekeeper Gatekeeper 14898 1QKT LEU 454 H -11.771 15.51 -12.365 -3.7 7 558 476 811 2708 Gatekeeper Gatekeeper 14899 1QKT ASN 455 H -11.123 10.364 -13.954 -3.846 7 526 473 828 2370 Gatekeeper Gatekeeper 14900 1QKT SER 456 H -10.304 8.604 -13.698 -3.804 5 522 468 861 1964 Gatekeeper Inactive 14901 1QKT GLY 457 T -9.827 11.341 -12.561 -4.407 7 515 456 894 1558 Gatekeeper Inactive 14902 1QKT VAL 458 T -9.221 11.886 -10.773 -3.795 4 477 403 908 1160 Gatekeeper Inactive 14903 1QKT TYR 459 T -8.939 10.585 -10.534 -3.321 4 483 389 927 870 Gatekeeper Inactive 14904 1QKT THR 460 T -8.538 8.744 -9.986 -2.657 4 486 365 962 640 Gatekeeper Inactive 14905 1QKT PHE 461 T -8.124 7.832 -10.45 -2.946 5 529 355 997 473 Gatekeeper Inactive 14906 1QKT LEU 462 C -6.02 3.223 -10.283 -3.64 2 499 314 1047 407 Inactive Permissive 14907 1QKT SER 463 C -5.988 3.297 -10.325 -3.619 2 423 196 1098 399 Inactive Permissive 14908 1QKT SER 464 C -5.962 3.355 -10.286 -3.559 2 348 78 1142 424 Inactive Permissive 14909 1QKT THR 465 C -5.96 3.349 -10.307 -3.566 2 326 37 1174 500 Inactive Permissive 14910 1QKT LEU 466 H -5.963 3.319 -10.318 -3.57 2 313 27 1200 628 Inactive Permissive 14911 1QKT LYS 467 H -7.235 5.007 -10.613 -2.884 1 329 16 1185 795 Inactive Permissive 14912 1QKT SER 468 H -7.582 4.974 -10.283 -2.585 1 303 3 1163 913 Inactive Permissive 14913 1QKT LEU 469 H -8.332 5.369 -12.336 -3.405 5 289 1 1122 990 Inactive Permissive 14914 1QKT GLU 470 H -8.716 5.525 -12.531 -3.583 5 297 0 1080 1105 Inactive Permissive 14915 1QKT GLU 471 H -11.145 8.898 -16.279 -5.386 6 283 0 1070 1265 Inactive Permissive 14916 1QKT LYS 472 H -13.112 10.801 -17.412 -4.482 8 254 0 1058 1455 Inactive Permissive 14917 1QKT ASP 473 H -11.632 12.406 -12.65 -3.448 7 252 0 1028 1610 Inactive Inactive 14918 1QKT HIS 474 H -11.631 12.551 -12.517 -3.408 7 211 0 1003 1759 Inactive Inactive 14919 1QKT ILE 475 H -11.595 12.718 -12.443 -3.347 7 224 1 961 1885 Inactive Inactive 14920 1QKT HIS 476 H -11.368 12.126 -12.668 -3.232 7 231 1 903 1988 Inactive Gatekeeper 14921 1QKT ARG 477 H -11.33 12.109 -12.783 -3.279 7 242 2 833 2007 Inactive Gatekeeper 14922 1QKT VAL 478 H -11.761 11.883 -13.357 -3.189 7 264 2 781 1973 Inactive Gatekeeper 14923 1QKT LEU 479 H -11.684 11.786 -13.311 -3.134 7 267 2 754 1903 Inactive Inactive 14924 1QKT ASP 480 H -10.816 9.281 -13.249 -3.26 5 256 2 767 1819 Inactive Inactive 14925 1QKT LYS 481 H -10.674 9.801 -13.231 -3.489 5 262 2 772 1815 Inactive Inactive 14926 1QKT ILE 482 H -10.061 12.924 -11.869 -4.33 7 304 10 803 1875 Inactive Inactive 14927 1QKT THR 483 H -9.931 12.842 -11.806 -4.187 7 296 15 858 1881 Inactive Inactive 14928 1QKT ASP 484 H -9.928 12.841 -11.804 -4.179 7 311 19 908 1834 Inactive Inactive 14929 1QKT THR 485 H -10.038 13.736 -11.508 -4.359 7 340 32 985 1734 Inactive Inactive 14930 1QKT LEU 486 H -10.102 14.013 -11.312 -4.406 7 359 49 1063 1621 Inactive Permissive 14931 1QKT ILE 487 H -10.8 12.663 -11.738 -3.559 7 365 56 1129 1477 Inactive Permissive 14932 1QKT HIS 488 H -11.539 12.229 -13.385 -3.577 7 372 67 1159 1338 Inactive Permissive 14933 1QKT LEU 489 H -10.344 9.263 -11.143 -2.511 5 397 82 1187 1184 Inactive Permissive 14934 1QKT MET 490 H -8.823 6.139 -11.826 -3.156 5 440 115 1218 1122 Inactive Permissive 14935 1QKT ALA 491 H -6.451 4.274 -9.559 -3.032 1 623 195 1259 1159 Inactive Permissive 14936 1QKT LYS 492 H -6.29 4.038 -9.483 -2.816 1 762 236 1289 1207 Permissive Permissive 14937 1QKT ALA 493 H -6.117 4.03 -9.738 -2.914 1 888 276 1294 1278 Permissive Permissive 14938 1QKT GLY 494 C -6.112 4.023 -9.759 -2.912 1 975 285 1320 1322 Permissive Permissive 14939 1QKT LEU 495 C -6.115 4.01 -9.75 -2.911 1 1053 281 1317 1376 Permissive Permissive 14940 1QKT THR 496 C -6.597 3.725 -10.05 -2.763 1 1201 285 1278 1459 Permissive Permissive 14941 1QKT LEU 497 H -6.899 4.024 -10.595 -3.19 1 1565 322 1235 1559 Permissive Permissive 14942 1QKT GLN 498 H -8.651 4.339 -12.51 -2.976 5 2161 458 1189 1663 Selective Permissive 14943 1QKT GLN 499 H -9.341 5.703 -13.603 -3.611 5 2814 587 1132 1844 Selective Permissive 14944 1QKT GLN 500 H -10.293 6.754 -15.625 -4.599 6 3211 650 1090 2098 Selective Selective 14945 1QKT HIS 501 H -11.114 8.05 -16.845 -5.54 6 3469 660 1060 2298 Selective Selective 14946 1QKT GLN 502 H -12.89 8.871 -19.408 -5.8 8 3725 686 1043 2523 Selective Gatekeeper 14947 1QKT ARG 503 H -14.531 11.789 -18.937 -4.776 8 3872 697 1015 2725 Selective Gatekeeper 14948 1QKT LEU 504 H -12.784 12.851 -12.435 -2.671 7 3875 654 972 2875 Selective Gatekeeper 14949 1QKT ALA 505 H -11.961 11.116 -13.274 -3.028 7 3959 633 933 3063 Selective Gatekeeper 14950 1QKT GLN 506 H -11.793 11.618 -13.359 -3.209 7 4070 618 926 3312 Selective Gatekeeper 14951 1QKT LEU 507 H -10.697 14.804 -10.861 -3.894 7 4404 681 918 3464 Selective Gatekeeper 14952 1QKT LEU 508 H -10.166 12.663 -10.729 -3.192 7 4595 724 930 3504 Selective Gatekeeper 14953 1QKT LEU 509 H -10.119 12.391 -10.772 -3.086 7 4687 778 953 3478 Selective Gatekeeper 14954 1QKT ILE 510 H -10.122 12.486 -10.708 -3.081 7 4435 752 973 3395 Selective Gatekeeper 14955 1QKT LEU 511 H -10.13 12.477 -10.664 -3.07 7 3988 607 981 3296 Selective Gatekeeper 14956 1QKT SER 512 H -10.361 11.077 -10.809 -2.619 4 3460 462 1002 3158 Selective Gatekeeper 14957 1QKT HIS 513 H -11.386 10.57 -11.608 -2.212 5 3195 394 1021 2953 Selective Gatekeeper 14958 1QKT ILE 514 H -12.181 13.394 -12.224 -3.08 7 3174 394 1054 2805 Selective Selective 14959 1QKT ARG 515 H -13.532 11.058 -17.826 -4.639 8 3088 360 1104 2636 Selective Selective 14960 1QKT HIS 516 H -12.502 10.278 -17.051 -4.976 8 3078 320 1130 2415 Permissive Selective 14961 1QKT MET 517 H -11.309 11.517 -16.049 -6.064 8 3014 286 1136 2165 Permissive Selective 14962 1QKT SER 518 H -10.965 10.641 -15.744 -5.473 8 2986 269 1110 1847 Permissive Permissive 14963 1QKT ASN 519 H -10.075 7.756 -13.434 -3.734 5 2946 244 1058 1431 Permissive Permissive 14964 1QKT LYS 520 H -10.05 7.836 -13.503 -3.755 5 2716 172 1006 1112 Permissive Inactive 14965 1QKT GLY 521 H -10.044 7.855 -13.511 -3.753 5 2464 127 955 871 Permissive Inactive 14966 1QKT MET 522 H -10.081 7.526 -13.361 -3.541 5 2320 67 918 692 Permissive Inactive 14967 1QKT GLU 523 H -10.092 7.38 -13.356 -3.473 5 2301 103 888 573 Permissive Inactive 14968 1QKT HIS 524 H -10.453 8.025 -15.451 -4.486 6 2274 178 882 503 Permissive Inactive 14969 1QKT LEU 525 H -8.396 6.028 -13.094 -4.437 5 2245 290 880 426 Permissive Inactive 14970 1QKT TYR 526 H -7.811 5.528 -13.082 -4.43 5 2165 341 899 384 Selective Inactive 14971 1QKT SER 527 H -6.803 5.396 -11.379 -4.211 3 1946 389 942 354 Selective Inactive 14972 1QKT MET 528 H -5.525 5 -8.697 -3.367 2 1798 486 996 353 Selective Inactive 14973 1QKT LYS 529 C -4.321 1.871 -6.301 -1.748 1 1741 703 1079 408 Selective Permissive 14974 1QKT SER 530 T -3.456 1.999 -5.761 -1.966 1 1652 836 1162 464 Selective Permissive 14975 1QKT LYS 531 T -3.321 2.148 -5.989 -2.084 1 1518 939 1259 543 Selective Permissive 14976 1QKT ASN 532 T -3.319 2.153 -5.981 -2.077 1 1394 1051 1366 636 Selective Permissive 14977 1QKT VAL 533 T -3.332 2.092 -5.928 -2.051 1 1301 1115 1456 729 Selective Permissive 14978 1QKT VAL 534 C -3.439 2.226 -5.919 -2.156 1 1288 1172 1538 831 Selective Permissive 14979 1QKT PRO 535 C -4.253 2.773 -6.856 -2.519 1 1191 1188 1622 907 Selective Permissive 14980 1QKT LEU 536 H -6.541 5.048 -6.902 -1.544 1 1102 1139 1681 969 Selective Permissive 14981 1QKT TYR 537 H -9.821 9.652 -11.184 -2.705 5 965 1060 1728 1021 Selective Permissive 14982 1QKT ASP 538 H -9.795 10.946 -11 -3.053 4 851 947 1785 1087 Selective Permissive 14983 1QKT LEU 539 H -9.739 16.309 -10.718 -5.142 7 - - - - - - 14984 1QKT LEU 540 H -9.3 17.76 -10.512 -6.102 7 - - - - - - 14985 1QKT LEU 541 H -7.498 13.861 -9.271 -5.956 4 - - - - - - 14986 1QKT GLU 542 H -6.176 11.114 -8.176 -5.239 4 - - - - - - 14987 1QKT MET 543 H -5.569 10.527 -7.28 -4.673 4 - - - - - - 14988 1QKT LEU 544 H -3.821 6.242 -4.933 -3.156 1 - - - - - - 14989 1QKT ASP 545 C -1.946 1.842 -3.714 -2.23 1 - - - - - - 14990 1QKT ALA 546 C -1.201 0.936 -2.941 -1.607 1 - - - - - - 14991 1QKT HIS 547 C 0.413 0.669 -1.177 -1.694 1 - - - - - - 14992 1QKT ARG 548 C 1.01 2.192 -1.693 -2.718 1 - - - - - - 14993 1QKT LEU 549 C 1.01 2.192 -1.693 -2.718 1 - - - - - - 14994 1QKT HIS 550 C 1.01 2.192 -1.693 -2.718 1 - - - - - - 14995 1QKT ALA 551 C 1.01 2.192 -1.693 -2.718 1 - - - - - - 14996 1QUU GLY 1 C -5.466 2.875 -10.871 -3.99 2 - - - - - - 14997 1QUU SER 2 C -5.466 2.875 -10.871 -3.99 2 - - - - - - 14998 1QUU SER 3 C -5.466 2.875 -10.871 -3.99 2 - - - - - - 14999 1QUU ASN 4 H -5.466 2.875 -10.871 -3.99 2 - - - - - - 15000 1QUU GLU 5 H -7.175 3.529 -15.052 -5.398 6 - - - - - - 15001 1QUU ILE 6 H -7.623 3.78 -15.581 -5.7 6 - - - - - - 15002 1QUU ARG 7 H -8.671 4.637 -17.048 -6.163 6 - - - - - - 15003 1QUU ARG 8 H -9.923 6.281 -19.472 -7.084 6 - - - - - - 15004 1QUU LEU 9 H -10.328 6.671 -20.146 -7.499 6 - - - - - - 15005 1QUU GLU 10 H -10.818 7.259 -20.578 -7.841 6 - - - - - - 15006 1QUU ARG 11 H -12.584 10.249 -19.763 -5.979 8 - - - - - - 15007 1QUU LEU 12 H -12.621 11.728 -17.616 -4.935 8 - - - - - - 15008 1QUU GLU 13 H -11.21 9.718 -15.972 -4.942 6 688 59 1423 1085 Selective Selective 15009 1QUU HIS 14 H -8.527 10.365 -11.608 -4.689 5 530 4 1389 990 Permissive Selective 15010 1QUU LEU 15 H -8.521 10.43 -11.613 -4.693 5 383 1 1357 932 Permissive Selective 15011 1QUU ALA 16 H -8.521 10.432 -11.614 -4.694 5 311 0 1325 898 Permissive Selective 15012 1QUU GLU 17 H -8.52 10.433 -11.617 -4.694 5 301 3 1293 870 Permissive Selective 15013 1QUU LYS 18 H -8.526 10.442 -11.576 -4.692 5 289 3 1291 855 Inactive Selective 15014 1QUU PHE 19 H -11.143 16.153 -12.833 -5.113 7 348 13 1294 855 Permissive Selective 15015 1QUU ARG 20 H -12.3 12.994 -16.769 -5.314 8 310 13 1243 823 Permissive Selective 15016 1QUU GLN 21 H -10.37 8.355 -15.357 -4.889 6 296 13 1175 752 Inactive Selective 15017 1QUU LYS 22 H -10.362 8.385 -15.376 -4.897 6 280 13 1108 684 Inactive Selective 15018 1QUU ALA 23 H -10.356 8.389 -15.406 -4.897 6 258 13 1023 594 Inactive Permissive 15019 1QUU SER 24 H -10.169 8.327 -15.596 -4.902 6 251 13 948 513 Inactive Permissive 15020 1QUU THR 25 H -10.15 8.463 -15.606 -4.918 6 238 13 868 461 Inactive Inactive 15021 1QUU HIS 26 H -10.803 8.99 -16.228 -5.017 6 238 22 803 433 Inactive Inactive 15022 1QUU GLU 27 H -10.637 9.536 -15.87 -4.989 6 230 29 745 394 Inactive Inactive 15023 1QUU THR 28 H -8.929 10.14 -12.417 -4.706 5 219 31 675 333 Inactive Inactive 15024 1QUU TRP 29 H -8.929 10.307 -12.347 -4.72 5 207 33 618 266 Inactive Inactive 15025 1QUU ALA 30 H -8.92 10.31 -12.405 -4.738 5 174 33 580 204 Inactive Inactive 15026 1QUU TYR 31 T -8.901 10.291 -12.533 -4.773 5 171 36 533 141 Gatekeeper Inactive 15027 1QUU GLY 32 T -8.876 10.189 -12.695 -4.81 5 152 28 483 87 Inactive Inactive 15028 1QUU LYS 33 H -10.06 10.297 -15.751 -5.588 6 178 28 479 65 Inactive Inactive 15029 1QUU GLU 34 H -10.131 9.673 -16.093 -5.559 6 202 28 467 66 Inactive Inactive 15030 1QUU GLN 35 H -9.556 9.806 -14.126 -4.856 6 216 30 441 70 Inactive Inactive 15031 1QUU ILE 36 H -9.102 10.631 -12.935 -4.712 5 249 33 424 78 Inactive Inactive 15032 1QUU LEU 37 H -8.893 10.489 -13.003 -4.821 5 257 33 423 83 Inactive Inactive 15033 1QUU LEU 38 H -8.871 10.525 -13.072 -4.846 5 261 33 432 95 Inactive Inactive 15034 1QUU GLN 39 C -8.865 10.53 -13.112 -4.869 5 269 24 453 104 Inactive Inactive 15035 1QUU LYS 40 T -8.995 10.688 -13.135 -4.964 5 274 17 481 117 Inactive Inactive 15036 1QUU ASP 41 T -9.378 10.23 -13.98 -5.227 6 282 15 505 131 Inactive Inactive 15037 1QUU TYR 42 T -10.328 11.542 -15.384 -5.545 8 311 14 510 141 Permissive Inactive 15038 1QUU GLU 43 T -10.191 10.873 -14.759 -4.995 6 320 13 489 139 Permissive Inactive 15039 1QUU SER 44 T -8.482 8.8 -11.511 -3.929 5 322 10 471 131 Permissive Inactive 15040 1QUU ALA 45 T -7.716 8.376 -11.197 -4.027 5 250 8 456 126 Inactive Inactive 15041 1QUU SER 46 C -7.168 9.333 -10.207 -4.03 4 227 8 430 124 Inactive Inactive 15042 1QUU LEU 47 H -7.163 9.346 -10.231 -4.035 4 205 8 415 128 Inactive Inactive 15043 1QUU THR 48 H -7.151 9.322 -10.286 -4.039 4 195 6 435 133 Inactive Inactive 15044 1QUU GLU 49 H -7.214 9.392 -10.166 -4.056 4 160 3 464 151 Inactive Inactive 15045 1QUU VAL 50 H -7.435 9.921 -9.747 -4.05 4 164 3 488 180 Inactive Inactive 15046 1QUU ARG 51 H -9.181 9.157 -13.122 -4.348 5 180 3 522 223 Inactive Inactive 15047 1QUU ALA 52 H -9.279 8.695 -13.222 -4.232 5 174 3 561 289 Inactive Inactive 15048 1QUU LEU 53 H -10.322 10.176 -13.594 -4.039 5 176 3 619 390 Inactive Inactive 15049 1QUU LEU 54 H -10.328 10.051 -13.698 -4.073 5 175 3 698 540 Inactive Inactive 15050 1QUU ARG 55 H -9.757 8.31 -14.483 -4.372 6 150 2 785 752 Inactive Gatekeeper 15051 1QUU LYS 56 H -9.752 8.339 -14.501 -4.383 6 149 1 874 955 Inactive Gatekeeper 15052 1QUU HIS 57 H -9.978 7.643 -15.054 -4.591 6 155 1 966 1168 Inactive Selective 15053 1QUU GLU 58 H -9.986 7.565 -15.068 -4.594 6 180 3 1055 1386 Inactive Selective 15054 1QUU ALA 59 H -10.021 7.392 -15.038 -4.577 6 208 3 1140 1602 Inactive Selective 15055 1QUU PHE 60 H -12.098 11.431 -17.296 -5.292 8 234 4 1224 1806 Inactive Selective 15056 1QUU GLU 61 H -11.323 8.632 -16.366 -4.603 6 262 5 1258 1949 Inactive Selective 15057 1QUU SER 62 H -9.996 7.227 -14.555 -4.032 6 273 6 1290 2059 Inactive Selective 15058 1QUU ASP 63 H -9.776 8.002 -14.424 -4.186 6 275 6 1321 2141 Inactive Selective 15059 1QUU LEU 64 H -9.765 8.048 -14.452 -4.198 6 293 7 1335 2167 Inactive Selective 15060 1QUU ALA 65 H -9.683 7.918 -14.758 -4.309 6 335 9 1336 2146 Permissive Selective 15061 1QUU ALA 66 H -9.713 7.896 -14.703 -4.302 6 370 12 1308 2060 Permissive Selective 15062 1QUU HIS 67 H -10.192 8.935 -15.158 -4.722 6 413 15 1263 1921 Permissive Selective 15063 1QUU GLN 68 H -10.753 7.547 -16.924 -5.037 6 448 22 1212 1719 Permissive Selective 15064 1QUU ASP 69 H -10.637 7.579 -16.899 -5.054 6 452 21 1156 1534 Permissive Selective 15065 1QUU ARG 70 H -11.236 8.671 -17.035 -5.046 6 454 23 1106 1346 Permissive Selective 15066 1QUU VAL 71 H -11.232 8.883 -16.897 -5.023 6 443 22 1041 1147 Permissive Selective 15067 1QUU GLU 72 H -10.896 8.885 -16.647 -4.993 6 434 24 1001 951 Permissive Selective 15068 1QUU GLN 73 H -10.763 9.616 -16.093 -4.911 6 422 25 949 765 Permissive Selective 15069 1QUU ILE 74 H -10.588 11.521 -14.066 -4.358 7 414 32 903 626 Permissive Inactive 15070 1QUU ALA 75 H -10.11 10.182 -13.951 -4.187 5 428 36 853 500 Selective Inactive 15071 1QUU ALA 76 H -9.987 10.136 -14.072 -4.254 5 428 36 814 407 Selective Inactive 15072 1QUU ILE 77 H -10.036 10.332 -13.848 -4.19 5 396 35 783 367 Selective Inactive 15073 1QUU ALA 78 H -10.08 10.241 -13.782 -4.155 5 351 33 762 387 Permissive Inactive 15074 1QUU GLN 79 H -10.124 9.551 -14.472 -4.392 6 313 30 760 466 Permissive Inactive 15075 1QUU GLU 80 H -10.567 10.19 -15.369 -4.881 6 262 27 763 538 Inactive Inactive 15076 1QUU LEU 81 H -9.612 9.272 -14.095 -4.891 6 215 21 767 583 Inactive Inactive 15077 1QUU ASN 82 H -9.506 9.541 -14.187 -4.97 6 210 23 757 601 Inactive Inactive 15078 1QUU GLU 83 H -9.091 10.069 -13.669 -5.013 6 193 22 736 618 Inactive Inactive 15079 1QUU LEU 84 H -8.952 10.171 -13.637 -5.039 6 188 43 727 637 Gatekeeper Gatekeeper 15080 1QUU ASP 85 C -8.711 9.897 -13.554 -4.991 6 209 105 723 652 Gatekeeper Gatekeeper 15081 1QUU TYR 86 C -8.616 9.706 -13.416 -4.912 5 272 184 730 645 Gatekeeper Gatekeeper 15082 1QUU HIS 87 C -6.176 4.665 -11.104 -4.296 3 264 215 773 676 Gatekeeper Gatekeeper 15083 1QUU ASP 88 H -6.045 5.076 -11.017 -4.253 3 258 350 817 716 Gatekeeper Gatekeeper 15084 1QUU ALA 89 H -6.041 5.084 -11.031 -4.252 3 293 493 844 747 Gatekeeper Gatekeeper 15085 1QUU VAL 90 H -5.984 5.166 -11.117 -4.268 3 363 719 872 799 Selective Gatekeeper 15086 1QUU ASN 91 H -5.987 5.153 -11.109 -4.267 3 599 1018 908 887 Selective Gatekeeper 15087 1QUU VAL 92 H -6.731 6.575 -11.211 -4.217 3 706 1235 943 907 Selective Selective 15088 1QUU ASN 93 H -7.334 6.188 -12.116 -4.436 5 1074 1616 970 910 Selective Selective 15089 1QUU ASP 94 H -7.382 6.11 -12.033 -4.451 5 1301 1821 1006 936 Selective Selective 15090 1QUU ARG 95 H -11.363 8.957 -17.507 -5.366 6 1397 1966 1062 986 Selective Selective 15091 1QUU CYS 96 H -11.265 9.108 -17.052 -5.229 6 1479 2086 1100 1006 Selective Selective 15092 1QUU GLN 97 H -10.579 8.563 -16.203 -5.026 6 1492 2081 1161 1034 Selective Selective 15093 1QUU LYS 98 H -10.586 8.598 -16.149 -5.014 6 1471 2020 1205 1045 Selective Selective 15094 1QUU ILE 99 H -10.604 8.632 -16.042 -4.995 6 1395 1949 1250 1070 Selective Selective 15095 1QUU CYS 100 H -10.605 8.628 -16.036 -4.994 6 1409 1932 1288 1063 Selective Selective 15096 1QUU ASP 101 H -10.78 8.385 -15.932 -4.956 6 1391 1794 1308 1088 Selective Selective 15097 1QUU GLN 102 H -13.1 10.021 -19.316 -5.633 8 1374 1653 1336 1177 Selective Selective 15098 1QUU TRP 103 H -12.916 12.192 -17.161 -5.104 8 1320 1430 1347 1183 Selective Selective 15099 1QUU ASP 104 H -9.522 8.637 -13.596 -4.554 5 1079 1133 1339 1089 Selective Selective 15100 1QUU ARG 105 H -9.337 9.445 -13.369 -4.553 5 974 918 1328 1070 Selective Selective 15101 1QUU LEU 106 H -9.104 10.826 -12.822 -4.669 5 613 538 1343 1126 Selective Selective 15102 1QUU GLY 107 H -8.906 10.38 -13.219 -4.813 5 413 333 1373 1254 Selective Selective 15103 1QUU THR 108 H -8.866 10.367 -13.313 -4.832 5 342 186 1417 1439 Selective Selective 15104 1QUU LEU 109 H -9.103 11.223 -13.179 -4.97 7 316 65 1480 1725 Selective Selective 15105 1QUU THR 110 H -9.221 11.128 -13.273 -5.062 6 376 48 1509 1983 Selective Selective 15106 1QUU GLN 111 H -9.52 9.446 -14.313 -5.162 6 428 45 1555 2285 Selective Selective 15107 1QUU LYS 112 H -10.479 10.211 -14.693 -5.104 6 477 35 1592 2614 Selective Selective 15108 1QUU ARG 113 H -15.212 12.982 -21.028 -6.008 8 466 13 1609 2975 Permissive Selective 15109 1QUU ARG 114 H -14.144 12.317 -19.05 -5.575 8 466 11 1637 3238 Permissive Selective 15110 1QUU GLU 115 H -11.202 11.576 -14.586 -4.829 7 454 9 1658 3341 Permissive Selective 15111 1QUU ALA 116 H -11.047 12.357 -14.419 -4.862 7 444 6 1693 3475 Permissive Selective 15112 1QUU LEU 117 H -11.026 12.494 -14.455 -4.888 7 460 4 1751 3608 Permissive Selective 15113 1QUU GLU 118 H -10.603 12.021 -14.732 -5.136 6 463 2 1781 3695 Permissive Selective 15114 1QUU ARG 119 H -10.504 12.121 -14.729 -5.121 6 461 1 1800 3783 Permissive Selective 15115 1QUU MET 120 H -10.702 12.437 -14.826 -5.253 6 436 0 1792 3829 Permissive Selective 15116 1QUU GLU 121 H -10.771 12.068 -15.015 -5.296 6 402 0 1768 3838 Permissive Selective 15117 1QUU LYS 122 H -10.429 12.018 -14.52 -5.094 6 354 0 1725 3817 Permissive Selective 15118 1QUU LEU 123 H -10.627 12.581 -14.168 -4.905 7 286 2 1686 3847 Inactive Selective 15119 1QUU LEU 124 H -10.732 12.594 -14.092 -4.881 7 214 2 1627 3762 Inactive Selective 15120 1QUU GLU 125 H -10.656 12.21 -14.385 -4.909 7 163 2 1571 3613 Inactive Selective 15121 1QUU THR 126 H -10.481 12.297 -14.277 -4.882 7 148 2 1532 3420 Inactive Selective 15122 1QUU ILE 127 H -10.879 12.526 -14.633 -4.906 7 162 2 1504 3277 Inactive Selective 15123 1QUU ASP 128 H -11.007 12.029 -14.889 -4.936 6 217 80 1487 3234 Gatekeeper Selective 15124 1QUU GLN 129 H -10.839 11.873 -14.922 -4.94 6 229 148 1476 3221 Gatekeeper Selective 15125 1QUU LEU 130 H -10.971 12.259 -14.573 -4.889 7 224 212 1431 3281 Gatekeeper Selective 15126 1QUU HIS 131 H -11.525 11.864 -15.299 -4.987 8 229 277 1428 3317 Gatekeeper Selective 15127 1QUU LEU 132 H -10.558 13.084 -13.32 -4.821 7 235 370 1426 3236 Gatekeeper Selective 15128 1QUU GLU 133 H -10.55 13.11 -13.343 -4.826 7 258 452 1432 3117 Gatekeeper Selective 15129 1QUU PHE 134 H -10.663 13.421 -12.97 -4.794 7 283 560 1420 2970 Gatekeeper Selective 15130 1QUU ALA 135 H -10.273 11.624 -13.575 -4.56 7 298 623 1438 2764 Selective Selective 15131 1QUU LYS 136 H -9.875 9.737 -14.052 -4.375 5 297 672 1455 2531 Gatekeeper Selective 15132 1QUU ARG 137 H -10.042 8.555 -14.466 -4.241 6 310 719 1484 2428 Selective Selective 15133 1QUU ALA 138 H -10.023 8.687 -14.451 -4.245 6 327 796 1499 2311 Selective Selective 15134 1QUU ALA 139 H -9.819 9.341 -14.274 -4.374 6 339 835 1504 2186 Selective Selective 15135 1QUU PRO 140 H -9.95 9.44 -14.273 -4.417 6 325 849 1491 2047 Selective Selective 15136 1QUU PHE 141 H -10.428 11.548 -13.933 -4.713 7 274 788 1464 1896 Gatekeeper Selective 15137 1QUU ASN 142 H -10.441 11.497 -13.926 -4.722 7 286 728 1412 1716 Gatekeeper Selective 15138 1QUU ASN 143 H -10.063 11.47 -14.212 -5.154 6 305 668 1353 1479 Selective Selective 15139 1QUU TRP 144 H -10.196 12.283 -14.326 -5.461 6 398 621 1274 1263 Selective Selective 15140 1QUU MET 145 H -10.06 11.914 -14.559 -5.489 6 481 529 1184 1114 Selective Selective 15141 1QUU GLU 146 H -9.458 9.669 -14.703 -5.289 6 647 450 1096 980 Selective Selective 15142 1QUU GLY 147 H -8.804 8.258 -14.205 -5.02 6 782 350 1022 858 Selective Selective 15143 1QUU ALA 148 H -8.824 8.165 -14.178 -4.982 6 867 287 936 746 Selective Selective 15144 1QUU MET 149 H -8.789 8.316 -14.168 -4.998 6 986 237 862 628 Selective Inactive 15145 1QUU GLU 150 H -8.345 8.138 -13.663 -4.903 5 1054 192 774 468 Selective Inactive 15146 1QUU ASP 151 G -8.07 8.023 -13.327 -4.839 5 1113 115 712 365 Selective Inactive 15147 1QUU LEU 152 G -8.047 9.144 -12.791 -4.897 5 1123 76 652 284 Selective Inactive 15148 1QUU GLN 153 G -6.271 8.013 -9.956 -4.587 3 1173 62 612 232 Selective Inactive 15149 1QUU ASP 154 C -5.213 9.087 -7.809 -4.277 2 1186 45 571 182 Selective Inactive 15150 1QUU MET 155 C -4.123 9.061 -6.155 -4.057 2 1198 37 540 148 Selective Inactive 15151 1QUU PHE 156 C -4.122 9.065 -6.161 -4.058 2 1219 39 528 125 Selective Inactive 15152 1QUU ILE 157 C -4.118 9.05 -6.186 -4.057 2 1120 21 514 112 Permissive Inactive 15153 1QUU VAL 158 C -4.132 9.073 -6.107 -4.045 2 1027 20 492 101 Permissive Inactive 15154 1QUU HIS 159 C -4.212 9 -5.966 -4.023 2 835 17 469 90 Permissive Inactive 15155 1QUU SER 160 T -6.476 6.642 -11.538 -4.392 3 676 9 442 77 Permissive Inactive 15156 1QUU ILE 161 T -6.516 6.382 -11.688 -4.407 3 572 9 410 68 Permissive Inactive 15157 1QUU GLU 162 T -6.725 6.366 -12.088 -4.623 3 450 8 386 61 Permissive Inactive 15158 1QUU GLU 163 H -6.871 6.087 -12.202 -4.67 3 371 6 363 54 Permissive Inactive 15159 1QUU ILE 164 H -7.841 10.081 -12.037 -4.956 5 297 6 331 45 Inactive Inactive 15160 1QUU GLN 165 H -7.966 10.107 -11.957 -4.918 5 271 6 304 36 Inactive Inactive 15161 1QUU SER 166 H -8.251 9.311 -12.164 -4.351 5 229 6 281 27 Inactive Inactive 15162 1QUU LEU 167 H -8.56 8.963 -11.907 -3.895 5 247 12 270 20 Inactive Inactive 15163 1QUU ILE 168 H -8.49 8.947 -12.099 -3.971 5 208 13 277 13 Inactive Inactive 15164 1QUU THR 169 H -8.383 8.595 -12.495 -4.098 5 166 8 304 17 Inactive Inactive 15165 1QUU ALA 170 H -8.473 8.52 -12.471 -4.103 5 170 16 323 18 Inactive Inactive 15166 1QUU HIS 171 H -9.075 8.296 -14.101 -4.664 5 240 174 353 19 Gatekeeper Inactive 15167 1QUU GLU 172 H -8.823 9.297 -13.464 -4.744 5 302 331 395 27 Selective Inactive 15168 1QUU GLN 173 H -8.401 11.504 -11.655 -4.771 5 345 474 476 50 Selective Inactive 15169 1QUU PHE 174 H -8.411 12.875 -10.896 -4.739 7 408 741 559 87 Selective Inactive 15170 1QUU LYS 175 H -7.648 10.603 -10.43 -4.286 4 448 993 613 118 Selective Inactive 15171 1QUU ALA 176 H -6.74 8.267 -9.714 -3.77 4 506 1199 679 156 Selective Inactive 15172 1QUU THR 177 H -6.641 8.455 -9.681 -3.752 4 568 1346 744 207 Selective Inactive 15173 1QUU LEU 178 H -6.647 8.341 -9.695 -3.727 4 614 1485 809 262 Selective Inactive 15174 1QUU PRO 179 H -6.512 7.757 -10.216 -3.861 2 709 1646 874 336 Selective Inactive 15175 1QUU GLU 180 H -6.574 7.515 -10.256 -3.843 2 713 1643 933 426 Selective Permissive 15176 1QUU ALA 181 H -7.106 7.355 -11.332 -4.157 3 757 1648 997 540 Selective Permissive 15177 1QUU ASP 182 H -7.369 6.097 -12.258 -4.397 5 845 1658 1042 650 Selective Selective 15178 1QUU GLY 183 H -7.414 5.816 -12.308 -4.423 5 856 1653 1098 771 Selective Selective 15179 1QUU GLU 184 H -9.332 7.087 -15.059 -5.241 6 820 1495 1142 907 Selective Selective 15180 1QUU ARG 185 H -12.712 8.848 -20.297 -5.952 8 795 1338 1170 993 Selective Selective 15181 1QUU GLN 186 H -11.455 9.569 -16.529 -5.042 6 756 1195 1157 1021 Selective Selective 15182 1QUU SER 187 H -11.188 10.548 -15.803 -4.925 6 697 928 1153 1019 Selective Selective 15183 1QUU ILE 188 H -11.187 10.661 -15.734 -4.917 6 647 676 1165 1009 Selective Selective 15184 1QUU MET 189 H -11.136 10.56 -15.95 -4.965 6 586 470 1167 992 Selective Selective 15185 1QUU ALA 190 H -10.892 9.902 -16.283 -5.032 6 525 323 1157 961 Selective Selective 15186 1QUU ILE 191 H -11.104 10.13 -16.422 -5.093 6 480 184 1159 924 Selective Selective 15187 1QUU GLN 192 H -10.988 9.577 -16.894 -5.38 6 379 23 1122 864 Permissive Selective 15188 1QUU ASN 193 H -9.719 8.868 -14.758 -5.083 6 328 20 1100 783 Permissive Selective 15189 1QUU GLU 194 H -9.162 10.377 -13.301 -4.913 6 277 14 1057 675 Inactive Selective 15190 1QUU VAL 195 H -9.131 10.595 -13.215 -4.896 5 183 3 1011 562 Inactive Permissive 15191 1QUU GLU 196 H -9.05 10.681 -13.251 -4.892 5 164 0 982 445 Inactive Permissive 15192 1QUU LYS 197 H -8.97 10.576 -13.208 -4.787 5 147 1 957 310 Inactive Permissive 15193 1QUU VAL 198 H -9.138 11.186 -12.794 -4.703 7 155 14 953 223 Inactive Permissive 15194 1QUU ILE 199 H -9.661 10.973 -13.372 -4.556 7 182 80 931 178 Gatekeeper Inactive 15195 1QUU GLN 200 H -9.708 10.328 -13.741 -4.576 5 187 125 899 144 Gatekeeper Inactive 15196 1QUU SER 201 H -8.438 7.737 -12.374 -4.16 5 184 153 875 128 Gatekeeper Inactive 15197 1QUU TYR 202 H -7.417 8.831 -10.357 -3.962 4 181 185 852 110 Gatekeeper Inactive 15198 1QUU ASN 203 T -5.887 5.478 -9.304 -3.401 2 172 192 840 96 Gatekeeper Inactive 15199 1QUU ILE 204 T -5.831 5.546 -9.409 -3.404 2 167 203 813 81 Gatekeeper Inactive 15200 1QUU ARG 205 T -5.819 5.549 -9.459 -3.405 2 158 206 796 68 Gatekeeper Inactive 15201 1QUU ILE 206 T -5.826 5.527 -9.43 -3.397 2 151 209 761 59 Gatekeeper Inactive 15202 1QUU SER 207 C -5.859 5.316 -9.409 -3.368 2 151 214 738 52 Gatekeeper Inactive 15203 1QUU SER 208 C -7.126 6.162 -10.86 -3.468 2 145 214 713 54 Gatekeeper Inactive 15204 1QUU SER 209 C -7.968 6.41 -12.371 -3.784 5 140 214 669 55 Gatekeeper Inactive 15205 1QUU ASN 210 T -7.607 9.404 -11.318 -4.714 5 120 213 636 59 Gatekeeper Inactive 15206 1QUU PRO 211 T -7.21 9.705 -10.614 -4.446 4 74 200 619 84 Gatekeeper Inactive 15207 1QUU TYR 212 T -7.182 9.816 -10.604 -4.45 4 40 134 647 123 Gatekeeper Inactive 15208 1QUU SER 213 T -7.129 9.828 -10.71 -4.48 4 25 89 674 153 Gatekeeper Inactive 15209 1QUU THR 214 T -7.003 9.636 -10.852 -4.536 5 21 61 698 167 Gatekeeper Inactive 15210 1QUU VAL 215 T -7.211 9.678 -10.881 -4.474 4 20 29 717 185 Inactive Inactive 15211 1QUU THR 216 T -7.558 9.602 -11.837 -4.819 5 19 22 737 194 Inactive Inactive 15212 1QUU MET 217 H -7.633 9.489 -11.873 -4.864 5 16 11 764 210 Inactive Inactive 15213 1QUU ASP 218 H -7.765 9.395 -11.878 -4.883 5 16 8 812 227 Inactive Inactive 15214 1QUU GLU 219 H -8.688 11.1 -12.808 -5.249 6 15 5 865 262 Inactive Inactive 15215 1QUU LEU 220 H -8.909 11.887 -12.378 -5.306 7 17 2 895 294 Inactive Inactive 15216 1QUU ARG 221 H -10.146 11.368 -14.302 -5.275 6 30 4 927 300 Inactive Inactive 15217 1QUU THR 222 H -10.213 11.158 -14.277 -5.232 6 34 5 970 333 Inactive Permissive 15218 1QUU LYS 223 H -11.769 13.203 -16.662 -5.972 8 39 7 1006 359 Inactive Permissive 15219 1QUU TRP 224 H -10.573 13.679 -13.274 -5.109 7 56 15 989 344 Inactive Permissive 15220 1QUU ASP 225 H -8.83 10.059 -12.243 -4.658 5 78 22 958 314 Inactive Permissive 15221 1QUU LYS 226 H -8.671 10.753 -12.036 -4.65 5 93 25 932 307 Inactive Inactive 15222 1QUU VAL 227 H -8.627 11.035 -11.937 -4.618 5 113 31 917 318 Inactive Inactive 15223 1QUU LYS 228 H -8.45 11.155 -11.789 -4.53 5 144 37 908 345 Gatekeeper Inactive 15224 1QUU GLN 229 H -8.284 10.758 -11.69 -4.348 5 195 51 904 396 Gatekeeper Inactive 15225 1QUU LEU 230 H -8.562 11.304 -11.396 -4.177 4 287 73 889 471 Gatekeeper Inactive 15226 1QUU VAL 231 H -8.692 10.887 -11.405 -4.066 4 336 98 890 560 Selective Inactive 15227 1QUU PRO 232 H -8.742 10.547 -11.461 -4.049 4 358 108 893 661 Selective Gatekeeper 15228 1QUU ILE 233 H -9.068 9.846 -11.532 -3.881 5 397 106 919 757 Selective Gatekeeper 15229 1QUU ARG 234 H -11.915 11.218 -16.058 -4.491 8 474 104 948 891 Selective Selective 15230 1QUU ASP 235 H -12.051 10.03 -17.453 -4.898 6 513 103 949 930 Selective Selective 15231 1QUU GLN 236 H -10.492 10.105 -14.588 -4.817 6 - - - - - - 15232 1QUU SER 237 H -10.475 10.235 -14.601 -4.845 6 - - - - - - 15233 1QUU LEU 238 H -10.445 10.396 -14.686 -4.895 6 - - - - - - 15234 1QUU GLN 239 H -9.635 9.025 -14.669 -5.03 6 - - - - - - 15235 1QUU GLU 240 H -9.386 9.311 -14.97 -5.276 6 - - - - - - 15236 1QUU GLU 241 H -8.801 10.486 -14.934 -6.518 6 - - - - - - 15237 1QUU LEU 242 H -7.58 8.408 -13.339 -5.92 6 - - - - - - 15238 1QUU ALA 243 H -6.712 7.12 -12.233 -5.31 3 - - - - - - 15239 1QUU ARG 244 H -6.076 6.653 -11.15 -4.798 3 - - - - - - 15240 1QUU GLN 245 H -5.379 6.325 -9.868 -4.348 2 - - - - - - 15241 1QUU HIS 246 H -5.379 6.325 -9.868 -4.348 2 - - - - - - 15242 1QUU ALA 247 C -5.379 6.325 -9.868 -4.348 2 - - - - - - 15243 1QUU ASN 248 C -5.379 6.325 -9.868 -4.348 2 - - - - - - 15244 1RBP GLU 1 C -3.795 2.53 -8.55 -3.793 2 - - - - - - 15245 1RBP ARG 2 C -3.795 2.53 -8.55 -3.793 2 - - - - - - 15246 1RBP ASP 3 C -3.795 2.53 -8.55 -3.793 2 - - - - - - 15247 1RBP CYS 4 C -3.795 2.53 -8.55 -3.793 2 - - - - - - 15248 1RBP ARG 5 C -5.695 4.904 -10.953 -4.766 3 - - - - - - 15249 1RBP VAL 6 G -7.871 8.238 -13.024 -5.508 6 - - - - - - 15250 1RBP SER 7 G -9.804 9.283 -16.097 -5.864 6 - - - - - - 15251 1RBP SER 8 G -10.297 9.798 -16.078 -5.651 6 - - - - - - 15252 1RBP PHE 9 C -10.859 11.341 -13.956 -4.098 7 - - - - - - 15253 1RBP ARG 10 C -8.679 8.828 -12.269 -4.392 5 - - - - - - 15254 1RBP VAL 11 C -8.655 9.051 -12.281 -4.429 5 - - - - - - 15255 1RBP LYS 12 T -8.655 9.067 -12.31 -4.459 5 - - - - - - 15256 1RBP GLU 13 T -8.651 9.086 -12.332 -4.467 5 251 154 1106 1894 Inactive Inactive 15257 1RBP ASN 14 T -8.619 9.31 -12.367 -4.509 5 196 165 1199 2710 Inactive Inactive 15258 1RBP PHE 15 T -9.864 13.35 -13.444 -5.309 7 134 171 1286 3757 Inactive Gatekeeper 15259 1RBP ASP 16 T -10.103 12.954 -13.813 -5.363 7 121 133 1369 4916 Inactive Gatekeeper 15260 1RBP LYS 17 T -10.236 13.199 -13.457 -5.282 7 115 107 1436 6189 Inactive Gatekeeper 15261 1RBP ALA 18 T -10.272 13.233 -13.285 -5.211 7 116 108 1524 7452 Inactive Gatekeeper 15262 1RBP ARG 19 T -11.576 12.852 -15.355 -5.035 8 121 109 1651 8564 Inactive Selective 15263 1RBP PHE 20 T -12.109 12.604 -15.95 -4.95 8 117 158 1736 9421 Inactive Selective 15264 1RBP SER 21 T -12.247 12.118 -16.057 -4.898 8 169 167 1796 10055 Inactive Selective 15265 1RBP GLY 22 E -12.173 12.739 -15.856 -4.931 8 279 303 1845 10503 Inactive Selective 15266 1RBP THR 23 E -13.069 16.344 -15.881 -5.32 8 444 437 1894 10800 Inactive Selective 15267 1RBP TRP 24 E -13.143 17.103 -15.424 -5.308 8 647 753 1925 10860 Gatekeeper Selective 15268 1RBP TYR 25 E -13.172 17.188 -15.308 -5.278 8 770 938 1930 10703 Selective Selective 15269 1RBP ALA 26 E -13.225 17.25 -15.183 -5.254 8 822 1017 1905 10289 Selective Selective 15270 1RBP MET 27 E -14.15 17.334 -17.594 -5.68 8 882 1036 1863 9659 Selective Selective 15271 1RBP ALA 28 E -13.024 14.083 -16.761 -5.435 8 988 1103 1811 8815 Selective Selective 15272 1RBP LYS 29 E -12.554 12.575 -17.372 -5.574 8 1035 1141 1740 7832 Selective Selective 15273 1RBP LYS 30 E -9.244 7.767 -14.528 -5.209 6 1072 1178 1674 6719 Selective Selective 15274 1RBP ASP 31 C -7.885 7.585 -12.412 -4.681 5 1113 1220 1601 5654 Selective Selective 15275 1RBP PRO 32 C -7.637 9.074 -11.713 -4.675 5 1138 1239 1500 4850 Selective Gatekeeper 15276 1RBP GLU 33 C -7.44 10.405 -11.053 -4.697 4 1145 1197 1429 4358 Selective Gatekeeper 15277 1RBP GLY 34 C -7.439 10.414 -11.056 -4.698 4 1091 1178 1374 4061 Selective Gatekeeper 15278 1RBP LEU 35 C -7.467 10.546 -10.884 -4.673 4 1002 1045 1342 3909 Selective Gatekeeper 15279 1RBP PHE 36 C -7.815 12.928 -9.853 -4.714 4 843 915 1332 3878 Selective Gatekeeper 15280 1RBP LEU 37 C -8.183 13.782 -9.407 -4.758 4 637 597 1337 4008 Gatekeeper Gatekeeper 15281 1RBP GLN 38 C -11.203 15.421 -13.227 -5.367 7 530 408 1351 4247 Inactive Gatekeeper 15282 1RBP ASP 39 E -13.154 14.183 -16.556 -5.109 8 501 301 1382 4484 Inactive Gatekeeper 15283 1RBP ASN 40 E -12.549 13.491 -15.973 -4.921 8 466 274 1419 4626 Inactive Gatekeeper 15284 1RBP ILE 41 E -12.339 14.815 -15.089 -4.772 8 396 192 1463 4672 Inactive Gatekeeper 15285 1RBP VAL 42 E -12.262 14.809 -15.094 -4.727 8 372 154 1483 4669 Inactive Gatekeeper 15286 1RBP ALA 43 E -12.159 14.849 -15.029 -4.684 8 347 118 1488 4611 Inactive Gatekeeper 15287 1RBP GLU 44 E -12.096 14.573 -15.143 -4.716 8 316 78 1504 4465 Inactive Gatekeeper 15288 1RBP PHE 45 E -10.039 11.947 -12.782 -4.703 7 317 75 1535 4187 Inactive Gatekeeper 15289 1RBP SER 46 E -5.67 5.292 -9.865 -4.176 2 320 79 1531 3808 Inactive Gatekeeper 15290 1RBP VAL 47 E -3.24 3.618 -7.784 -4.244 2 348 118 1548 3432 Inactive Selective 15291 1RBP ASP 48 T -3.216 3.576 -7.927 -4.264 2 370 148 1564 3129 Inactive Permissive 15292 1RBP GLU 49 T -3.216 3.577 -7.928 -4.264 2 366 169 1537 2870 Inactive Permissive 15293 1RBP THR 50 T -3.216 3.577 -7.928 -4.264 2 362 196 1531 2559 Inactive Inactive 15294 1RBP GLY 51 T -3.226 3.549 -7.895 -4.265 2 346 230 1517 2235 Inactive Inactive 15295 1RBP GLN 52 C -5.13 2.564 -11.326 -4.718 3 337 266 1511 1990 Inactive Inactive 15296 1RBP MET 53 E -8.306 7.336 -13.89 -5.459 6 314 273 1508 1803 Inactive Inactive 15297 1RBP SER 54 E -10.844 9.678 -16.565 -5.423 6 291 291 1494 1677 Inactive Inactive 15298 1RBP ALA 55 E -10.666 10.696 -14.568 -4.578 6 272 322 1505 1611 Inactive Inactive 15299 1RBP THR 56 E -10.683 10.648 -14.413 -4.493 7 263 330 1519 1604 Inactive Inactive 15300 1RBP ALA 57 E -10.686 10.64 -14.391 -4.485 7 248 331 1518 1625 Inactive Inactive 15301 1RBP LYS 58 E -10.73 10.483 -14.345 -4.476 6 217 326 1490 1628 Inactive Inactive 15302 1RBP GLY 59 E -10.803 10.405 -14.216 -4.479 7 203 321 1493 1650 Inactive Inactive 15303 1RBP ARG 60 E -13.762 12.642 -19.334 -5.644 8 169 294 1479 1655 Inactive Inactive 15304 1RBP VAL 61 E -10.329 10.77 -13.327 -4.407 7 116 254 1442 1558 Inactive Inactive 15305 1RBP ARG 62 E -7.412 7.619 -11.35 -4.491 5 112 229 1420 1411 Inactive Inactive 15306 1RBP LEU 63 E -5.705 7.351 -9.375 -4.473 2 112 207 1418 1329 Inactive Inactive 15307 1RBP LEU 64 T -5.627 7.196 -9.699 -4.534 2 112 178 1429 1279 Inactive Inactive 15308 1RBP ASN 65 T -5.625 7.198 -9.708 -4.535 2 89 145 1427 1220 Inactive Inactive 15309 1RBP ASN 66 T -5.625 7.197 -9.708 -4.535 2 82 133 1435 1214 Inactive Inactive 15310 1RBP TRP 67 E -5.655 7.177 -9.625 -4.537 2 56 110 1475 1260 Inactive Inactive 15311 1RBP ASP 68 E -6.85 6.156 -12.028 -4.958 3 47 78 1522 1354 Inactive Inactive 15312 1RBP VAL 69 E -9.096 8.778 -14.162 -4.94 6 42 69 1562 1457 Inactive Permissive 15313 1RBP CYS 70 E -9.827 10.259 -14.463 -4.769 6 50 66 1614 1548 Inactive Permissive 15314 1RBP ALA 71 E -9.884 10.62 -14.139 -4.666 6 49 67 1682 1681 Inactive Permissive 15315 1RBP ASP 72 E -9.955 10.917 -14.073 -4.713 7 54 109 1738 1804 Inactive Permissive 15316 1RBP MET 73 E -10.426 12.597 -14.025 -4.804 7 54 172 1770 1856 Inactive Permissive 15317 1RBP VAL 74 E -10.176 13.306 -13.093 -4.781 7 70 277 1810 1986 Inactive Permissive 15318 1RBP GLY 75 E -9.484 12.226 -12.895 -5.034 7 80 327 1868 2165 Inactive Permissive 15319 1RBP THR 76 E -9.249 12.146 -12.864 -5.062 7 95 339 1880 2356 Inactive Permissive 15320 1RBP PHE 77 E -8.015 10.499 -11.42 -4.857 5 109 350 1872 2491 Inactive Permissive 15321 1RBP THR 78 E -6.495 6.917 -11.229 -4.891 3 153 399 1872 2725 Inactive Permissive 15322 1RBP ASP 79 E -6.381 6.745 -11.427 -4.85 3 340 578 1839 2884 Gatekeeper Permissive 15323 1RBP THR 80 T -6.208 6.963 -11.152 -4.677 3 364 660 1814 2984 Gatekeeper Permissive 15324 1RBP GLU 81 T -6.206 6.966 -11.155 -4.676 3 386 730 1785 3019 Gatekeeper Permissive 15325 1RBP ASP 82 T -6.232 6.823 -11.152 -4.669 3 412 846 1766 3013 Gatekeeper Permissive 15326 1RBP PRO 83 T -6.762 7.118 -11.063 -4.342 3 435 953 1733 2998 Gatekeeper Permissive 15327 1RBP ALA 84 T -7.004 7.693 -10.409 -4.186 4 438 959 1686 2951 Gatekeeper Permissive 15328 1RBP LYS 85 E -9.395 9.901 -12.672 -4.501 5 453 958 1651 2908 Gatekeeper Permissive 15329 1RBP PHE 86 E -12.727 15.891 -14.7 -4.933 8 489 941 1618 2929 Gatekeeper Permissive 15330 1RBP LYS 87 E -14.063 17.531 -16.786 -5.65 8 487 828 1591 2823 Gatekeeper Permissive 15331 1RBP MET 88 E -13.681 15.595 -17.057 -5.745 8 499 788 1535 2646 Gatekeeper Inactive 15332 1RBP LYS 89 E -11.311 14.045 -13.78 -5.099 7 518 835 1492 2393 Gatekeeper Inactive 15333 1RBP TYR 90 E -10.018 14.868 -11.62 -4.884 7 580 990 1442 2156 Gatekeeper Inactive 15334 1RBP TRP 91 E -6.873 10.301 -8.555 -3.987 4 639 1085 1373 1823 Gatekeeper Inactive 15335 1RBP GLY 92 E -5.483 8.606 -7.618 -3.766 2 621 954 1326 1546 Gatekeeper Inactive 15336 1RBP VAL 93 T -5.371 8.987 -7.517 -3.719 2 742 950 1282 1331 Selective Inactive 15337 1RBP ALA 94 T -5.371 8.988 -7.519 -3.719 2 873 962 1250 1191 Selective Inactive 15338 1RBP SER 95 T -5.37 8.994 -7.527 -3.721 2 1042 979 1231 1175 Selective Inactive 15339 1RBP PHE 96 T -5.418 8.886 -7.444 -3.699 2 1184 976 1237 1322 Selective Inactive 15340 1RBP LEU 97 T -6.4 10.844 -7.144 -3.52 4 1363 980 1280 1612 Selective Inactive 15341 1RBP GLN 98 C -8.579 11.417 -11.862 -4.629 5 1652 973 1327 2042 Selective Inactive 15342 1RBP LYS 99 C -8.627 11.303 -12.06 -4.752 5 1770 945 1404 2693 Selective Inactive 15343 1RBP GLY 100 E -9.291 10.055 -14.581 -5.384 6 1853 964 1464 3623 Selective Gatekeeper 15344 1RBP ASN 101 E -9.62 8.641 -15.944 -5.676 6 1887 952 1557 4699 Selective Selective 15345 1RBP ASP 102 E -10.135 7.327 -17.277 -5.891 6 1865 889 1656 5914 Selective Selective 15346 1RBP ASP 103 E -10.361 7.483 -17.074 -5.928 6 1793 718 1767 7161 Selective Selective 15347 1RBP HIS 104 E -12.811 9.911 -19.689 -6.398 8 1704 567 1871 8463 Selective Selective 15348 1RBP TRP 105 E -13.738 19.534 -15.083 -5.512 8 1541 519 1966 9748 Selective Selective 15349 1RBP ILE 106 E -12.226 14.247 -15.113 -5.174 8 1410 441 2024 11003 Permissive Selective 15350 1RBP VAL 107 E -12.212 14.257 -15.184 -5.189 8 1267 359 2071 12086 Permissive Selective 15351 1RBP ASP 108 E -12.197 14.136 -15.348 -5.228 8 1106 233 2114 12953 Permissive Selective 15352 1RBP THR 109 E -10.878 12.364 -15.309 -5.855 8 975 132 2139 13573 Permissive Selective 15353 1RBP ASP 110 T -10.832 12.581 -15.317 -5.868 8 826 116 2138 13952 Permissive Selective 15354 1RBP TYR 111 T -10.884 12.489 -15.337 -5.936 8 575 87 2138 14060 Inactive Selective 15355 1RBP ASP 112 T -10.791 13.113 -14.961 -5.782 8 444 54 2105 13810 Inactive Selective 15356 1RBP THR 113 T -10.793 13.119 -14.946 -5.78 8 389 46 2075 13213 Inactive Selective 15357 1RBP TYR 114 E -11.673 16.42 -13.72 -5.266 8 378 59 2019 12362 Inactive Selective 15358 1RBP ALA 115 E -11.909 16.81 -12.922 -4.911 7 418 77 1956 11280 Inactive Selective 15359 1RBP VAL 116 E -11.925 16.775 -12.846 -4.89 7 488 100 1880 10126 Inactive Selective 15360 1RBP GLN 117 E -15.153 18.21 -17.778 -5.571 8 622 152 1811 8920 Inactive Selective 15361 1RBP TYR 118 E -15.11 15.254 -19.781 -5.977 8 687 185 1713 7667 Permissive Selective 15362 1RBP SER 119 E -11.987 9.964 -16.912 -5.2 6 740 200 1610 6389 Permissive Selective 15363 1RBP CYS 120 E -11.484 9.745 -16.95 -5.221 6 799 222 1519 5233 Permissive Gatekeeper 15364 1RBP ARG 121 E -10.187 7.972 -15.442 -4.752 6 833 244 1437 4230 Permissive Gatekeeper 15365 1RBP LEU 122 E -6.668 4.911 -11.37 -4.138 3 844 254 1367 3378 Permissive Gatekeeper 15366 1RBP LEU 123 E -5.292 4.414 -10.455 -4.459 2 874 302 1315 2681 Permissive Inactive 15367 1RBP ASN 124 T -4.502 4.547 -9.877 -4.656 2 916 350 1281 2217 Permissive Inactive 15368 1RBP LEU 125 T -4.442 4.617 -9.999 -4.688 2 1156 581 1283 2027 Selective Inactive 15369 1RBP ASP 126 T -4.441 4.622 -10.005 -4.69 2 1375 816 1311 2030 Selective Inactive 15370 1RBP GLY 127 T -4.455 4.617 -9.975 -4.703 2 1550 1037 1359 2253 Selective Inactive 15371 1RBP THR 128 C -4.602 4.688 -9.866 -4.761 2 1645 1081 1408 2606 Selective Inactive 15372 1RBP CYS 129 E -5.813 5.323 -11.194 -4.994 3 1687 1297 1475 3003 Selective Inactive 15373 1RBP ALA 130 E -8.033 7.431 -13.845 -5.456 6 1649 1439 1556 3362 Selective Selective 15374 1RBP ASP 131 E -9.215 8.528 -17.063 -6.941 6 1834 1990 1653 3727 Selective Selective 15375 1RBP SER 132 E -10.537 9.024 -16.795 -5.965 6 1900 2538 1757 4058 Selective Selective 15376 1RBP TYR 133 E -12.944 12.856 -17.895 -5.939 8 2109 3785 1846 4357 Selective Selective 15377 1RBP SER 134 E -13.877 16.041 -17.389 -5.718 8 2466 5546 1915 4529 Selective Selective 15378 1RBP PHE 135 E -14.484 19.994 -15.183 -5.23 8 2889 7300 1959 4593 Selective Selective 15379 1RBP VAL 136 E -14.466 19.865 -15.267 -5.205 8 3134 8700 1951 4563 Selective Selective 15380 1RBP PHE 137 E -14.378 18.996 -15.785 -5.193 8 3288 9957 1903 4385 Selective Selective 15381 1RBP SER 138 E -10.895 7.722 -16.179 -4.823 6 3227 10830 1819 4050 Selective Selective 15382 1RBP ARG 139 T -7.548 6.573 -12.507 -4.86 3 3130 11727 1704 3650 Selective Selective 15383 1RBP ASP 140 T -5.193 8.559 -8.356 -4.755 2 3194 12775 1585 3172 Selective Permissive 15384 1RBP PRO 141 T -5.008 9.064 -8.157 -4.663 2 3285 13927 1470 2676 Selective Inactive 15385 1RBP ASN 142 T -4.981 9.065 -8.233 -4.658 2 3273 14291 1365 2184 Selective Inactive 15386 1RBP GLY 143 T -4.953 9.054 -8.299 -4.644 2 3367 14670 1261 1740 Selective Inactive 15387 1RBP LEU 144 C -4.946 9.114 -8.26 -4.624 2 3306 14457 1181 1380 Selective Inactive 15388 1RBP PRO 145 C -5.551 10.018 -8.285 -4.379 4 3435 14239 1115 1125 Selective Inactive 15389 1RBP PRO 146 H -6.159 8.987 -9.801 -4.298 4 3310 12982 1072 975 Selective Inactive 15390 1RBP GLU 147 H -6.39 8.939 -9.802 -4.185 4 2965 11193 1045 1016 Selective Inactive 15391 1RBP ALA 148 H -6.822 9.058 -9.954 -3.991 4 2604 9427 1042 1155 Selective Inactive 15392 1RBP GLN 149 H -7.327 7.461 -11.493 -4.112 5 2385 7973 1099 1397 Selective Inactive 15393 1RBP LYS 150 H -7.637 7.057 -11.747 -4.159 5 2251 6657 1189 1766 Selective Inactive 15394 1RBP ILE 151 H -9.24 9.109 -13.705 -4.659 5 2210 5562 1312 2252 Selective Inactive 15395 1RBP VAL 152 H -10.347 11.258 -13.88 -4.642 7 2217 4423 1441 2836 Selective Inactive 15396 1RBP ARG 153 H -11.804 9.471 -16.681 -4.588 6 2402 3167 1557 3351 Selective Permissive 15397 1RBP GLN 154 H -11.993 9.319 -16.489 -4.539 6 2637 1995 1653 3840 Selective Selective 15398 1RBP ARG 155 H -14.425 12.267 -20.182 -5.489 8 2899 1418 1743 4289 Selective Selective 15399 1RBP GLN 156 H -14.629 12.301 -21.325 -6.101 8 2904 883 1809 4608 Selective Selective 15400 1RBP GLU 157 H -13.077 11.574 -18.319 -5.691 8 2925 543 1851 4767 Selective Selective 15401 1RBP GLU 158 H -12.593 12.26 -17.366 -5.434 8 2857 216 1882 4804 Permissive Selective 15402 1RBP LEU 159 H -12.102 12.475 -16.409 -5.157 8 2852 236 1850 4736 Permissive Selective 15403 1RBP CYS 160 C -10.562 9.109 -15.791 -5.189 6 2953 395 1810 4545 Permissive Selective 15404 1RBP LEU 161 T -10.485 9.771 -15.642 -5.233 6 2917 453 1778 4341 Permissive Selective 15405 1RBP ALA 162 T -10.299 9.942 -15.366 -5.066 6 - - - - - - 15406 1RBP ARG 163 T -9.851 9.841 -14.502 -4.758 6 - - - - - - 15407 1RBP GLN 164 T -9.478 11.227 -13.168 -4.601 7 - - - - - - 15408 1RBP TYR 165 C -7.464 12.083 -8.254 -3.808 4 - - - - - - 15409 1RBP ARG 166 E -6.598 10.034 -8.119 -3.487 4 - - - - - - 15410 1RBP LEU 167 E -6.596 10.046 -8.142 -3.502 4 - - - - - - 15411 1RBP ILE 168 C -6.594 10.06 -8.17 -3.521 4 - - - - - - 15412 1RBP VAL 169 C -6.569 9.991 -8.449 -3.655 4 - - - - - - 15413 1RBP HIS 170 C -6.533 9.223 -9.593 -4.24 4 - - - - - - 15414 1RBP ASN 171 C -5.712 6.642 -10.518 -5.007 3 - - - - - - 15415 1RBP GLY 172 C -5.712 6.642 -10.518 -5.007 3 - - - - - - 15416 1RBP TYR 173 C -5.712 6.642 -10.518 -5.007 3 - - - - - - 15417 1RBP CYS 174 C -5.712 6.642 -10.518 -5.007 3 - - - - - - 15418 1RLW SER 16 C -11.821 10.49 -15.267 -4.329 6 - - - - - - 15419 1RLW SER 17 C -11.821 10.49 -15.267 -4.329 6 - - - - - - 15420 1RLW HIS 18 E -11.821 10.49 -15.267 -4.329 6 - - - - - - 15421 1RLW LYS 19 E -11.821 10.49 -15.267 -4.329 6 - - - - - - 15422 1RLW PHE 20 E -11.104 16.546 -10.929 -4.165 7 - - - - - - 15423 1RLW THR 21 E -10.257 14.482 -11.259 -4.106 7 - - - - - - 15424 1RLW VAL 22 E -10.229 14.514 -11.316 -4.096 7 - - - - - - 15425 1RLW VAL 23 E -10.176 14.49 -11.42 -4.081 7 - - - - - - 15426 1RLW VAL 24 E -10.118 14.435 -11.553 -4.089 7 - - - - - - 15427 1RLW LEU 25 E -10.174 13.739 -11.985 -4.127 7 - - - - - - 15428 1RLW ARG 26 E -10.485 13.074 -13.203 -4.277 7 - - - - - - 15429 1RLW ALA 27 E -9.847 12.935 -12.449 -4.522 7 - - - - - - 15430 1RLW THR 28 E -9.784 13.054 -12.638 -4.697 7 1393 339 1187 1934 Permissive Selective 15431 1RLW LYS 29 T -8.899 12.192 -12.324 -5.239 7 1183 338 1178 1728 Permissive Selective 15432 1RLW VAL 30 T -8.187 10.478 -12.173 -5.048 5 1074 463 1154 1508 Permissive Selective 15433 1RLW THR 31 C -7.487 9.037 -12.172 -5.154 5 956 584 1146 1337 Permissive Gatekeeper 15434 1RLW LYS 32 C -6.382 6.479 -11.887 -5.184 3 828 1085 1178 1237 Selective Selective 15435 1RLW GLY 33 C -6.279 6.254 -12.063 -5.12 3 581 1401 1226 1192 Gatekeeper Permissive 15436 1RLW ALA 34 H -6.234 6.167 -12.1 -5.06 3 377 1665 1251 1208 Gatekeeper Selective 15437 1RLW PHE 35 H -6.196 6.016 -12.146 -5.004 3 149 1714 1266 1298 Gatekeeper Selective 15438 1RLW GLY 36 H -6.242 5.811 -12.162 -4.989 3 91 1865 1263 1402 Gatekeeper Selective 15439 1RLW ASP 37 H -6.853 5.506 -12.878 -4.615 3 118 2104 1238 1528 Gatekeeper Selective 15440 1RLW MET 38 H -7.084 6.379 -12.573 -4.479 3 221 2523 1191 1609 Gatekeeper Selective 15441 1RLW LEU 39 H -7.327 6.713 -12.6 -4.519 5 299 2942 1163 1656 Gatekeeper Selective 15442 1RLW ASP 40 C -7.843 8.494 -12.548 -4.703 5 401 3312 1135 1801 Gatekeeper Gatekeeper 15443 1RLW THR 41 C -7.887 8.693 -12.286 -4.661 5 527 3631 1134 2016 Gatekeeper Gatekeeper 15444 1RLW PRO 42 C -8.198 9.727 -11.36 -4.437 5 721 4368 1160 2272 Gatekeeper Selective 15445 1RLW ASP 43 C -10.197 10.342 -13.815 -4.691 7 803 4549 1232 2556 Selective Selective 15446 1RLW PRO 44 E -12.319 13.831 -15.347 -4.66 8 920 4823 1303 2830 Selective Selective 15447 1RLW TYR 45 E -12.896 17.91 -14.386 -4.969 8 1014 4565 1362 2980 Selective Selective 15448 1RLW VAL 46 E -12.475 18.229 -13.71 -5.091 8 1075 4352 1390 3010 Selective Selective 15449 1RLW GLU 47 E -12.414 17.987 -13.988 -5.18 8 1139 4182 1386 2932 Selective Selective 15450 1RLW LEU 48 E -11.264 15.429 -13.34 -5.051 7 1223 4150 1379 2753 Selective Selective 15451 1RLW PHE 49 E -9.901 13.648 -12.624 -5.283 7 1266 4050 1360 2528 Selective Selective 15452 1RLW ILE 50 E -6.723 9.422 -9.464 -4.482 4 1287 3796 1316 2273 Selective Selective 15453 1RLW SER 51 T -4.977 5.637 -9.196 -4.372 2 1389 3462 1280 2078 Selective Selective 15454 1RLW THR 52 T -4.904 5.623 -9.412 -4.409 2 1432 3103 1245 1937 Selective Selective 15455 1RLW THR 53 T -4.885 5.657 -9.467 -4.41 2 1454 2760 1209 1745 Selective Selective 15456 1RLW PRO 54 T -4.874 5.689 -9.5 -4.413 2 1466 2502 1172 1518 Selective Selective 15457 1RLW ASP 55 T -4.9 5.518 -9.502 -4.41 2 1392 1764 1125 1260 Selective Gatekeeper 15458 1RLW SER 56 T -5.96 5.968 -11.097 -4.628 3 1411 1459 1060 987 Selective Inactive 15459 1RLW ARG 57 C -6.65 6.974 -11.176 -4.499 3 1398 1117 958 702 Selective Inactive 15460 1RLW LYS 58 E -7.24 7.481 -11.275 -4.585 3 1361 926 842 509 Permissive Inactive 15461 1RLW ARG 59 E -10.656 11.38 -14.797 -5.12 6 1329 947 744 371 Selective Inactive 15462 1RLW THR 60 C -10.146 10.679 -14.102 -4.986 6 1263 900 666 276 Permissive Inactive 15463 1RLW ARG 61 C -9.065 9.686 -13.203 -4.881 5 1212 858 591 216 Permissive Inactive 15464 1RLW HIS 62 C -8.98 9.724 -13.409 -4.948 6 1165 820 550 196 Permissive Inactive 15465 1RLW PHE 63 T -8.919 9.743 -13.514 -4.968 6 1110 936 535 187 Permissive Inactive 15466 1RLW ASN 64 T -8.275 8.306 -13.625 -5.142 6 910 992 517 174 Selective Inactive 15467 1RLW ASN 65 T -8.128 8.55 -13.31 -5.015 5 803 1162 498 162 Selective Inactive 15468 1RLW ASP 66 T -7.875 8.689 -12.375 -4.615 5 701 1253 469 176 Gatekeeper Inactive 15469 1RLW ILE 67 T -7.877 8.767 -12.306 -4.596 5 639 1408 459 196 Gatekeeper Inactive 15470 1RLW ASN 68 T -7.826 9.194 -12.14 -4.606 5 558 1572 468 249 Gatekeeper Inactive 15471 1RLW PRO 69 T -8.024 10.044 -11.459 -4.338 5 513 1924 492 310 Gatekeeper Inactive 15472 1RLW VAL 70 E -7.712 11.337 -10.726 -4.653 4 456 2078 550 420 Gatekeeper Inactive 15473 1RLW TRP 71 E -7.951 12.637 -10.489 -4.957 4 441 2278 636 526 Gatekeeper Inactive 15474 1RLW ASN 72 E -7.895 12.613 -10.685 -5.045 4 519 2330 721 655 Gatekeeper Inactive 15475 1RLW GLU 73 E -7.96 12.573 -10.659 -5.084 4 656 2602 822 799 Gatekeeper Inactive 15476 1RLW THR 74 E -7.867 13.325 -10.392 -5.136 4 707 2799 924 935 Gatekeeper Inactive 15477 1RLW PHE 75 E -8.566 15.549 -10.583 -5.459 7 824 3111 1051 1120 Selective Inactive 15478 1RLW GLU 76 E -8.6 15.461 -10.57 -5.46 7 859 3079 1184 1307 Selective Selective 15479 1RLW PHE 77 E -8.861 16.977 -9.554 -5.34 7 931 3104 1304 1487 Selective Selective 15480 1RLW ILE 78 E -8.5 13.055 -10.964 -4.911 7 932 2934 1409 1653 Selective Selective 15481 1RLW LEU 79 E -8.309 8.996 -12.515 -4.685 5 936 2846 1518 1794 Selective Selective 15482 1RLW ASP 80 T -7.063 6.14 -12.334 -4.777 3 902 2685 1617 2083 Selective Selective 15483 1RLW PRO 81 T -7.032 6.206 -12.424 -4.802 3 892 2548 1715 2292 Selective Selective 15484 1RLW ASN 82 T -7.019 6.233 -12.481 -4.816 3 875 2196 1803 2467 Selective Selective 15485 1RLW GLN 83 T -7.042 6.134 -12.477 -4.831 3 844 1988 1874 2584 Selective Selective 15486 1RLW GLU 84 C -7.088 5.906 -12.483 -4.834 3 794 1733 1895 2660 Gatekeeper Selective 15487 1RLW ASN 85 C -8.558 7.666 -14.396 -5.325 6 690 1552 1895 2674 Gatekeeper Selective 15488 1RLW VAL 86 E -9.133 8.759 -14.488 -5.297 6 558 1210 1889 2659 Gatekeeper Selective 15489 1RLW LEU 87 E -10.006 14.134 -12.617 -4.875 7 478 916 1861 2612 Inactive Selective 15490 1RLW GLU 88 E -10.062 14.764 -12.225 -4.834 7 352 547 1816 2516 Inactive Selective 15491 1RLW ILE 89 E -10.167 15.415 -11.74 -4.763 7 317 433 1772 2403 Inactive Selective 15492 1RLW THR 90 E -10.171 15.424 -11.729 -4.767 7 234 239 1721 2272 Inactive Selective 15493 1RLW LEU 91 E -10.988 16.978 -12.647 -5.131 7 221 162 1672 2127 Inactive Selective 15494 1RLW MET 92 E -11.21 14.492 -15.491 -5.912 8 208 90 1616 1978 Inactive Selective 15495 1RLW ASP 93 E -8.244 4.795 -14.009 -4.581 5 191 31 1555 1671 Inactive Selective 15496 1RLW ALA 94 C -4.761 2.839 -9.728 -3.968 2 178 4 1478 1419 Inactive Selective 15497 1RLW ASN 95 T -3.906 2.453 -9.585 -4.234 2 162 7 1401 1197 Inactive Selective 15498 1RLW TYR 96 T -3.871 2.54 -9.657 -4.249 2 177 15 1322 1008 Inactive Permissive 15499 1RLW VAL 97 T -3.857 2.59 -9.695 -4.258 2 185 18 1271 867 Inactive Permissive 15500 1RLW MET 98 T -3.857 2.589 -9.693 -4.258 2 189 24 1220 758 Inactive Permissive 15501 1RLW ASP 99 C -4.003 2.52 -9.68 -4.336 2 196 25 1149 651 Inactive Inactive 15502 1RLW GLU 100 E -5.355 4.282 -10.972 -4.536 3 203 26 1114 592 Inactive Inactive 15503 1RLW THR 101 E -5.935 5.957 -10.941 -4.625 3 230 30 1054 524 Inactive Inactive 15504 1RLW LEU 102 E -6.524 10.291 -9.576 -4.558 4 230 30 973 460 Inactive Inactive 15505 1RLW GLY 103 E -6.342 10.763 -9.318 -4.551 4 256 32 923 411 Inactive Inactive 15506 1RLW THR 104 E -6.066 11.702 -8.57 -4.527 4 268 32 885 376 Inactive Inactive 15507 1RLW ALA 105 E -6.087 11.884 -8.401 -4.491 4 282 32 858 353 Inactive Inactive 15508 1RLW THR 106 E -6.246 12.491 -8.103 -4.48 4 309 32 834 338 Inactive Inactive 15509 1RLW PHE 107 E -6.398 12.974 -7.81 -4.496 4 391 31 813 330 Inactive Inactive 15510 1RLW THR 108 E -6.59 13.286 -7.567 -4.483 4 391 26 789 316 Inactive Inactive 15511 1RLW VAL 109 G -7.913 13.005 -10.088 -4.442 4 375 26 771 288 Inactive Inactive 15512 1RLW SER 110 G -8.035 10.922 -11.545 -4.563 5 415 43 750 261 Inactive Inactive 15513 1RLW SER 111 G -7.563 8.64 -12.07 -4.782 5 529 96 758 244 Inactive Inactive 15514 1RLW MET 112 C -6.422 7.851 -10.673 -4.777 3 769 279 782 244 Inactive Inactive 15515 1RLW LYS 113 T -4.361 6.784 -8.188 -4.686 2 919 452 783 226 Permissive Inactive 15516 1RLW VAL 114 T -4.336 6.859 -8.272 -4.709 2 1047 612 794 218 Permissive Inactive 15517 1RLW GLY 115 T -4.311 6.92 -8.383 -4.754 2 1215 776 825 225 Permissive Inactive 15518 1RLW GLU 116 E -4.31 6.935 -8.383 -4.757 2 1268 800 843 234 Permissive Inactive 15519 1RLW LYS 117 E -4.303 7.043 -8.344 -4.756 2 1328 815 861 238 Permissive Inactive 15520 1RLW LYS 118 E -5.556 9.163 -10.035 -5.282 3 1362 825 873 250 Permissive Inactive 15521 1RLW GLU 119 E -5.723 9.974 -9.588 -5.153 3 1349 835 899 280 Permissive Inactive 15522 1RLW VAL 120 E -6.073 11.282 -8.441 -4.637 4 1339 885 930 331 Permissive Inactive 15523 1RLW PRO 121 E -6.125 11.302 -8.226 -4.565 4 1342 896 967 412 Permissive Inactive 15524 1RLW PHE 122 E -6.965 14.062 -6.915 -3.947 4 1375 890 1006 544 Permissive Inactive 15525 1RLW ILE 123 E -4.746 9.603 -6.34 -4.043 2 1318 870 1059 742 Permissive Inactive 15526 1RLW PHE 124 E -4.736 9.565 -6.422 -4.068 2 1193 811 1099 917 Permissive Inactive 15527 1RLW ASN 125 T -4.732 9.555 -6.46 -4.075 2 935 626 1143 1105 Permissive Inactive 15528 1RLW GLN 126 T -4.732 9.555 -6.46 -4.075 2 773 452 1196 1332 Inactive Selective 15529 1RLW VAL 127 T -4.733 9.549 -6.457 -4.074 2 616 288 1238 1578 Inactive Selective 15530 1RLW THR 128 E -6.576 10.667 -9.212 -4.688 4 443 124 1279 1833 Inactive Selective 15531 1RLW GLU 129 E -7.649 8.451 -11.865 -4.969 5 - - - - - - 15532 1RLW MET 130 E -9.838 12.199 -13.227 -5.289 6 - - - - - - 15533 1RLW VAL 131 E -11.556 15.478 -14.642 -5.375 8 - - - - - - 15534 1RLW LEU 132 E -12.01 16.993 -14.676 -5.497 8 - - - - - - 15535 1RLW GLU 133 E -12.145 16.889 -14.969 -5.588 8 - - - - - - 15536 1RLW MET 134 E -12.194 16.619 -15.307 -5.73 8 - - - - - - 15537 1RLW SER 135 E -10.792 11.293 -15.777 -5.937 8 - - - - - - 15538 1RLW LEU 136 E -7.997 9.797 -11.385 -4.845 5 - - - - - - 15539 1RLW GLU 137 E -5.038 5.473 -8.686 -3.947 2 - - - - - - 15540 1RLW VAL 138 C -3.248 3.463 -6.135 -2.822 1 - - - - - - 15541 1RLW ALA 139 C -3.248 3.463 -6.135 -2.822 1 - - - - - - 15542 1RLW SER 140 C -3.248 3.463 -6.135 -2.822 1 - - - - - - 15543 1RLW SER 141 C -3.248 3.463 -6.135 -2.822 1 - - - - - - 15544 1SRA PRO 136 C -5.049 2.699 -9.675 -3.48 2 - - - - - - 15545 1SRA PRO 137 C -5.049 2.699 -9.675 -3.48 2 - - - - - - 15546 1SRA CYS 138 C -5.049 2.699 -9.675 -3.48 2 - - - - - - 15547 1SRA LEU 139 C -5.049 2.699 -9.675 -3.48 2 - - - - - - 15548 1SRA ASP 140 H -7.072 2.803 -13.971 -4.642 3 - - - - - - 15549 1SRA SER 141 H -8.276 3.938 -15.977 -5.314 6 - - - - - - 15550 1SRA GLU 142 H -9.16 6.482 -16.263 -5.611 6 - - - - - - 15551 1SRA LEU 143 H -9.509 8.005 -14.679 -4.952 6 - - - - - - 15552 1SRA THR 144 H -9.505 8.084 -14.639 -4.94 6 - - - - - - 15553 1SRA GLU 145 H -10.989 11.608 -15.264 -5.137 6 - - - - - - 15554 1SRA PHE 146 H -11.834 15.75 -13.9 -4.877 7 - - - - - - 15555 1SRA PRO 147 H -11.874 15.734 -13.731 -4.815 7 - - - - - - 15556 1SRA LEU 148 H -12.192 15.527 -13.668 -4.759 7 565 425 1670 7477 Inactive Selective 15557 1SRA ARG 149 H -15.572 18.973 -17.361 -5.227 8 693 89 1667 8201 Inactive Selective 15558 1SRA MET 150 H -16.286 20.172 -17.725 -5.366 8 811 78 1613 8746 Inactive Selective 15559 1SRA ARG 151 H -17.294 19.69 -19.729 -5.631 8 872 77 1541 9144 Permissive Selective 15560 1SRA ASP 152 H -17.185 18.7 -20.772 -6.196 8 941 79 1479 9364 Permissive Selective 15561 1SRA TRP 153 H -15.802 16.963 -19.126 -5.778 8 1042 85 1441 9367 Permissive Selective 15562 1SRA LEU 154 H -15.145 17.029 -18.285 -5.574 8 1154 86 1420 9211 Permissive Gatekeeper 15563 1SRA LYS 155 H -14.354 15.472 -17.83 -5.365 8 1332 93 1408 8900 Permissive Gatekeeper 15564 1SRA ASN 156 H -11.49 12.408 -13.969 -4.4 7 1617 116 1360 8435 Permissive Gatekeeper 15565 1SRA VAL 157 H -10.737 13.753 -12.324 -4.102 7 2215 244 1349 7903 Permissive Gatekeeper 15566 1SRA LEU 158 H -10.733 13.794 -12.332 -4.107 7 2566 286 1372 7292 Permissive Gatekeeper 15567 1SRA VAL 159 H -10.636 14.108 -12.49 -4.262 7 2775 285 1394 6667 Permissive Gatekeeper 15568 1SRA THR 160 H -9.821 14.224 -11.757 -4.65 7 2923 272 1423 5986 Permissive Selective 15569 1SRA LEU 161 H -9.808 14.421 -11.766 -4.724 7 3033 280 1440 5224 Permissive Selective 15570 1SRA TYR 162 H -9.734 13.817 -12.455 -5.029 7 3084 281 1418 4465 Permissive Gatekeeper 15571 1SRA GLU 163 H -6.951 6.058 -12.052 -4.853 3 3095 283 1402 3806 Permissive Gatekeeper 15572 1SRA ARG 164 H -6.865 6.083 -12.268 -4.884 3 3142 288 1392 3195 Permissive Gatekeeper 15573 1SRA ASP 165 T -6.448 4.792 -12.984 -5.06 3 3118 288 1365 2654 Permissive Inactive 15574 1SRA GLU 166 T -4.819 5.183 -9.955 -4.859 3 3025 284 1326 2222 Permissive Inactive 15575 1SRA ASP 167 T -4.814 5.22 -9.968 -4.861 3 2881 283 1281 1885 Permissive Inactive 15576 1SRA ASN 168 T -4.829 5.201 -9.912 -4.861 3 2649 274 1256 1607 Permissive Inactive 15577 1SRA ASN 169 T -4.83 5.211 -9.903 -4.86 3 2309 248 1241 1375 Permissive Inactive 15578 1SRA LEU 170 T -4.848 5.285 -9.78 -4.847 2 1684 113 1206 1164 Permissive Inactive 15579 1SRA LEU 171 T -7.247 9.559 -11.637 -5.006 3 1307 66 1176 1062 Permissive Inactive 15580 1SRA THR 172 C -7.696 9.687 -11.948 -4.912 5 1048 42 1164 984 Permissive Inactive 15581 1SRA GLU 173 H -7.738 9.671 -11.84 -4.89 5 846 32 1165 1018 Inactive Inactive 15582 1SRA LYS 174 H -8.132 10.093 -11.696 -4.896 5 613 22 1191 1168 Inactive Inactive 15583 1SRA GLN 175 H -9.859 8.896 -15.55 -5.368 6 405 19 1246 1406 Inactive Inactive 15584 1SRA LYS 176 H -10.533 8.485 -16.775 -5.664 6 283 12 1338 1677 Inactive Inactive 15585 1SRA LEU 177 H -11.175 10.067 -16.598 -5.411 6 176 7 1421 1947 Inactive Permissive 15586 1SRA ARG 178 H -11.497 12.303 -15.149 -4.918 8 112 4 1470 2217 Inactive Permissive 15587 1SRA VAL 179 H -11.215 12.911 -14.866 -4.985 8 79 2 1482 2338 Inactive Permissive 15588 1SRA LYS 180 H -10.835 12.031 -15.236 -5.179 6 78 2 1481 2340 Inactive Permissive 15589 1SRA LYS 181 H -10.526 11.503 -15.524 -5.398 6 86 3 1453 2331 Inactive Permissive 15590 1SRA ILE 182 H -9.572 10.017 -14.663 -5.523 6 101 5 1420 2315 Inactive Inactive 15591 1SRA HIS 183 H -7.73 5.505 -14.194 -5.425 6 176 43 1373 2283 Inactive Inactive 15592 1SRA GLU 184 H -7.695 5.563 -14.293 -5.44 6 256 118 1312 2205 Inactive Inactive 15593 1SRA ASN 185 T -7.691 5.58 -14.303 -5.441 6 283 156 1252 2108 Inactive Inactive 15594 1SRA GLU 186 T -7.692 5.567 -14.305 -5.44 6 286 163 1179 1972 Inactive Inactive 15595 1SRA LYS 187 T -7.713 5.42 -14.3 -5.436 6 295 183 1114 1788 Inactive Inactive 15596 1SRA ARG 188 T -9.235 7.091 -15.983 -5.625 6 314 233 1069 1564 Inactive Inactive 15597 1SRA LEU 189 C -7.253 5.157 -12.962 -4.891 3 334 308 1025 1338 Inactive Inactive 15598 1SRA GLU 190 C -5.289 4.835 -10.626 -4.85 3 358 345 1003 1156 Inactive Inactive 15599 1SRA ALA 191 C -4.631 5.105 -9.68 -4.569 2 386 524 998 1008 Inactive Inactive 15600 1SRA GLY 192 C -4.597 5.217 -9.713 -4.569 2 407 601 1031 1048 Gatekeeper Inactive 15601 1SRA ASP 193 C -4.594 5.231 -9.72 -4.568 2 402 603 1064 1233 Gatekeeper Inactive 15602 1SRA HIS 194 C -4.6 5.236 -9.686 -4.564 2 414 612 1098 1554 Gatekeeper Inactive 15603 1SRA PRO 195 C -4.81 5.441 -9.317 -4.439 2 433 655 1149 1998 Gatekeeper Inactive 15604 1SRA VAL 196 H -6.213 7.444 -10.32 -4.524 3 377 618 1226 2598 Gatekeeper Inactive 15605 1SRA GLU 197 H -7.376 9.654 -10.723 -4.274 4 326 544 1302 3260 Gatekeeper Gatekeeper 15606 1SRA LEU 198 H -7.818 11.242 -10.123 -4.181 4 479 537 1387 4099 Inactive Gatekeeper 15607 1SRA LEU 199 H -7.97 11.712 -9.685 -4.161 4 580 550 1475 5023 Gatekeeper Selective 15608 1SRA ALA 200 H -9.488 12.849 -11.432 -4.408 7 881 658 1551 6054 Selective Selective 15609 1SRA ARG 201 H -10.97 11.789 -14.515 -4.642 7 1052 798 1595 7030 Selective Selective 15610 1SRA ASP 202 H -11.749 10.805 -16.793 -5.16 8 1262 950 1604 8033 Selective Selective 15611 1SRA PHE 203 H -11.782 10.725 -16.835 -5.208 8 1474 1109 1582 8881 Selective Selective 15612 1SRA GLU 204 H -11.24 10.527 -17.096 -5.757 8 1823 1163 1576 9644 Selective Selective 15613 1SRA LYS 205 H -11.225 10.677 -17.16 -5.857 8 2070 1272 1565 10341 Selective Selective 15614 1SRA ASN 206 H -11.43 10.777 -17.455 -6.173 8 2426 1724 1567 10975 Selective Selective 15615 1SRA TYR 207 G -11.457 10.821 -17.36 -6.172 8 2582 2138 1571 11454 Selective Selective 15616 1SRA ASN 208 G -11.41 11.567 -17.02 -6.137 8 2687 2329 1567 11718 Selective Selective 15617 1SRA MET 209 G -12.357 16.24 -16.01 -6.184 8 2841 2543 1555 11721 Selective Selective 15618 1SRA TYR 210 H -12.688 20.332 -13.483 -5.611 8 2950 2749 1565 11635 Selective Selective 15619 1SRA ILE 211 H -12.364 20.29 -12.649 -5.089 7 2873 2871 1543 11243 Selective Selective 15620 1SRA PHE 212 H -12.391 20.388 -12.479 -5.049 7 2817 2911 1539 10719 Selective Selective 15621 1SRA PRO 213 H -12.733 20.732 -11.695 -4.482 7 2526 2866 1544 10061 Selective Selective 15622 1SRA VAL 214 H -12.74 20.707 -11.662 -4.47 7 2368 2697 1558 9388 Selective Selective 15623 1SRA HIS 215 H -12.863 20.21 -11.658 -4.414 7 2161 2493 1593 8606 Selective Selective 15624 1SRA TRP 216 H -14.799 19.544 -17.28 -6.079 8 1940 2408 1617 7881 Selective Selective 15625 1SRA GLN 217 H -13.692 16.665 -16.839 -5.893 8 1556 2198 1618 7113 Selective Selective 15626 1SRA PHE 218 H -13.262 15.896 -16.814 -5.752 8 1283 2038 1585 6270 Selective Selective 15627 1SRA GLY 219 H -11.251 10.301 -16.703 -5.714 8 918 1596 1528 5389 Selective Selective 15628 1SRA GLN 220 H -10.799 10.422 -16.19 -5.517 6 735 1177 1455 4524 Gatekeeper Selective 15629 1SRA LEU 221 H -10.196 9.509 -15.276 -4.98 6 592 943 1376 3767 Gatekeeper Gatekeeper 15630 1SRA ASP 222 T -6.592 4.005 -11.634 -4.075 3 415 731 1300 3117 Gatekeeper Inactive 15631 1SRA GLN 223 T -5.234 3.436 -10.29 -3.973 2 276 526 1204 2499 Inactive Inactive 15632 1SRA HIS 224 T -4.565 3.516 -9.774 -4.03 2 175 373 1116 2014 Inactive Inactive 15633 1SRA PRO 225 T -4.548 3.606 -9.791 -4.032 2 137 418 1008 1576 Inactive Inactive 15634 1SRA ILE 226 T -4.547 3.617 -9.792 -4.033 2 115 339 885 1168 Inactive Inactive 15635 1SRA ASP 227 C -4.566 3.605 -9.732 -4.032 2 77 321 757 812 Inactive Inactive 15636 1SRA GLY 228 C -4.771 3.699 -9.562 -4.06 2 48 300 627 524 Inactive Inactive 15637 1SRA TYR 229 E -6.617 6.833 -10.388 -4.122 2 44 433 527 291 Inactive Inactive 15638 1SRA LEU 230 E -8.359 10.863 -11.027 -4.547 5 50 491 454 155 Inactive Inactive 15639 1SRA SER 231 C -10.219 11.504 -14.704 -5.038 6 77 672 427 87 Gatekeeper Inactive 15640 1SRA HIS 232 G -10.279 11.095 -14.965 -5.022 6 167 1685 419 56 Gatekeeper Inactive 15641 1SRA THR 233 G -9.563 10.09 -13.724 -4.64 5 210 2566 430 43 Gatekeeper Inactive 15642 1SRA GLU 234 G -9.601 9.923 -13.737 -4.624 5 230 3329 472 35 Gatekeeper Inactive 15643 1SRA LEU 235 G -9.598 10.17 -13.58 -4.599 5 297 4170 503 59 Gatekeeper Inactive 15644 1SRA ALA 236 G -9.348 10.774 -12.839 -4.428 5 391 4946 556 120 Gatekeeper Inactive 15645 1SRA PRO 237 G -9.197 11.12 -12.553 -4.369 5 425 5385 618 263 Gatekeeper Inactive 15646 1SRA LEU 238 G -8.756 10.159 -12.042 -4.235 5 427 5380 687 507 Gatekeeper Inactive 15647 1SRA ARG 239 C -7.683 8.596 -10.943 -3.989 5 442 5455 780 878 Gatekeeper Inactive 15648 1SRA ALA 240 T -5.313 7.827 -6.961 -3.239 1 523 5690 889 1410 Gatekeeper Inactive 15649 1SRA PRO 241 T -5.253 8.121 -7.062 -3.316 1 724 6108 993 2051 Gatekeeper Inactive 15650 1SRA LEU 242 T -5.253 8.122 -7.063 -3.316 1 810 5970 1101 2735 Gatekeeper Inactive 15651 1SRA ILE 243 T -5.254 8.12 -7.054 -3.315 1 849 5928 1222 3435 Selective Gatekeeper 15652 1SRA PRO 244 T -5.262 8.118 -7.002 -3.306 1 881 5809 1335 4165 Selective Gatekeeper 15653 1SRA MET 245 T -6.629 10.872 -8.041 -4.037 4 1021 4885 1459 4920 Selective Selective 15654 1SRA GLU 246 G -9.528 13.016 -12.094 -4.796 7 1057 4046 1589 5764 Selective Selective 15655 1SRA HIS 247 G -10.598 13.12 -15.166 -5.706 8 1113 3320 1702 6608 Selective Selective 15656 1SRA CYS 248 G -10.745 12.688 -15.621 -5.857 8 1185 2575 1801 7335 Selective Selective 15657 1SRA THR 249 H -11.074 12.646 -16.029 -5.983 8 1288 1869 1884 7927 Selective Selective 15658 1SRA THR 250 H -11.338 12.252 -16.025 -5.814 8 1555 1560 1940 8297 Selective Selective 15659 1SRA ARG 251 H -12.546 14.665 -16.801 -5.69 8 1865 1700 1971 8452 Selective Selective 15660 1SRA PHE 252 H -12.331 16.336 -15.426 -5.619 8 2113 1760 1963 8327 Selective Selective 15661 1SRA PHE 253 H -11.642 14.018 -15.463 -5.659 8 2118 1537 1949 7969 Selective Selective 15662 1SRA GLU 254 H -9.024 6.879 -14.71 -5.165 6 2081 1133 1925 7448 Selective Selective 15663 1SRA THR 255 H -8.891 6.729 -14.995 -5.171 6 2036 1032 1912 6899 Selective Selective 15664 1SRA CYS 256 H -8.6 5.763 -15.429 -5.138 6 2062 1000 1881 6359 Selective Selective 15665 1SRA ASP 257 T -7.992 4.392 -15.145 -4.968 6 2047 913 1864 5889 Selective Selective 15666 1SRA LEU 258 T -6.256 2.366 -12.705 -4.427 3 1833 811 1833 5428 Selective Selective 15667 1SRA ASP 259 T -6.149 2.852 -12.709 -4.515 3 1800 788 1791 4888 Selective Selective 15668 1SRA ASN 260 T -6.141 2.942 -12.698 -4.518 3 1756 771 1729 4345 Selective Selective 15669 1SRA ASP 261 C -6.144 2.94 -12.677 -4.514 3 1622 690 1656 3874 Selective Selective 15670 1SRA LYS 262 C -6.161 2.921 -12.61 -4.504 3 1430 629 1585 3461 Selective Selective 15671 1SRA TYR 263 C -7.134 5.716 -12.787 -4.949 3 1133 537 1529 3164 Permissive Selective 15672 1SRA ILE 264 E -8.587 9.444 -12.471 -4.795 5 808 301 1478 2946 Inactive Permissive 15673 1SRA ALA 265 E -10.252 12.789 -13.299 -4.747 7 545 164 1460 2912 Inactive Permissive 15674 1SRA LEU 266 H -10.97 16.021 -12.765 -4.809 7 459 150 1449 2932 Inactive Permissive 15675 1SRA ASP 267 H -11.045 15.925 -12.937 -4.894 7 296 139 1451 2966 Inactive Permissive 15676 1SRA GLU 268 H -11.405 14.708 -13.924 -4.934 7 235 137 1457 2952 Inactive Permissive 15677 1SRA TRP 269 H -11.768 16.254 -14.242 -5.237 8 165 134 1463 2873 Inactive Permissive 15678 1SRA ALA 270 H -9.301 11.315 -12.511 -4.99 7 126 136 1446 2641 Inactive Permissive 15679 1SRA GLY 271 H -8.934 12.369 -12.055 -5.046 7 121 139 1424 2374 Inactive Permissive 15680 1SRA CYS 272 H -8.927 12.416 -12.067 -5.051 7 84 115 1389 2087 Inactive Inactive 15681 1SRA PHE 273 H -8.682 13.257 -11.544 -5.017 7 65 95 1356 1792 Inactive Inactive 15682 1SRA GLY 274 C -5.58 7.956 -8.792 -4.483 2 - - - - - - 15683 1SRA ILE 275 C -5.411 8.19 -8.882 -4.496 2 - - - - - - 15684 1SRA LYS 276 C -4.589 7.807 -8.062 -4.449 2 - - - - - - 15685 1SRA GLN 277 G -4.506 7.828 -8.196 -4.47 2 - - - - - - 15686 1SRA LYS 278 G -4.505 7.83 -8.204 -4.471 2 - - - - - - 15687 1SRA ASP 279 G -4.609 7.81 -8.091 -4.468 2 - - - - - - 15688 1SRA ILE 280 C -4.649 7.736 -8.018 -4.463 2 - - - - - - 15689 1SRA ASP 281 C -5.692 8.034 -9.169 -4.615 2 - - - - - - 15690 1SRA LYS 282 G -7.44 9.922 -11.326 -4.698 5 - - - - - - 15691 1SRA ASP 283 G -7.215 9.369 -10.128 -3.851 4 - - - - - - 15692 1SRA LEU 284 G -7.215 9.369 -10.128 -3.851 4 - - - - - - 15693 1SRA VAL 285 C -7.215 9.369 -10.128 -3.851 4 - - - - - - 15694 1SRA ILE 286 C -7.215 9.369 -10.128 -3.851 4 - - - - - - 15695 1TEN ARG 802 C -10.348 10.461 -13.666 -4.389 7 - - - - - - 15696 1TEN LEU 803 C -10.348 10.461 -13.666 -4.389 7 - - - - - - 15697 1TEN ASP 804 C -10.348 10.461 -13.666 -4.389 7 - - - - - - 15698 1TEN ALA 805 C -10.348 10.461 -13.666 -4.389 7 - - - - - - 15699 1TEN PRO 806 E -10.251 13.551 -12.143 -4.584 7 - - - - - - 15700 1TEN SER 807 E -10.282 13.534 -12.015 -4.565 7 - - - - - - 15701 1TEN GLN 808 E -9.957 13.536 -12.366 -4.768 7 - - - - - - 15702 1TEN ILE 809 E -9.574 13.393 -12.385 -4.888 7 - - - - - - 15703 1TEN GLU 810 E -8.384 11.282 -11.272 -4.658 5 - - - - - - 15704 1TEN VAL 811 E -8.16 10.916 -11.295 -4.536 5 - - - - - - 15705 1TEN LYS 812 E -7.901 9.852 -11.779 -4.54 5 - - - - - - 15706 1TEN ASP 813 E -7.476 8.939 -11.489 -4.347 5 - - - - - - 15707 1TEN VAL 814 E -6.965 8.671 -10.552 -4.06 4 773 316 664 611 Permissive Inactive 15708 1TEN THR 815 T -6.961 8.498 -10.582 -4.01 4 960 473 673 577 Permissive Inactive 15709 1TEN ASP 816 T -6.988 8.409 -10.545 -3.997 4 1172 694 687 538 Permissive Inactive 15710 1TEN THR 817 E -7.035 8.452 -10.372 -3.952 4 1314 822 693 490 Permissive Inactive 15711 1TEN THR 818 E -7.203 8.555 -10.09 -3.878 4 1461 971 705 443 Permissive Inactive 15712 1TEN ALA 819 E -8.418 8.771 -11.432 -3.99 5 1582 1119 716 399 Selective Inactive 15713 1TEN LEU 820 E -11.408 13.839 -14.582 -4.809 7 1764 1473 737 388 Selective Inactive 15714 1TEN ILE 821 E -11.841 14.476 -13.939 -4.484 7 1844 1732 754 381 Selective Inactive 15715 1TEN THR 822 E -12.664 14.835 -14.732 -4.682 7 1846 1832 772 382 Selective Inactive 15716 1TEN TRP 823 E -12.948 15.514 -15.145 -4.957 8 1894 1960 804 392 Selective Inactive 15717 1TEN PHE 824 C -9.955 10.52 -13.056 -4.455 5 1847 1958 831 366 Selective Inactive 15718 1TEN LYS 825 C -9.124 9.311 -12.982 -4.421 5 1507 1931 855 391 Selective Inactive 15719 1TEN PRO 826 C -8.433 10.349 -11.598 -4.326 5 1317 1908 888 423 Selective Inactive 15720 1TEN LEU 827 C -8.294 10.055 -11.904 -4.377 5 1172 1779 909 451 Selective Inactive 15721 1TEN ALA 828 C -8.259 10.013 -12.04 -4.411 5 982 1622 959 545 Selective Inactive 15722 1TEN GLU 829 C -8.275 10.035 -12.026 -4.423 5 767 1398 1043 702 Selective Permissive 15723 1TEN ILE 830 C -8.391 10.29 -11.829 -4.428 5 623 1269 1125 935 Selective Permissive 15724 1TEN ASP 831 E -8.997 9.364 -13.368 -4.69 5 478 1164 1223 1243 Gatekeeper Selective 15725 1TEN GLY 832 E -9.667 10.363 -14.019 -4.952 6 382 1339 1326 1648 Gatekeeper Selective 15726 1TEN ILE 833 E -10.259 12.067 -13.625 -4.953 7 242 1277 1418 2041 Gatekeeper Selective 15727 1TEN GLU 834 E -11.493 15.286 -14.701 -5.474 8 175 1166 1505 2317 Gatekeeper Selective 15728 1TEN LEU 835 E -11.73 16.578 -14.41 -5.526 8 168 1265 1582 2488 Gatekeeper Selective 15729 1TEN THR 836 E -11.915 17.257 -14.25 -5.608 8 122 1313 1643 2574 Gatekeeper Selective 15730 1TEN TYR 837 E -12.298 17.756 -15.01 -5.821 8 136 1506 1683 2607 Gatekeeper Selective 15731 1TEN GLY 838 E -8.796 8.482 -13.349 -5 5 152 1780 1676 2554 Gatekeeper Selective 15732 1TEN ILE 839 T -7.967 7.513 -12.783 -4.672 5 172 1850 1662 2494 Gatekeeper Selective 15733 1TEN LYS 840 T -6.146 5.151 -11.466 -4.733 3 192 1955 1647 2447 Gatekeeper Selective 15734 1TEN ASP 841 T -5.462 4.596 -10.953 -4.507 3 204 1976 1621 2349 Gatekeeper Selective 15735 1TEN VAL 842 T -5.457 4.609 -10.974 -4.506 3 232 2013 1568 2199 Gatekeeper Selective 15736 1TEN PRO 843 T -5.457 4.604 -10.974 -4.505 3 278 2041 1510 1984 Gatekeeper Selective 15737 1TEN GLY 844 T -5.463 4.578 -10.959 -4.505 3 329 1999 1415 1705 Gatekeeper Selective 15738 1TEN ASP 845 C -5.675 4.38 -10.767 -4.405 3 353 1676 1324 1333 Gatekeeper Selective 15739 1TEN ARG 846 E -7.991 6.463 -13.353 -4.529 5 389 1384 1237 959 Gatekeeper Permissive 15740 1TEN THR 847 E -8.005 11.254 -11.031 -4.664 4 466 1236 1160 714 Gatekeeper Permissive 15741 1TEN THR 848 E -7.931 12.295 -10.398 -4.645 4 523 1037 1091 568 Selective Permissive 15742 1TEN ILE 849 E -7.954 12.403 -10.222 -4.612 4 548 866 1039 503 Permissive Permissive 15743 1TEN ASP 850 E -7.953 12.397 -10.234 -4.613 4 577 650 984 483 Permissive Inactive 15744 1TEN LEU 851 E -7.963 12.409 -10.172 -4.602 4 571 307 961 504 Permissive Inactive 15745 1TEN THR 852 T -8.587 11.928 -10.934 -4.665 5 594 221 935 512 Permissive Inactive 15746 1TEN GLU 853 T -10.559 8.382 -17.061 -5.341 6 671 238 917 524 Permissive Inactive 15747 1TEN ASP 854 T -10.56 8.374 -17.092 -5.363 6 713 357 881 548 Permissive Inactive 15748 1TEN GLU 855 C -10.647 8.354 -17.141 -5.376 6 729 461 834 565 Permissive Inactive 15749 1TEN ASN 856 E -10.59 10.763 -15.665 -5.283 6 719 533 792 577 Permissive Inactive 15750 1TEN GLN 857 E -9.574 14.764 -11.337 -5.02 7 721 593 771 609 Permissive Inactive 15751 1TEN TYR 858 E -7.254 12.891 -8.496 -4.55 4 723 646 749 669 Permissive Inactive 15752 1TEN SER 859 E -6.391 12.182 -7.812 -4.315 4 659 678 737 770 Permissive Inactive 15753 1TEN ILE 860 C -6.25 12.335 -7.941 -4.384 4 583 701 739 877 Permissive Inactive 15754 1TEN GLY 861 C -5.804 11.325 -8.154 -4.475 4 535 738 730 1070 Permissive Gatekeeper 15755 1TEN ASN 862 C -5.805 11.32 -8.149 -4.474 4 515 746 736 1314 Inactive Gatekeeper 15756 1TEN LEU 863 T -5.814 11.215 -8.192 -4.468 4 474 746 768 1661 Inactive Gatekeeper 15757 1TEN LYS 864 T -5.752 10.479 -8.784 -4.687 4 470 755 820 2063 Inactive Gatekeeper 15758 1TEN PRO 865 T -5.809 10.239 -8.822 -4.693 4 448 766 884 2523 Inactive Gatekeeper 15759 1TEN ASP 866 T -6.26 10.024 -9.368 -4.848 4 363 643 976 3042 Inactive Gatekeeper 15760 1TEN THR 867 E -6.26 10.024 -9.368 -4.848 4 324 503 1079 3614 Inactive Selective 15761 1TEN GLU 868 E -6.357 9.723 -9.415 -4.915 4 304 363 1198 4148 Inactive Selective 15762 1TEN TYR 869 E -10.138 15.463 -12.068 -5.504 7 294 269 1327 4666 Inactive Selective 15763 1TEN GLU 870 E -13.409 16.826 -16.995 -6.111 8 266 203 1429 5098 Inactive Selective 15764 1TEN VAL 871 E -12.775 15.545 -14.713 -4.737 8 305 184 1546 5390 Inactive Selective 15765 1TEN SER 872 E -12.772 15.529 -14.733 -4.735 8 324 269 1639 5513 Inactive Selective 15766 1TEN LEU 873 E -12.772 15.527 -14.73 -4.734 8 379 461 1682 5517 Inactive Selective 15767 1TEN ILE 874 E -12.77 15.512 -14.755 -4.739 8 402 618 1714 5367 Inactive Selective 15768 1TEN SER 875 E -12.781 14.761 -15.26 -4.826 8 458 860 1704 5129 Inactive Selective 15769 1TEN ARG 876 E -10.998 8.018 -16.873 -5.348 6 500 1059 1654 4768 Gatekeeper Selective 15770 1TEN ARG 877 T -8.931 6.886 -14.576 -5.115 6 - - - - - - 15771 1TEN GLY 878 T -8.207 6.632 -14.237 -5.17 6 - - - - - - 15772 1TEN ASP 879 E -7.47 7.766 -12.501 -4.94 3 - - - - - - 15773 1TEN MET 880 E -7.277 8.413 -12.12 -4.882 5 - - - - - - 15774 1TEN SER 881 C -7.067 8.745 -11.619 -4.687 5 - - - - - - 15775 1TEN SER 882 C -6.576 9.405 -10.41 -4.625 4 - - - - - - 15776 1TEN ASN 883 C -6.603 9.541 -10.236 -4.598 4 - - - - - - 15777 1TEN PRO 884 E -6.71 9.801 -9.928 -4.549 4 - - - - - - 15778 1TEN ALA 885 E -6.777 9.766 -9.785 -4.528 4 - - - - - - 15779 1TEN LYS 886 E -6.897 9.825 -9.632 -4.594 4 - - - - - - 15780 1TEN GLU 887 E -6.897 9.825 -9.632 -4.594 4 - - - - - - 15781 1TEN THR 888 E -6.897 9.825 -9.632 -4.594 4 - - - - - - 15782 1TEN PHE 889 E -6.897 9.825 -9.632 -4.594 4 - - - - - - 15783 1TN3 ALA 45 C -4.051 5.979 -7.022 -3.629 1 - - - - - - 15784 1TN3 LEU 46 C -4.051 5.979 -7.022 -3.629 1 - - - - - - 15785 1TN3 GLN 47 C -4.051 5.979 -7.022 -3.629 1 - - - - - - 15786 1TN3 THR 48 C -4.051 5.979 -7.022 -3.629 1 - - - - - - 15787 1TN3 VAL 49 E -5.382 8.014 -8.968 -4.48 2 - - - - - - 15788 1TN3 CYS 50 E -6.062 8.681 -10.435 -5.223 3 - - - - - - 15789 1TN3 LEU 51 E -6.933 8.143 -11.934 -4.988 3 - - - - - - 15790 1TN3 LYS 52 E -5.93 6.181 -11.028 -4.815 3 - - - - - - 15791 1TN3 GLY 53 T -5.828 6.196 -11.184 -4.842 3 - - - - - - 15792 1TN3 THR 54 T -5.829 6.208 -11.188 -4.853 3 - - - - - - 15793 1TN3 LYS 55 T -5.883 6.072 -11.146 -4.848 3 - - - - - - 15794 1TN3 VAL 56 T -5.9 6.034 -11.096 -4.842 3 - - - - - - 15795 1TN3 HIS 57 T -6.826 6.722 -12.003 -4.997 3 1058 110 1547 2987 Inactive Selective 15796 1TN3 MET 58 E -7.976 9.267 -11.862 -5.017 5 1133 123 1602 3170 Inactive Selective 15797 1TN3 LYS 59 E -10.978 12.256 -15.503 -5.786 8 1187 133 1664 3417 Inactive Selective 15798 1TN3 CYS 60 E -12.122 13.207 -16.376 -5.759 8 1247 144 1705 3572 Permissive Selective 15799 1TN3 PHE 61 E -12.201 19.43 -12.115 -4.902 7 1296 143 1728 3587 Permissive Selective 15800 1TN3 LEU 62 E -11.005 13.828 -13.318 -4.762 7 1287 135 1729 3538 Permissive Selective 15801 1TN3 ALA 63 E -8.63 12.918 -10.632 -4.858 7 1248 122 1699 3405 Permissive Selective 15802 1TN3 PHE 64 E -8.401 13.122 -10.943 -5.062 7 1194 115 1684 3213 Inactive Selective 15803 1TN3 THR 65 E -7.711 11.503 -11.411 -5.376 3 984 67 1653 2979 Inactive Selective 15804 1TN3 GLN 66 E -7.711 11.5 -11.412 -5.377 3 816 49 1605 2700 Inactive Selective 15805 1TN3 THR 67 E -7.713 11.498 -11.408 -5.379 3 726 48 1517 2372 Inactive Selective 15806 1TN3 LYS 68 E -7.851 11.128 -11.628 -5.516 5 675 47 1419 2038 Inactive Selective 15807 1TN3 THR 69 C -7.925 10.809 -11.651 -5.518 5 578 47 1321 1817 Inactive Selective 15808 1TN3 PHE 70 H -10.487 13.762 -13.866 -5.521 8 472 124 1263 1677 Inactive Gatekeeper 15809 1TN3 HIS 71 H -9.632 10.062 -14.233 -5.159 6 458 143 1196 1462 Inactive Gatekeeper 15810 1TN3 GLU 72 H -9.614 9.961 -14.332 -5.162 6 426 182 1112 1187 Inactive Gatekeeper 15811 1TN3 ALA 73 H -9.608 9.912 -14.383 -5.163 6 390 213 1025 958 Inactive Inactive 15812 1TN3 SER 74 H -9.712 8.965 -14.737 -5.111 6 370 273 942 795 Inactive Inactive 15813 1TN3 GLU 75 H -9.609 8.251 -15.137 -5.038 6 435 540 869 666 Inactive Inactive 15814 1TN3 ASP 76 H -10.259 6.091 -17.279 -4.865 6 455 732 811 557 Inactive Inactive 15815 1TN3 CYS 77 H -8.478 4.334 -14.278 -4.265 5 470 911 748 457 Inactive Inactive 15816 1TN3 ILE 78 H -5.452 4.426 -9.986 -4.098 2 473 1319 720 403 Gatekeeper Inactive 15817 1TN3 SER 79 H -5.427 4.466 -10.087 -4.118 2 534 1786 702 362 Gatekeeper Inactive 15818 1TN3 ARG 80 H -5.42 4.527 -10.103 -4.127 2 616 2230 698 337 Gatekeeper Inactive 15819 1TN3 GLY 81 C -5.416 4.558 -10.12 -4.134 2 841 2875 696 334 Gatekeeper Inactive 15820 1TN3 GLY 82 C -5.419 4.561 -10.099 -4.134 2 991 3346 708 329 Gatekeeper Inactive 15821 1TN3 THR 83 E -7.098 6.702 -12.315 -4.718 3 1014 3551 720 374 Gatekeeper Inactive 15822 1TN3 LEU 84 E -7.777 9.505 -12 -5.019 5 1072 3732 791 497 Gatekeeper Inactive 15823 1TN3 SER 85 C -8.341 9.115 -12.708 -5.158 5 1237 3982 892 752 Selective Inactive 15824 1TN3 THR 86 C -9.195 11.573 -13.257 -5.501 6 1371 4165 1002 1201 Selective Gatekeeper 15825 1TN3 PRO 87 C -8.828 10.747 -13.024 -5.206 6 1653 4540 1136 1753 Selective Gatekeeper 15826 1TN3 GLN 88 C -8.798 10.558 -13.215 -5.23 6 1965 4530 1272 2417 Selective Gatekeeper 15827 1TN3 THR 89 C -8.792 10.511 -13.267 -5.232 6 2385 4671 1410 3091 Selective Selective 15828 1TN3 GLY 90 H -8.797 10.436 -13.285 -5.226 6 2858 4802 1551 3772 Selective Selective 15829 1TN3 SER 91 H -9.128 9.721 -13.477 -5.017 6 3222 4485 1664 4341 Selective Selective 15830 1TN3 GLU 92 H -10.286 7.865 -16.928 -5.565 6 3375 4060 1784 4952 Selective Selective 15831 1TN3 ASN 93 H -11.005 7.192 -18.071 -5.42 6 3481 3724 1887 5583 Selective Selective 15832 1TN3 ASP 94 H -11.232 8.851 -17.354 -5.278 6 3440 3187 1991 6246 Selective Selective 15833 1TN3 ALA 95 H -11.731 12.603 -15.555 -5.054 8 3575 2876 2086 6879 Selective Selective 15834 1TN3 LEU 96 H -11.822 13.417 -14.969 -5.045 8 3830 2777 2166 7335 Selective Selective 15835 1TN3 TYR 97 H -11.872 13.515 -14.739 -5.015 8 4058 2693 2189 7592 Selective Selective 15836 1TN3 GLU 98 H -11.893 13.495 -14.652 -5.007 8 3975 2419 2212 7671 Selective Selective 15837 1TN3 TYR 99 H -15.281 17.752 -18.64 -5.712 8 4002 2319 2226 7512 Selective Selective 15838 1TN3 LEU 100 H -13.424 13.868 -16.711 -5.157 8 3832 1947 2204 7160 Selective Selective 15839 1TN3 ARG 101 H -11.164 9.973 -15.975 -5.273 6 3490 1746 2160 6644 Selective Selective 15840 1TN3 GLN 102 H -9.344 8.543 -14.457 -5.279 6 3079 1475 2118 6219 Selective Selective 15841 1TN3 SER 103 H -8.111 8.382 -12.759 -4.996 5 2615 1201 2108 5793 Permissive Selective 15842 1TN3 VAL 104 H -6.717 7.371 -10.711 -4.423 3 2240 1157 2118 5551 Permissive Selective 15843 1TN3 GLY 105 T -6.699 7.366 -10.813 -4.445 3 2059 1157 2135 5292 Permissive Selective 15844 1TN3 ASN 106 T -6.698 7.376 -10.818 -4.446 3 1871 1051 2174 4956 Permissive Selective 15845 1TN3 GLU 107 T -6.704 7.365 -10.779 -4.437 3 1659 942 2182 4507 Permissive Selective 15846 1TN3 ALA 108 T -6.755 7.277 -10.625 -4.391 3 1367 779 2182 4030 Permissive Selective 15847 1TN3 GLU 109 E -8.725 7.606 -14.095 -5.155 6 1040 609 2132 3638 Inactive Selective 15848 1TN3 ILE 110 E -10.097 11.768 -13.416 -4.94 7 732 568 2113 3359 Inactive Selective 15849 1TN3 TRP 111 E -11.574 19.091 -12.008 -4.896 7 638 581 2069 3117 Inactive Selective 15850 1TN3 LEU 112 E -11.581 18.359 -12.524 -4.992 7 458 484 2013 2912 Inactive Selective 15851 1TN3 GLY 113 E -11.479 17.215 -13.413 -5.182 7 319 431 1954 2780 Inactive Selective 15852 1TN3 LEU 114 E -10.864 13.442 -14.452 -5.269 8 277 376 1899 2699 Inactive Selective 15853 1TN3 ASN 115 E -9.166 7.666 -14.498 -5.112 6 243 315 1826 2478 Inactive Selective 15854 1TN3 ASP 116 E -8.438 7.746 -14.009 -5.23 6 216 280 1710 2242 Inactive Selective 15855 1TN3 MET 117 E -5.985 6.416 -10.892 -5.059 3 184 238 1568 1921 Inactive Selective 15856 1TN3 ALA 118 E -4.752 5.329 -9.52 -4.599 2 141 201 1414 1570 Inactive Selective 15857 1TN3 ALA 119 E -4.749 5.357 -9.525 -4.602 2 130 198 1257 1258 Inactive Gatekeeper 15858 1TN3 GLU 120 T -4.75 5.359 -9.523 -4.602 2 128 200 1127 1019 Inactive Gatekeeper 15859 1TN3 GLY 121 T -4.75 5.356 -9.517 -4.601 2 130 208 1017 827 Inactive Inactive 15860 1TN3 THR 122 E -4.828 5.21 -9.332 -4.537 2 110 191 969 675 Inactive Inactive 15861 1TN3 TRP 123 E -7.915 11.841 -10.917 -5.255 4 80 104 922 573 Inactive Inactive 15862 1TN3 VAL 124 E -8.233 7.028 -13.587 -4.966 3 71 67 875 505 Inactive Inactive 15863 1TN3 ASP 125 T -6.723 5.056 -12.522 -4.938 3 83 39 843 440 Inactive Inactive 15864 1TN3 MET 126 T -5.924 5.403 -11.049 -4.508 3 81 30 839 389 Inactive Inactive 15865 1TN3 THR 127 T -5.569 6.072 -10.068 -4.136 2 96 29 851 330 Inactive Inactive 15866 1TN3 GLY 128 T -5.092 6.351 -8.993 -3.821 2 97 30 894 319 Inactive Inactive 15867 1TN3 ALA 129 C -5.093 6.362 -8.975 -3.816 2 93 29 935 310 Inactive Inactive 15868 1TN3 ARG 130 B -5.125 6.496 -8.759 -3.749 2 88 24 989 304 Inactive Inactive 15869 1TN3 ILE 131 C -5.25 6.74 -8.345 -3.607 2 90 17 1028 305 Inactive Inactive 15870 1TN3 ALA 132 C -5.43 6.687 -8.157 -3.581 2 96 17 1069 316 Inactive Inactive 15871 1TN3 TYR 133 C -7.766 12.36 -9.75 -4.334 4 99 28 1106 340 Inactive Inactive 15872 1TN3 LYS 134 C -7.886 12.622 -9.628 -4.45 4 124 97 1127 362 Inactive Inactive 15873 1TN3 ASN 135 C -8.792 12.046 -11.598 -5.076 7 226 556 1128 374 Inactive Inactive 15874 1TN3 TRP 136 B -7.127 11.036 -9.572 -4.832 4 406 1052 1102 366 Inactive Inactive 15875 1TN3 GLU 137 T -4.636 4.988 -8.983 -4.351 2 539 1508 1090 347 Gatekeeper Inactive 15876 1TN3 THR 138 T -3.488 3.372 -8.078 -3.921 2 711 1984 1068 345 Gatekeeper Inactive 15877 1TN3 GLU 139 T -3.487 3.374 -8.082 -3.921 2 1026 2626 1047 354 Gatekeeper Inactive 15878 1TN3 ILE 140 T -3.487 3.374 -8.083 -3.921 2 1558 3539 1028 373 Selective Inactive 15879 1TN3 THR 141 T -3.488 3.358 -8.08 -3.919 2 1991 4359 1010 432 Selective Inactive 15880 1TN3 ALA 142 T -3.579 3.099 -7.925 -3.846 2 2368 5095 1007 556 Selective Inactive 15881 1TN3 GLN 143 T -7.557 5.697 -13.599 -4.832 3 2805 5732 1025 662 Selective Inactive 15882 1TN3 PRO 144 T -6.481 4.429 -12.22 -4.711 3 3240 6422 1066 776 Selective Inactive 15883 1TN3 ASP 145 T -5.109 2.477 -11.715 -4.824 3 3595 6727 1104 855 Selective Inactive 15884 1TN3 GLY 146 C -4.656 3.242 -11.191 -4.881 3 3868 7012 1156 896 Selective Inactive 15885 1TN3 GLY 147 G -4.649 3.264 -11.21 -4.883 3 3995 7146 1215 936 Selective Inactive 15886 1TN3 LYS 148 G -4.649 3.268 -11.214 -4.884 3 3978 6780 1273 985 Selective Inactive 15887 1TN3 THR 149 G -4.675 3.221 -11.171 -4.892 3 3896 6596 1338 1010 Selective Permissive 15888 1TN3 GLU 150 C -5.012 3.946 -10.792 -4.934 3 3896 6498 1378 1030 Selective Selective 15889 1TN3 ASN 151 C -7.267 5.642 -13.344 -5.192 3 3754 6304 1458 1051 Selective Selective 15890 1TN3 CYS 152 E -8.511 6.61 -14.332 -5.27 6 3564 6078 1523 1103 Selective Selective 15891 1TN3 ALA 153 E -10.173 13.08 -12.594 -4.45 7 3134 5560 1585 1143 Selective Selective 15892 1TN3 VAL 154 E -9.995 13.036 -12.462 -4.388 7 2790 4995 1598 1121 Selective Selective 15893 1TN3 LEU 155 E -9.402 11.44 -12.497 -4.394 5 2501 4499 1578 1016 Selective Permissive 15894 1TN3 SER 156 E -6.574 6.564 -10.736 -4.434 3 2227 4232 1552 934 Selective Permissive 15895 1TN3 GLY 157 T -4.617 5.54 -8.88 -4.468 2 1988 3922 1515 822 Selective Permissive 15896 1TN3 ALA 158 T -4.595 5.583 -8.957 -4.477 2 1783 3780 1460 740 Selective Permissive 15897 1TN3 ALA 159 T -4.595 5.584 -8.957 -4.477 2 1697 3680 1389 674 Selective Permissive 15898 1TN3 ASN 160 T -4.595 5.583 -8.957 -4.477 2 1704 3594 1327 604 Selective Permissive 15899 1TN3 GLY 161 T -4.616 5.548 -8.892 -4.478 2 1692 3684 1280 536 Selective Permissive 15900 1TN3 LYS 162 E -6.545 6.738 -10.951 -4.713 3 1717 3550 1253 506 Selective Inactive 15901 1TN3 TRP 163 E -10.194 12.068 -13.477 -5.177 7 1812 3553 1259 513 Selective Inactive 15902 1TN3 PHE 164 E -12.688 16.082 -15.464 -5.775 8 1819 3402 1237 529 Selective Inactive 15903 1TN3 ASP 165 E -11.843 8.713 -17.227 -5.071 6 1776 3100 1197 460 Selective Inactive 15904 1TN3 LYS 166 E -9.196 7.699 -13.955 -4.77 6 1748 2900 1167 420 Selective Inactive 15905 1TN3 ARG 167 T -8.053 7.171 -12.937 -4.691 5 1694 2801 1144 394 Selective Inactive 15906 1TN3 CYS 168 T -7.942 7.609 -12.971 -4.777 5 0 0 0 0 Inactive Inactive 15907 1TN3 ARG 169 T -7.897 7.924 -12.887 -4.767 5 - - - - - - 15908 1TN3 ASP 170 T -7.897 7.924 -12.882 -4.766 5 - - - - - - 15909 1TN3 GLN 171 C -7.966 7.96 -12.752 -4.766 5 - - - - - - 15910 1TN3 LEU 172 E -8.76 10.44 -12.722 -5.017 5 - - - - - - 15911 1TN3 PRO 173 E -9.441 11.995 -11.834 -4.631 7 - - - - - - 15912 1TN3 TYR 174 E -12.155 18.642 -12.924 -4.952 7 - - - - - - 15913 1TN3 ILE 175 E -12.13 18.523 -13.472 -5.336 8 - - - - - - 15914 1TN3 CYS 176 E -10.792 12.134 -15.598 -6.181 8 - - - - - - 15915 1TN3 GLN 177 E -8.308 10.826 -11.564 -5.069 5 - - - - - - 15916 1TN3 PHE 178 E -4.856 7.885 -6.436 -3.363 1 - - - - - - 15917 1TN3 GLY 179 E -4.856 7.885 -6.436 -3.363 1 - - - - - - 15918 1TN3 ILE 180 C -4.856 7.885 -6.436 -3.363 1 - - - - - - 15919 1TN3 VAL 181 C -4.856 7.885 -6.436 -3.363 1 - - - - - - 15920 1ZON GLY 128 C -9.078 7.854 -13.426 -4.525 5 - - - - - - 15921 1ZON ASN 129 C -9.078 7.854 -13.426 -4.525 5 - - - - - - 15922 1ZON VAL 130 E -9.078 7.854 -13.426 -4.525 5 - - - - - - 15923 1ZON ASP 131 E -9.078 7.854 -13.426 -4.525 5 - - - - - - 15924 1ZON LEU 132 E -11.873 13.017 -15.643 -5.398 8 - - - - - - 15925 1ZON VAL 133 E -13.301 19.332 -14.542 -5.311 8 - - - - - - 15926 1ZON PHE 134 E -13.211 21.45 -12.917 -5.04 7 - - - - - - 15927 1ZON LEU 135 E -12.481 17.27 -14.545 -5.355 8 - - - - - - 15928 1ZON PHE 136 E -11.988 15.075 -15.304 -5.426 8 - - - - - - 15929 1ZON ASP 137 E -11.132 8.918 -16.935 -5.218 6 - - - - - - 15930 1ZON GLY 138 C -9.83 8.596 -14.791 -4.912 6 - - - - - - 15931 1ZON SER 139 B -9.514 9.009 -14.561 -4.928 6 - - - - - - 15932 1ZON MET 140 T -8.575 8.101 -13.134 -4.525 5 1179 788 1142 1085 Selective Permissive 15933 1ZON SER 141 T -8.196 7.552 -13.237 -4.547 5 968 648 1122 1098 Selective Permissive 15934 1ZON LEU 142 T -7.711 8.083 -12.514 -4.638 5 767 602 1124 1215 Selective Permissive 15935 1ZON GLN 143 C -7.681 8.28 -12.458 -4.649 5 597 572 1133 1469 Selective Selective 15936 1ZON PRO 144 H -7.692 8.259 -12.428 -4.644 5 454 541 1155 1824 Gatekeeper Selective 15937 1ZON ASP 145 H -7.809 8.343 -12.353 -4.692 5 267 340 1174 2273 Inactive Selective 15938 1ZON GLU 146 H -7.976 8.797 -12.025 -4.731 5 169 232 1196 2854 Inactive Selective 15939 1ZON PHE 147 H -9.226 10.976 -12.451 -4.875 5 111 139 1248 3652 Inactive Selective 15940 1ZON GLN 148 H -11.555 12.113 -15.845 -5.362 8 97 116 1322 4476 Inactive Selective 15941 1ZON LYS 149 H -12.596 13.938 -16.734 -5.637 8 87 101 1393 5095 Inactive Selective 15942 1ZON ILE 150 H -12.539 15.432 -15.753 -5.506 8 85 87 1443 5523 Inactive Selective 15943 1ZON LEU 151 H -12.535 15.464 -15.758 -5.51 8 85 78 1459 5798 Inactive Selective 15944 1ZON ASP 152 H -12.5 15.565 -15.848 -5.59 8 82 75 1456 5936 Inactive Selective 15945 1ZON PHE 153 H -13.014 19.187 -14.877 -5.7 8 85 75 1460 5976 Inactive Selective 15946 1ZON MET 154 H -12.887 18.783 -15.159 -5.78 8 89 66 1454 5879 Inactive Selective 15947 1ZON LYS 155 H -12.678 16.071 -16.335 -5.916 8 100 47 1442 5666 Inactive Selective 15948 1ZON ASP 156 H -10.579 12.353 -13.85 -5.129 7 146 28 1412 5299 Inactive Selective 15949 1ZON VAL 157 H -10.302 12.892 -13.591 -5.077 7 168 2 1366 4835 Inactive Selective 15950 1ZON MET 158 H -10.219 12.774 -13.801 -5.107 7 230 0 1316 4297 Inactive Selective 15951 1ZON LYS 159 H -9.351 9.49 -14.054 -4.981 6 332 0 1268 3708 Inactive Selective 15952 1ZON LYS 160 H -7.919 7.828 -12.34 -4.644 5 387 0 1217 2950 Inactive Selective 15953 1ZON LEU 161 H -7.878 7.827 -12.444 -4.652 5 473 5 1171 2255 Inactive Selective 15954 1ZON SER 162 T -7.871 7.833 -12.478 -4.66 5 579 13 1150 1854 Permissive Selective 15955 1ZON ASN 163 T -7.872 7.826 -12.474 -4.659 5 652 15 1161 1679 Permissive Selective 15956 1ZON THR 164 T -7.911 7.779 -12.362 -4.64 5 702 15 1190 1711 Permissive Selective 15957 1ZON SER 165 C -9.264 8.775 -14.029 -4.897 6 760 23 1236 1932 Permissive Selective 15958 1ZON TYR 166 E -10.213 10.224 -14.625 -5.222 6 826 31 1279 2210 Permissive Selective 15959 1ZON GLN 167 E -11.914 14.04 -15.739 -5.639 8 827 31 1315 2625 Permissive Selective 15960 1ZON PHE 168 E -12.356 17.311 -13.267 -4.591 7 835 31 1329 3058 Permissive Selective 15961 1ZON ALA 169 E -12.244 17.07 -13.446 -4.563 7 791 36 1389 3642 Permissive Selective 15962 1ZON ALA 170 E -12.219 16.995 -13.573 -4.583 7 750 37 1463 4305 Permissive Selective 15963 1ZON VAL 171 E -12.21 16.924 -13.65 -4.595 7 686 56 1567 5076 Permissive Selective 15964 1ZON GLN 172 E -12.633 16.07 -14.692 -4.652 7 581 78 1682 5935 Permissive Selective 15965 1ZON PHE 173 E -12.58 15.536 -15.323 -5.002 8 529 95 1775 6890 Permissive Selective 15966 1ZON SER 174 T -11.265 11.867 -15.409 -5.361 8 442 118 1867 7537 Inactive Selective 15967 1ZON THR 175 T -10.534 12.35 -14.411 -5.302 6 338 125 1953 8020 Inactive Selective 15968 1ZON SER 176 T -10.486 12.456 -14.489 -5.326 6 262 139 2019 8391 Inactive Selective 15969 1ZON TYR 177 E -10.479 12.523 -14.49 -5.332 6 212 170 2068 8617 Inactive Selective 15970 1ZON LYS 178 E -10.458 12.569 -14.536 -5.355 6 157 165 2082 8682 Inactive Selective 15971 1ZON THR 179 E -10.617 12.88 -14.275 -5.351 8 92 167 2093 8663 Inactive Selective 15972 1ZON GLU 180 E -11.63 14.336 -15.473 -5.686 8 92 293 2086 8422 Inactive Selective 15973 1ZON PHE 181 E -12.077 15.088 -15.51 -5.755 8 79 454 2072 8062 Gatekeeper Selective 15974 1ZON ASP 182 T -12.191 14.451 -15.65 -5.734 8 81 514 2011 7487 Gatekeeper Selective 15975 1ZON PHE 183 H -13.908 17.74 -16.543 -5.457 8 89 596 1917 6795 Gatekeeper Selective 15976 1ZON SER 184 H -12.614 11.465 -17.181 -5.202 8 95 601 1784 5963 Gatekeeper Selective 15977 1ZON ASP 185 H -11.688 11.427 -15.836 -4.931 8 94 591 1631 5040 Gatekeeper Selective 15978 1ZON TYR 186 H -9.944 10.081 -13.517 -4.534 5 92 596 1479 4019 Gatekeeper Selective 15979 1ZON VAL 187 H -7.466 6.843 -11.575 -4.269 3 86 581 1327 3235 Gatekeeper Selective 15980 1ZON LYS 188 H -7.325 7.268 -11.562 -4.278 5 83 577 1168 2524 Gatekeeper Selective 15981 1ZON ARG 189 T -7.321 7.284 -11.576 -4.281 5 82 566 1027 1890 Gatekeeper Selective 15982 1ZON LYS 190 T -7.293 7.378 -11.652 -4.313 5 87 549 893 1341 Gatekeeper Gatekeeper 15983 1ZON ASP 191 T -7.282 7.458 -11.653 -4.322 5 87 555 785 876 Gatekeeper Inactive 15984 1ZON PRO 192 H -8.038 9.215 -11.934 -4.472 5 107 554 686 495 Gatekeeper Inactive 15985 1ZON ASP 193 H -8.7 10.362 -12.917 -4.86 5 152 429 620 253 Gatekeeper Inactive 15986 1ZON ALA 194 H -7.95 11.398 -10.585 -4.421 4 212 268 564 134 Inactive Inactive 15987 1ZON LEU 195 H -7.336 12.935 -8.772 -4.308 4 233 203 533 109 Inactive Inactive 15988 1ZON LEU 196 H -5.731 9.324 -7.979 -4.109 2 239 120 546 126 Inactive Inactive 15989 1ZON LYS 197 T -5.368 8.814 -8.299 -4.18 2 225 96 581 187 Inactive Inactive 15990 1ZON HIS 198 T -5.364 8.828 -8.321 -4.187 2 228 84 636 270 Inactive Inactive 15991 1ZON VAL 199 T -5.369 8.802 -8.31 -4.186 2 227 66 710 394 Inactive Inactive 15992 1ZON LYS 200 C -5.383 8.683 -8.321 -4.185 2 241 58 783 542 Inactive Inactive 15993 1ZON HIS 201 C -5.816 8.271 -8.749 -4.282 2 255 65 853 721 Inactive Inactive 15994 1ZON MET 202 C -8.035 10.903 -11.982 -5.11 5 267 85 905 917 Inactive Inactive 15995 1ZON LEU 203 C -8.707 10.898 -13.201 -5.211 6 270 91 971 1130 Inactive Inactive 15996 1ZON LEU 204 B -8.808 10.823 -13.281 -5.28 6 269 88 1016 1344 Inactive Gatekeeper 15997 1ZON LEU 205 C -9.18 12.067 -13.038 -5.425 6 245 79 1042 1550 Inactive Selective 15998 1ZON THR 206 T -9.879 12.605 -13.777 -5.661 6 193 78 1033 1742 Inactive Selective 15999 1ZON ASN 207 T -10.939 12.954 -15.494 -5.62 8 124 78 1026 1913 Inactive Selective 16000 1ZON THR 208 H -10.288 15.956 -11.788 -4.962 7 99 80 1003 2042 Inactive Gatekeeper 16001 1ZON PHE 209 H -10.312 16.169 -11.5 -4.842 7 96 86 962 2104 Inactive Gatekeeper 16002 1ZON GLY 210 H -10.28 16.014 -11.666 -4.846 7 119 93 941 2130 Inactive Gatekeeper 16003 1ZON ALA 211 H -10.283 16.028 -11.617 -4.822 7 155 94 915 2134 Inactive Gatekeeper 16004 1ZON ILE 212 H -10.323 16.147 -11.408 -4.777 7 172 92 910 2104 Inactive Gatekeeper 16005 1ZON ASN 213 H -11.365 14.128 -14.324 -4.778 7 175 88 909 2047 Inactive Gatekeeper 16006 1ZON TYR 214 H -10.598 13.075 -12.955 -4.454 7 199 73 913 1920 Inactive Gatekeeper 16007 1ZON VAL 215 H -9.232 12.05 -10.848 -3.922 4 210 51 917 1760 Inactive Gatekeeper 16008 1ZON ALA 216 H -9.134 12.596 -10.837 -4.018 4 250 39 910 1580 Inactive Gatekeeper 16009 1ZON THR 217 H -9.12 12.681 -10.868 -4.036 4 289 52 906 1386 Inactive Gatekeeper 16010 1ZON GLU 218 H -9.119 12.697 -10.867 -4.038 4 343 152 902 1184 Inactive Inactive 16011 1ZON VAL 219 H -9.115 12.859 -10.81 -4.057 4 427 307 902 991 Inactive Inactive 16012 1ZON PHE 220 T -9.682 14.661 -11.718 -4.658 7 503 468 903 806 Selective Inactive 16013 1ZON ARG 221 T -7.851 7.558 -12.396 -4.771 5 509 594 899 646 Selective Inactive 16014 1ZON GLU 222 G -7.31 8.219 -11.86 -4.827 3 511 731 911 553 Selective Inactive 16015 1ZON GLU 223 G -7.31 8.217 -11.861 -4.827 3 542 994 910 478 Selective Inactive 16016 1ZON LEU 224 G -7.312 8.193 -11.863 -4.828 3 755 1418 924 411 Selective Inactive 16017 1ZON GLY 225 C -7.311 8.146 -11.892 -4.828 3 1274 2005 915 342 Selective Inactive 16018 1ZON ALA 226 C -7.576 8.59 -11.682 -4.85 5 1737 2282 905 279 Selective Inactive 16019 1ZON ARG 227 T -9.002 7.4 -14.513 -4.687 6 1966 2429 905 270 Selective Inactive 16020 1ZON PRO 228 T -7.252 8.639 -10.844 -4.546 5 2387 2889 901 285 Selective Inactive 16021 1ZON ASP 229 T -7.239 8.697 -10.871 -4.547 5 2670 2959 897 301 Selective Inactive 16022 1ZON ALA 230 T -7.235 8.811 -10.823 -4.543 5 2990 3034 915 333 Selective Inactive 16023 1ZON THR 231 E -7.25 8.868 -10.736 -4.543 5 3341 3032 956 387 Selective Inactive 16024 1ZON LYS 232 E -7.259 8.905 -10.666 -4.538 5 3704 3029 1017 447 Selective Inactive 16025 1ZON VAL 233 E -9.121 13.924 -11.052 -4.482 7 4200 3148 1066 524 Selective Permissive 16026 1ZON LEU 234 E -9.527 17.005 -9.775 -4.374 7 4681 3467 1116 581 Selective Permissive 16027 1ZON ILE 235 E -10.163 19.998 -9.296 -4.373 7 5048 3814 1154 616 Selective Permissive 16028 1ZON ILE 236 E -10.168 19.036 -10.036 -4.548 7 5173 3896 1150 624 Selective Permissive 16029 1ZON ILE 237 E -10.205 17.92 -10.928 -4.756 7 4993 3732 1131 618 Selective Permissive 16030 1ZON THR 238 E -9.34 11.795 -13.375 -5.496 6 4532 3459 1096 609 Selective Permissive 16031 1ZON ASP 239 C -8.225 9.322 -12.939 -5.344 6 4163 3521 1061 588 Selective Permissive 16032 1ZON GLY 240 C -7.786 8.953 -12.868 -5.317 6 3952 3662 1003 550 Selective Inactive 16033 1ZON GLU 241 C -7.275 8.611 -11.979 -4.919 5 3534 3362 955 500 Selective Inactive 16034 1ZON ALA 242 C -5.558 6.93 -9.281 -4.321 2 3224 3468 918 452 Selective Inactive 16035 1ZON THR 243 C -5.307 6.263 -9.892 -4.45 2 2896 3571 857 401 Selective Inactive 16036 1ZON ASP 244 C -5.292 6.29 -9.918 -4.449 2 2515 3597 806 348 Selective Inactive 16037 1ZON SER 245 C -4.942 6.578 -9.526 -4.455 2 2135 3624 761 296 Selective Inactive 16038 1ZON GLY 246 C -4.847 6.65 -9.58 -4.496 2 1644 3561 740 235 Selective Inactive 16039 1ZON ASN 247 C -5.034 6.634 -9.769 -4.575 2 1255 3266 717 198 Selective Inactive 16040 1ZON ILE 248 C -5.174 7.112 -9.424 -4.54 2 935 2900 683 173 Selective Inactive 16041 1ZON ASP 249 G -5.187 7.096 -9.388 -4.54 2 863 2689 679 162 Selective Inactive 16042 1ZON ALA 250 G -5.859 7.429 -10.082 -4.689 3 909 2677 669 158 Selective Inactive 16043 1ZON ALA 251 G -7.031 9.294 -10.804 -4.479 5 923 2548 659 151 Selective Inactive 16044 1ZON LYS 252 T -7.57 9.173 -11.738 -4.608 5 864 2302 650 154 Selective Inactive 16045 1ZON ASP 253 T -8.06 8.612 -12.773 -4.741 5 834 2198 644 159 Selective Inactive 16046 1ZON ILE 254 T -8.39 10.066 -12.123 -4.737 5 874 2314 653 173 Selective Inactive 16047 1ZON ILE 255 E -9.149 10.651 -12.369 -4.762 5 867 2236 674 196 Selective Inactive 16048 1ZON ARG 256 E -12.054 11.823 -16.239 -5.338 8 848 2079 714 233 Selective Inactive 16049 1ZON TYR 257 E -11.386 19.568 -10.412 -4.682 7 841 1974 730 247 Selective Inactive 16050 1ZON ILE 258 E -8.861 14.766 -9.289 -4.345 4 809 1800 726 261 Selective Inactive 16051 1ZON ILE 259 E -7.794 11.594 -9.893 -4.355 4 762 1590 706 273 Selective Inactive 16052 1ZON GLY 260 E -7.552 10.398 -10.726 -4.467 4 751 1441 703 277 Selective Inactive 16053 1ZON ILE 261 E -7.526 10.509 -10.758 -4.482 4 723 1317 736 315 Selective Inactive 16054 1ZON GLY 262 T -7.359 10.166 -11.074 -4.585 4 655 1176 786 400 Selective Inactive 16055 1ZON LYS 263 T -7.364 9.731 -11.354 -4.625 5 604 927 867 556 Selective Inactive 16056 1ZON HIS 264 T -7.669 8.897 -12.272 -4.808 5 601 740 967 857 Selective Inactive 16057 1ZON PHE 265 T -7.693 8.851 -12.401 -4.858 5 659 650 1075 1291 Selective Selective 16058 1ZON GLN 266 T -6.567 4.173 -12.632 -4.622 3 719 463 1180 1726 Selective Selective 16059 1ZON THR 267 C -6.592 3.872 -12.722 -4.61 3 689 184 1279 2095 Permissive Selective 16060 1ZON LYS 268 H -6.6 3.787 -12.733 -4.609 3 722 78 1359 2365 Permissive Selective 16061 1ZON GLU 269 H -6.6 3.785 -12.732 -4.609 3 757 43 1426 2536 Permissive Selective 16062 1ZON SER 270 H -6.637 3.527 -12.733 -4.596 3 789 56 1477 2675 Permissive Selective 16063 1ZON GLN 271 H -8.676 5.877 -14.92 -5.001 6 781 78 1531 2777 Permissive Selective 16064 1ZON GLU 272 H -9.598 7.651 -15.584 -5.342 6 755 84 1561 2823 Permissive Selective 16065 1ZON THR 273 H -10.75 12.549 -14.897 -5.41 8 673 126 1582 2846 Permissive Selective 16066 1ZON LEU 274 C -10.815 13.331 -14.315 -5.323 8 673 206 1560 2815 Permissive Selective 16067 1ZON HIS 275 G -10.816 13.335 -14.302 -5.318 8 640 227 1536 2728 Permissive Selective 16068 1ZON LYS 276 G -10.846 13.345 -14.176 -5.292 8 593 270 1476 2567 Permissive Selective 16069 1ZON PHE 277 G -11.423 14.414 -14.305 -4.99 7 567 426 1404 2267 Selective Selective 16070 1ZON ALA 278 C -9.1 7.774 -13.116 -4.212 5 522 513 1314 1833 Selective Selective 16071 1ZON SER 279 T -8.315 6.513 -12.956 -4.053 5 480 537 1235 1406 Selective Selective 16072 1ZON LYS 280 T -7.748 6.599 -12.629 -4.224 5 486 584 1141 1059 Selective Permissive 16073 1ZON PRO 281 T -7.699 6.932 -12.576 -4.246 5 473 616 1038 828 Gatekeeper Permissive 16074 1ZON ALA 282 H -7.695 6.978 -12.572 -4.248 5 440 611 940 677 Gatekeeper Inactive 16075 1ZON SER 283 H -7.753 6.908 -12.519 -4.253 5 408 579 888 604 Gatekeeper Inactive 16076 1ZON GLU 284 H -7.951 7.246 -12.369 -4.356 5 387 552 835 584 Gatekeeper Inactive 16077 1ZON PHE 285 H -9.144 11.144 -12.004 -4.524 5 410 539 809 624 Gatekeeper Inactive 16078 1ZON VAL 286 E -10.235 14.082 -12.716 -4.859 7 400 494 780 710 Gatekeeper Inactive 16079 1ZON LYS 287 E -10.278 13.792 -13.58 -5.356 7 375 414 760 815 Gatekeeper Inactive 16080 1ZON ILE 288 E -9.524 16.038 -11.18 -5.223 7 374 393 730 885 Gatekeeper Inactive 16081 1ZON LEU 289 E -9.138 15.653 -11.259 -5.344 7 350 350 726 932 Inactive Inactive 16082 1ZON ASP 290 C -8.379 13.221 -11.398 -5.348 7 286 194 724 981 Inactive Inactive 16083 1ZON THR 291 C -8.377 13.276 -11.385 -5.355 7 222 103 725 998 Inactive Inactive 16084 1ZON PHE 292 G -8.389 13.278 -11.335 -5.352 7 181 79 723 1003 Inactive Inactive 16085 1ZON GLU 293 G -8.406 12.63 -11.691 -5.374 7 155 32 724 988 Inactive Inactive 16086 1ZON LYS 294 G -8.487 12.222 -11.776 -5.355 5 121 0 716 939 Inactive Inactive 16087 1ZON LEU 295 T -9.662 11.915 -13.853 -5.378 6 115 2 716 896 Inactive Inactive 16088 1ZON LYS 296 T -9.275 11.33 -13.129 -4.99 7 - - - - - - 16089 1ZON ASP 297 T -8.253 11.616 -11.137 -4.767 5 - - - - - - 16090 1ZON LEU 298 T -8.243 12.038 -10.895 -4.742 4 - - - - - - 16091 1ZON PHE 299 H -8.24 12.061 -10.895 -4.744 4 - - - - - - 16092 1ZON THR 300 H -8.108 11.623 -11.277 -4.781 5 - - - - - - 16093 1ZON GLU 301 H -8.157 11.626 -11.188 -4.788 5 - - - - - - 16094 1ZON LEU 302 H -8.841 11.744 -12.352 -5.02 7 - - - - - - 16095 1ZON GLN 303 H -8.358 12.139 -11.996 -5.437 5 - - - - - - 16096 1ZON LYS 304 H -6.153 11.006 -8.005 -4.486 4 - - - - - - 16097 1ZON LYS 305 H -5.753 10.959 -7.493 -4.109 4 - - - - - - 16098 1ZON ILE 306 H -5.753 10.959 -7.493 -4.109 4 - - - - - - 16099 1ZON TYR 307 C -5.753 10.959 -7.493 -4.109 4 - - - - - - 16100 1ZON VAL 308 C -5.753 10.959 -7.493 -4.109 4 - - - - - - 16101 1ZXQ LYS 1 C -5.283 6.859 -8.587 -4.01 2 - - - - - - 16102 1ZXQ VAL 2 C -5.283 6.859 -8.587 -4.01 2 - - - - - - 16103 1ZXQ PHE 3 C -5.283 6.859 -8.587 -4.01 2 - - - - - - 16104 1ZXQ GLU 4 C -5.283 6.859 -8.587 -4.01 2 - - - - - - 16105 1ZXQ VAL 5 E -6.688 9.791 -9.606 -4.722 4 - - - - - - 16106 1ZXQ HIS 6 E -8.911 11.281 -13.377 -5.746 6 - - - - - - 16107 1ZXQ VAL 7 E -8.833 11.463 -11.509 -4.479 5 - - - - - - 16108 1ZXQ ARG 8 E -8.82 11.29 -11.499 -4.382 5 - - - - - - 16109 1ZXQ PRO 9 T -8.532 11.645 -11.211 -4.333 4 - - - - - - 16110 1ZXQ LYS 10 T -8.474 11.775 -11.188 -4.313 4 - - - - - - 16111 1ZXQ LYS 11 E -8.483 11.899 -11.095 -4.3 4 - - - - - - 16112 1ZXQ LEU 12 E -8.548 12.691 -10.411 -4.002 4 - - - - - - 16113 1ZXQ ALA 13 E -7.07 11.352 -8.307 -3.81 4 197 2001 945 248 Gatekeeper Inactive 16114 1ZXQ VAL 14 E -6.189 8.818 -8.91 -4.004 2 216 2111 969 274 Gatekeeper Inactive 16115 1ZXQ GLU 15 T -5.528 8.05 -8.982 -4.264 2 217 2178 1026 307 Gatekeeper Inactive 16116 1ZXQ PRO 16 T -5.425 8.374 -8.898 -4.253 2 289 2366 1070 357 Gatekeeper Inactive 16117 1ZXQ LYS 17 T -5.401 8.442 -8.945 -4.273 2 365 2386 1108 410 Gatekeeper Inactive 16118 1ZXQ GLY 18 E -5.431 8.31 -8.998 -4.302 2 453 2410 1145 461 Gatekeeper Permissive 16119 1ZXQ SER 19 E -5.575 8.365 -8.97 -4.369 2 466 2230 1163 506 Gatekeeper Permissive 16120 1ZXQ LEU 20 E -6.349 10.21 -8.837 -4.308 4 476 1924 1165 563 Gatekeeper Permissive 16121 1ZXQ GLU 21 E -7.189 10.569 -10.03 -4.67 4 494 1751 1159 602 Gatekeeper Permissive 16122 1ZXQ VAL 22 E -8.355 12.863 -10.016 -4.501 4 513 1663 1143 623 Inactive Permissive 16123 1ZXQ ASN 23 E -9.823 12.681 -13.401 -5.041 7 768 2289 1128 646 Gatekeeper Permissive 16124 1ZXQ CYS 24 E -9.996 9.85 -15.731 -5.41 6 866 2687 1066 649 Gatekeeper Inactive 16125 1ZXQ SER 25 E -9.615 8.796 -15.834 -5.543 6 869 2719 1012 635 Selective Inactive 16126 1ZXQ THR 26 E -8.324 7.496 -14.184 -5.482 6 864 2708 969 621 Gatekeeper Inactive 16127 1ZXQ THR 27 C -7.979 7.381 -13.85 -5.253 6 895 2842 934 599 Selective Inactive 16128 1ZXQ CYS 28 T -7.89 7.273 -13.921 -5.206 6 924 3034 876 569 Selective Inactive 16129 1ZXQ ASN 29 T -7.455 6.746 -13.106 -4.763 3 866 2982 820 518 Gatekeeper Inactive 16130 1ZXQ GLN 30 T -6.039 6.908 -9.997 -4.313 2 803 2994 781 462 Gatekeeper Inactive 16131 1ZXQ PRO 31 T -5.827 7.004 -10.05 -4.349 2 727 3040 735 415 Gatekeeper Inactive 16132 1ZXQ GLU 32 T -5.807 7.09 -10.074 -4.367 2 723 2957 701 371 Gatekeeper Inactive 16133 1ZXQ VAL 33 E -5.809 7.093 -10.06 -4.365 2 754 2891 674 322 Gatekeeper Inactive 16134 1ZXQ GLY 34 E -5.828 7.122 -9.985 -4.366 2 751 2768 645 288 Gatekeeper Inactive 16135 1ZXQ GLY 35 E -6.427 7.467 -10.505 -4.537 3 711 2513 624 260 Gatekeeper Inactive 16136 1ZXQ LEU 36 E -7.592 9.025 -11.643 -4.928 5 455 1817 594 228 Gatekeeper Inactive 16137 1ZXQ GLU 37 E -8.12 8.165 -13.226 -5.065 5 356 1352 598 212 Inactive Inactive 16138 1ZXQ THR 38 C -7.266 9.219 -11.419 -4.989 3 328 1130 612 211 Inactive Inactive 16139 1ZXQ SER 39 C -7.2 9.101 -11.508 -4.934 3 309 938 610 211 Inactive Inactive 16140 1ZXQ LEU 40 C -7.098 9.482 -11.336 -4.895 3 262 691 617 231 Inactive Inactive 16141 1ZXQ ASN 41 E -6.418 10.2 -9.649 -4.68 4 236 419 647 287 Inactive Inactive 16142 1ZXQ LYS 42 E -6.051 10.408 -9.03 -4.566 4 335 281 696 374 Inactive Inactive 16143 1ZXQ ILE 43 E -5.239 9.795 -7.62 -4.251 2 506 236 731 473 Inactive Inactive 16144 1ZXQ LEU 44 E -5.163 9.848 -7.763 -4.305 2 638 92 774 612 Inactive Inactive 16145 1ZXQ LEU 45 E -5.133 9.754 -7.886 -4.317 2 709 87 819 733 Inactive Inactive 16146 1ZXQ ASP 46 E -5.181 9.685 -7.807 -4.295 2 827 67 882 845 Inactive Inactive 16147 1ZXQ GLU 47 E -5.251 9.582 -7.72 -4.274 2 902 68 929 931 Permissive Inactive 16148 1ZXQ GLN 48 E -6.167 9.572 -9.399 -4.653 4 964 71 978 1043 Permissive Inactive 16149 1ZXQ ALA 49 T -6.835 8.323 -10.417 -4.575 5 994 71 1039 1141 Permissive Inactive 16150 1ZXQ GLN 50 T -8.931 8.445 -14.158 -5.095 6 1099 73 1123 1279 Permissive Permissive 16151 1ZXQ TRP 51 E -9.343 9.615 -13.706 -5.202 6 1146 72 1197 1436 Permissive Permissive 16152 1ZXQ LYS 52 E -12.073 12.048 -16.676 -5.677 8 1130 72 1283 1568 Permissive Selective 16153 1ZXQ HIS 53 E -14.041 17.645 -17.601 -6.045 8 1157 72 1331 1616 Permissive Selective 16154 1ZXQ TYR 54 E -12.728 16.506 -14.678 -5.234 8 1142 72 1331 1591 Permissive Selective 16155 1ZXQ LEU 55 E -10.492 13.83 -12.11 -4.494 7 1030 71 1334 1537 Permissive Permissive 16156 1ZXQ VAL 56 E -9.81 12.71 -12.056 -4.353 7 850 52 1343 1494 Inactive Permissive 16157 1ZXQ SER 57 E -8.503 9.879 -11.568 -4.279 5 736 42 1348 1399 Inactive Permissive 16158 1ZXQ ASN 58 E -7.746 8.832 -11.393 -4.296 5 662 39 1353 1351 Inactive Permissive 16159 1ZXQ ILE 59 E -7.491 8.683 -11.399 -4.261 5 496 23 1339 1340 Inactive Permissive 16160 1ZXQ SER 60 C -7.079 7.409 -11.573 -4.218 3 420 22 1367 1407 Inactive Permissive 16161 1ZXQ HIS 61 C -7.047 7.484 -11.615 -4.24 5 405 30 1383 1443 Inactive Permissive 16162 1ZXQ ASP 62 C -7.093 7.319 -11.628 -4.239 3 460 59 1421 1550 Inactive Permissive 16163 1ZXQ THR 63 E -7.255 6.976 -11.729 -4.221 3 444 114 1425 1609 Inactive Selective 16164 1ZXQ VAL 64 E -7.413 6.537 -11.826 -4.229 3 559 208 1424 1655 Inactive Selective 16165 1ZXQ LEU 65 E -8.696 9.241 -12.425 -4.635 5 790 367 1431 1724 Inactive Selective 16166 1ZXQ GLN 66 E -10.686 11.199 -15.453 -5.408 6 1044 576 1452 1915 Permissive Selective 16167 1ZXQ CYS 67 E -11.002 11.626 -15.413 -5.47 8 1283 797 1490 2130 Permissive Selective 16168 1ZXQ HIS 68 E -12.035 14.033 -16.272 -5.602 8 1586 954 1500 2264 Permissive Selective 16169 1ZXQ PHE 69 E -9.438 11.136 -12.961 -5.152 6 1913 1258 1495 2310 Permissive Selective 16170 1ZXQ THR 70 E -7.258 6.619 -12.652 -5.19 3 2186 1467 1494 2359 Permissive Selective 16171 1ZXQ CYS 71 E -6.796 6.335 -12.9 -5.37 3 2542 1734 1492 2448 Selective Selective 16172 1ZXQ SER 72 T -6.722 6.357 -12.996 -5.366 3 2697 1847 1513 2591 Selective Selective 16173 1ZXQ GLY 73 T -6.548 6.821 -12.834 -5.422 3 2830 1968 1520 2774 Selective Selective 16174 1ZXQ LYS 74 E -6.551 6.798 -12.838 -5.425 3 2941 1991 1537 2997 Selective Selective 16175 1ZXQ GLN 75 E -6.752 6.964 -12.934 -5.528 3 2897 2007 1517 3182 Selective Selective 16176 1ZXQ GLU 76 E -7.163 7.85 -12.764 -5.535 3 2860 2136 1484 3382 Selective Selective 16177 1ZXQ SER 77 E -7.328 8.297 -12.469 -5.6 3 2702 2127 1466 3580 Selective Selective 16178 1ZXQ MET 78 E -9.085 10.603 -14.598 -5.877 6 2474 2046 1435 3754 Selective Selective 16179 1ZXQ ASN 79 E -9.194 10.63 -14.562 -5.898 6 2188 1912 1419 3858 Selective Selective 16180 1ZXQ SER 80 E -9.89 10.577 -15.276 -5.619 6 1944 1728 1394 3976 Selective Selective 16181 1ZXQ ASN 81 E -10.085 10.458 -15.198 -5.523 6 1645 1638 1357 4166 Permissive Selective 16182 1ZXQ VAL 82 E -10.836 11.621 -15.141 -5.225 6 1324 1399 1330 4381 Permissive Selective 16183 1ZXQ SER 83 E -11.601 11.458 -16.031 -5.153 8 1042 1284 1302 4585 Permissive Selective 16184 1ZXQ VAL 84 E -12.403 14.549 -15.417 -4.875 8 689 1105 1258 4650 Inactive Selective 16185 1ZXQ TYR 85 C -12.724 17.436 -14.658 -5.046 8 536 1180 1177 4571 Inactive Selective 16186 1ZXQ GLN 86 B -11.125 12.432 -14.114 -4.794 7 451 1304 1096 4353 Inactive Gatekeeper 16187 1ZXQ PRO 87 C -9.6 13.396 -10.853 -4.147 7 391 1715 1018 4082 Inactive Gatekeeper 16188 1ZXQ PRO 88 C -9.559 13.338 -11.016 -4.157 7 401 1758 954 3784 Gatekeeper Gatekeeper 16189 1ZXQ ARG 89 C -9.551 13.319 -11.069 -4.164 7 460 1643 903 3464 Inactive Gatekeeper 16190 1ZXQ GLN 90 C -9.258 13.38 -11.305 -4.402 7 590 1635 839 3128 Inactive Gatekeeper 16191 1ZXQ VAL 91 C -9.064 14.448 -10.85 -4.555 7 887 1967 782 2807 Selective Gatekeeper 16192 1ZXQ ILE 92 E -9.319 15.014 -11.107 -4.849 7 1035 2199 718 2476 Selective Gatekeeper 16193 1ZXQ LEU 93 E -9.288 14.994 -11.188 -4.884 7 1085 2401 679 2142 Selective Gatekeeper 16194 1ZXQ THR 94 E -8.401 11.102 -11.46 -4.594 5 1125 2465 683 1827 Selective Gatekeeper 16195 1ZXQ LEU 95 E -7.171 10.915 -9.433 -4.381 4 1140 2520 700 1562 Selective Gatekeeper 16196 1ZXQ GLN 96 E -6.788 9.916 -9.59 -4.207 4 1190 2574 720 1327 Selective Inactive 16197 1ZXQ PRO 97 T -6.511 9.839 -9.143 -3.909 4 1247 2719 766 1222 Selective Inactive 16198 1ZXQ THR 98 T -6.467 9.972 -9.103 -3.876 4 1268 2544 833 1240 Selective Inactive 16199 1ZXQ LEU 99 E -6.296 9.999 -8.917 -3.829 4 1244 2323 900 1396 Selective Inactive 16200 1ZXQ VAL 100 E -6.381 9.668 -8.997 -3.713 4 1162 1887 968 1645 Selective Gatekeeper 16201 1ZXQ ALA 101 T -6.316 8.982 -9.362 -3.792 4 1123 1833 1026 1948 Selective Gatekeeper 16202 1ZXQ VAL 102 T -6.499 8.729 -9.729 -3.936 4 1022 1777 1085 2306 Selective Gatekeeper 16203 1ZXQ GLY 103 T -6.545 8.486 -9.825 -3.976 4 910 1727 1136 2721 Selective Selective 16204 1ZXQ LYS 104 E -6.864 7.356 -10.682 -4.133 3 617 1325 1190 3183 Inactive Selective 16205 1ZXQ SER 105 E -6.979 7.105 -10.675 -4.178 3 506 1171 1229 3624 Inactive Selective 16206 1ZXQ PHE 106 E -9.5 12.012 -12.375 -4.735 7 525 1119 1244 4064 Inactive Selective 16207 1ZXQ THR 107 E -10.534 12.099 -14.095 -5.217 6 502 1078 1238 4463 Inactive Selective 16208 1ZXQ ILE 108 E -12.114 14.897 -15.558 -5.237 8 510 1087 1213 4874 Inactive Selective 16209 1ZXQ GLU 109 E -12.293 13.793 -16.49 -5.302 8 488 1096 1181 5209 Inactive Selective 16210 1ZXQ CYS 110 E -12.021 11.644 -16.799 -4.98 8 444 1006 1127 5431 Inactive Selective 16211 1ZXQ ARG 111 E -11.69 11.175 -16.041 -4.546 8 448 1159 1058 5535 Inactive Gatekeeper 16212 1ZXQ VAL 112 E -10.851 12.266 -13.936 -4.516 7 683 1608 972 5522 Inactive Gatekeeper 16213 1ZXQ PRO 113 C -10.732 12.245 -13.989 -4.525 7 1001 2039 889 5507 Selective Gatekeeper 16214 1ZXQ THR 114 C -10.678 12.441 -13.958 -4.536 7 1424 2298 824 5428 Selective Gatekeeper 16215 1ZXQ VAL 115 T -10.467 13.044 -13.512 -4.564 7 1795 2641 788 5310 Selective Gatekeeper 16216 1ZXQ GLU 116 B -10.479 13.129 -13.522 -4.614 7 1931 2830 775 5107 Selective Gatekeeper 16217 1ZXQ PRO 117 T -10.704 13.54 -13.682 -4.666 7 2182 3164 771 4853 Selective Gatekeeper 16218 1ZXQ LEU 118 G -10.75 13.866 -13.595 -4.706 7 2414 3125 786 4597 Selective Gatekeeper 16219 1ZXQ ASP 119 G -10.77 13.856 -13.625 -4.726 7 2683 3061 817 4294 Selective Gatekeeper 16220 1ZXQ SER 120 G -11.237 13.798 -14.501 -4.845 7 2894 3063 879 4003 Selective Gatekeeper 16221 1ZXQ LEU 121 E -11.287 14.518 -14.048 -4.784 7 3128 3047 950 3669 Selective Gatekeeper 16222 1ZXQ THR 122 E -11.561 14.969 -14.119 -4.881 7 3254 3055 1020 3380 Selective Gatekeeper 16223 1ZXQ LEU 123 E -12.032 16.066 -13.953 -4.855 7 3433 3138 1108 3142 Selective Gatekeeper 16224 1ZXQ PHE 124 E -12.688 20.052 -12.426 -4.707 7 3488 3042 1181 2935 Selective Selective 16225 1ZXQ LEU 125 E -12.543 18.315 -13.799 -5.136 8 3246 2645 1252 2714 Selective Selective 16226 1ZXQ PHE 126 E -10.243 10.514 -15.02 -5.694 6 2913 2222 1283 2395 Selective Selective 16227 1ZXQ ARG 127 E -6.297 8.116 -10.88 -5.475 3 2498 1945 1315 2097 Selective Selective 16228 1ZXQ GLY 128 T -4.747 8.421 -8.344 -5.024 2 2162 1607 1351 1802 Permissive Selective 16229 1ZXQ ASN 129 T -4.74 8.452 -8.367 -5.025 2 2012 1406 1391 1555 Permissive Permissive 16230 1ZXQ GLU 130 E -4.738 8.466 -8.371 -5.025 2 1811 1273 1426 1339 Permissive Permissive 16231 1ZXQ THR 131 E -4.737 8.484 -8.373 -5.026 2 1654 1628 1456 1169 Permissive Permissive 16232 1ZXQ LEU 132 E -4.78 8.517 -8.181 -4.991 2 1625 2782 1489 1049 Selective Permissive 16233 1ZXQ HIS 133 E -7.119 12.156 -10.056 -5.115 4 1603 3739 1509 935 Selective Permissive 16234 1ZXQ TYR 134 E -7.775 14.842 -9.803 -5.243 4 1483 4681 1509 842 Selective Permissive 16235 1ZXQ GLU 135 E -7.784 13.663 -10.389 -5.134 7 1446 5469 1503 748 Selective Permissive 16236 1ZXQ THR 136 E -6.414 10.299 -8.649 -4.358 4 1408 6276 1475 648 Selective Permissive 16237 1ZXQ PHE 137 C -5.525 9.679 -7.725 -4.1 2 1520 7317 1467 574 Selective Permissive 16238 1ZXQ GLY 138 C -3.807 4.736 -7.217 -3.592 1 1907 8283 1478 546 Selective Permissive 16239 1ZXQ LYS 139 C -3.727 4.801 -7.281 -3.542 1 2201 9192 1507 532 Selective Permissive 16240 1ZXQ ALA 140 T -3.647 4.843 -7.296 -3.471 1 2398 10111 1512 519 Selective Permissive 16241 1ZXQ ALA 141 T -3.652 4.799 -7.291 -3.464 1 2482 10739 1482 489 Selective Permissive 16242 1ZXQ PRO 142 T -3.671 4.639 -7.287 -3.444 1 2538 11115 1422 449 Selective Permissive 16243 1ZXQ ALA 143 T -4.498 5.218 -7.58 -3.08 1 2504 10965 1336 392 Selective Permissive 16244 1ZXQ PRO 144 T -4.861 5.196 -7.475 -2.994 1 2404 10515 1233 331 Selective Permissive 16245 1ZXQ GLN 145 T -7.082 7.889 -11.169 -4.102 5 2097 9244 1122 270 Selective Permissive 16246 1ZXQ GLU 146 T -7.481 8.85 -11.555 -4.39 5 1886 8198 1006 226 Selective Inactive 16247 1ZXQ ALA 147 E -7.897 10.147 -11.656 -4.564 5 1759 7157 924 183 Selective Inactive 16248 1ZXQ THR 148 E -7.704 12.47 -10.458 -4.943 4 1657 6225 854 162 Selective Inactive 16249 1ZXQ ALA 149 E -7.784 12.803 -10.29 -4.979 4 1511 5197 799 158 Selective Inactive 16250 1ZXQ THR 150 E -7.662 12.381 -10.671 -5.038 4 1334 4090 750 145 Selective Inactive 16251 1ZXQ PHE 151 E -7.711 12.32 -10.71 -5.084 4 966 3081 714 144 Selective Inactive 16252 1ZXQ ASN 152 E -7.726 12.164 -10.791 -5.107 4 734 2220 730 194 Gatekeeper Inactive 16253 1ZXQ SER 153 E -8.378 10.392 -12.754 -5.114 5 530 1301 755 258 Inactive Inactive 16254 1ZXQ THR 154 E -7.932 8.886 -12.211 -4.595 5 440 701 788 391 Inactive Inactive 16255 1ZXQ ALA 155 E -8.126 8.167 -12.221 -4.308 5 388 338 846 606 Inactive Inactive 16256 1ZXQ ASP 156 C -8.078 8.076 -12.428 -4.394 5 407 297 913 917 Inactive Inactive 16257 1ZXQ ARG 157 G -6.571 6.98 -11.038 -4.672 3 426 292 1013 1302 Inactive Inactive 16258 1ZXQ GLU 158 G -6.56 6.985 -11.103 -4.692 3 499 311 1101 1691 Inactive Gatekeeper 16259 1ZXQ ASP 159 G -6.596 6.921 -11.059 -4.72 3 524 316 1166 2073 Inactive Selective 16260 1ZXQ GLY 160 G -6.597 6.921 -11.052 -4.721 3 527 315 1211 2434 Inactive Selective 16261 1ZXQ HIS 161 C -6.603 6.909 -11.018 -4.716 3 530 297 1255 2771 Inactive Selective 16262 1ZXQ ARG 162 C -8.78 7.685 -14.402 -5.441 6 539 302 1297 3095 Inactive Selective 16263 1ZXQ ASN 163 E -10.763 11.642 -15.724 -5.759 8 543 303 1331 3409 Inactive Selective 16264 1ZXQ PHE 164 E -11.112 13.344 -14.711 -5.667 8 501 271 1342 3648 Inactive Selective 16265 1ZXQ SER 165 E -11.963 12.856 -15.007 -4.622 7 497 232 1306 3776 Inactive Selective 16266 1ZXQ CYS 166 E -11.12 13.791 -13.026 -4.277 7 570 308 1272 3851 Inactive Selective 16267 1ZXQ LEU 167 E -10.539 14.235 -12.105 -4.161 7 596 338 1226 3854 Inactive Selective 16268 1ZXQ ALA 168 E -10.196 14.491 -11.795 -4.196 7 608 386 1194 3777 Inactive Selective 16269 1ZXQ VAL 169 E -10.066 14.385 -11.961 -4.263 7 605 429 1162 3588 Inactive Selective 16270 1ZXQ LEU 170 E -9.72 13.276 -12.283 -4.416 7 581 435 1108 3290 Inactive Gatekeeper 16271 1ZXQ ASP 171 E -9.73 13.066 -12.467 -4.474 7 512 419 1056 2952 Inactive Gatekeeper 16272 1ZXQ LEU 172 E -9.781 12.595 -12.886 -4.591 7 507 423 1005 2594 Inactive Gatekeeper 16273 1ZXQ MET 173 T -9.158 8.37 -14.516 -5.025 6 516 422 948 2244 Inactive Gatekeeper 16274 1ZXQ SER 174 T -8.911 7.64 -14.83 -5.073 6 565 517 886 1908 Inactive Gatekeeper 16275 1ZXQ ARG 175 T -8.297 8.636 -13.525 -5.216 6 603 580 826 1577 Inactive Gatekeeper 16276 1ZXQ GLY 176 T -6.366 9.002 -9.573 -4.643 4 683 619 757 1257 Inactive Inactive 16277 1ZXQ GLY 177 C -5.769 9.984 -8.521 -4.512 4 696 618 692 991 Inactive Inactive 16278 1ZXQ ASN 178 E -5.762 10.017 -8.53 -4.51 4 643 598 633 797 Inactive Inactive 16279 1ZXQ ILE 179 E -5.753 10.074 -8.531 -4.507 4 588 519 576 645 Inactive Inactive 16280 1ZXQ PHE 180 E -5.758 10.082 -8.492 -4.501 4 - - - - - - 16281 1ZXQ HIS 181 E -6.003 10.626 -8.049 -4.44 4 - - - - - - 16282 1ZXQ LYS 182 E -7.497 10.704 -10.876 -4.524 4 - - - - - - 16283 1ZXQ HIS 183 E -7.379 9.215 -11.512 -4.553 5 - - - - - - 16284 1ZXQ SER 184 C -7.508 7.855 -12.359 -4.6 5 - - - - - - 16285 1ZXQ ALA 185 C -7.513 7.813 -12.354 -4.598 5 - - - - - - 16286 1ZXQ PRO 186 C -7.588 7.647 -12.323 -4.584 5 - - - - - - 16287 1ZXQ LYS 187 E -7.848 7.543 -12.331 -4.59 5 - - - - - - 16288 1ZXQ MET 188 E -8.784 10.73 -12.028 -4.536 5 - - - - - - 16289 1ZXQ LEU 189 C -7.367 13.958 -6.608 -3.382 4 - - - - - - 16290 1ZXQ GLU 190 E -7.367 13.958 -6.608 -3.382 4 - - - - - - 16291 1ZXQ ILE 191 E -7.367 13.958 -6.608 -3.382 4 - - - - - - 16292 1ZXQ TYR 192 C -7.367 13.958 -6.608 -3.382 4 - - - - - - 16293 2ABL MET 75 Y -3.134 3.439 -7.091 -3.396 1 - - - - - - 16294 2ABL GLY 76 C -3.134 3.439 -7.091 -3.396 1 - - - - - - 16295 2ABL PRO 77 C -3.134 3.439 -7.091 -3.396 1 - - - - - - 16296 2ABL SER 78 C -3.134 3.439 -7.091 -3.396 1 - - - - - - 16297 2ABL GLU 79 T -3.989 3.861 -9.017 -4.295 2 - - - - - - 16298 2ABL ASN 80 T -4.77 4.173 -10.504 -5.065 3 - - - - - - 16299 2ABL ASP 81 T -6.681 5.763 -13.851 -6.286 3 - - - - - - 16300 2ABL PRO 82 T -8.11 7.491 -15.615 -6.72 6 - - - - - - 16301 2ABL ASN 83 T -9.017 7.441 -15.981 -5.974 6 - - - - - - 16302 2ABL LEU 84 T -10.58 10.993 -16.588 -6.264 8 - - - - - - 16303 2ABL PHE 85 E -11.415 16.004 -12.617 -4.29 7 - - - - - - 16304 2ABL VAL 86 E -9.306 12.45 -10.942 -4.281 4 - - - - - - 16305 2ABL ALA 87 E -9.297 12.487 -10.971 -4.288 4 3063 6862 1234 1146 Selective Selective 16306 2ABL LEU 88 E -8.76 12.772 -10.8 -4.469 7 3004 6275 1219 1047 Selective Selective 16307 2ABL TYR 89 T -8.321 12.692 -10.664 -4.541 4 2709 5350 1166 917 Selective Selective 16308 2ABL ASP 90 T -7.354 10.019 -10.149 -4.271 4 2452 4505 1125 790 Selective Selective 16309 2ABL PHE 91 T -6.184 7.636 -9.582 -4.177 2 2321 4211 1087 684 Selective Selective 16310 2ABL VAL 92 B -4.507 2.593 -9.754 -4.053 2 2152 3744 1036 564 Selective Selective 16311 2ABL ALA 93 C -4.367 2.493 -10.03 -4.091 2 1983 3235 967 440 Selective Permissive 16312 2ABL SER 94 C -3.689 3.263 -9.153 -4.284 2 1914 2846 924 334 Selective Inactive 16313 2ABL GLY 95 C -3.686 3.277 -9.163 -4.287 2 1788 2492 863 244 Selective Inactive 16314 2ABL ASP 96 T -3.693 3.226 -9.159 -4.288 2 1612 2195 788 180 Selective Inactive 16315 2ABL ASN 97 T -3.855 3.521 -8.96 -4.361 2 1238 1748 746 115 Selective Inactive 16316 2ABL THR 98 T -3.91 3.655 -8.754 -4.373 2 939 1216 702 87 Inactive Inactive 16317 2ABL LEU 99 B -6.631 6.855 -10.935 -4.642 3 745 939 689 75 Inactive Inactive 16318 2ABL SER 100 T -8.488 9.665 -12.865 -4.774 5 651 770 669 66 Inactive Inactive 16319 2ABL ILE 101 C -8.507 8.769 -13.292 -4.768 5 540 582 665 78 Inactive Inactive 16320 2ABL THR 102 B -7.947 7.605 -13.118 -4.827 5 480 453 708 112 Inactive Inactive 16321 2ABL LYS 103 T -7.942 7.562 -13.161 -4.837 5 471 429 768 155 Inactive Inactive 16322 2ABL GLY 104 T -7.95 7.503 -13.169 -4.845 5 433 379 846 233 Inactive Inactive 16323 2ABL GLU 105 T -8.032 7.384 -13.189 -4.906 5 399 257 938 343 Inactive Inactive 16324 2ABL LYS 106 E -8.189 7.256 -13.165 -4.975 3 344 173 1016 478 Inactive Permissive 16325 2ABL LEU 107 E -10.077 10.4 -14.402 -5.148 6 240 214 1083 620 Inactive Selective 16326 2ABL ARG 108 E -10.985 14.107 -13.718 -4.896 7 213 273 1161 752 Inactive Selective 16327 2ABL VAL 109 E -10.836 14.1 -13.827 -5.017 7 213 337 1208 853 Inactive Selective 16328 2ABL LEU 110 E -9.761 11.769 -13.747 -5.422 6 216 426 1228 936 Inactive Selective 16329 2ABL GLY 111 E -9.216 10.4 -14.167 -5.571 6 215 501 1251 1006 Inactive Selective 16330 2ABL TYR 112 E -8.871 10.326 -14.074 -5.682 6 251 539 1256 1065 Inactive Selective 16331 2ABL ASN 113 E -6.619 5.11 -12.871 -5.454 3 368 627 1270 1127 Inactive Selective 16332 2ABL HIS 114 T -6.544 5.515 -12.847 -5.465 3 502 769 1272 1177 Inactive Selective 16333 2ABL ASN 115 T -6.544 5.506 -12.851 -5.466 3 671 1034 1250 1209 Inactive Selective 16334 2ABL GLY 116 T -6.547 5.487 -12.843 -5.465 3 842 1399 1220 1243 Gatekeeper Selective 16335 2ABL GLU 117 T -6.552 5.445 -12.834 -5.462 3 998 1667 1174 1236 Selective Selective 16336 2ABL TRP 118 T -7.781 8.592 -12.762 -5.553 5 1153 1930 1116 1190 Selective Selective 16337 2ABL CYS 119 E -9.717 10.339 -15.063 -5.776 6 1248 2348 1092 1154 Selective Selective 16338 2ABL GLU 120 E -10.248 11.686 -15.001 -5.698 6 1270 2485 1088 1096 Selective Selective 16339 2ABL ALA 121 E -9.354 7.671 -14.748 -5.115 6 1287 2694 1078 1039 Selective Selective 16340 2ABL GLN 122 E -6.551 5.17 -12.643 -5.424 3 1304 2908 1092 1006 Selective Selective 16341 2ABL THR 123 E -5.648 5.423 -11.565 -5.3 3 1322 3101 1095 979 Selective Selective 16342 2ABL LYS 124 E -5.309 4.695 -11.813 -5.232 3 1324 3246 1089 955 Selective Selective 16343 2ABL ASN 125 T -5.309 4.699 -11.816 -5.232 3 1301 3707 1082 942 Selective Selective 16344 2ABL GLY 126 T -5.309 4.697 -11.813 -5.232 3 1204 4071 1053 918 Selective Selective 16345 2ABL GLN 127 E -5.386 4.635 -11.7 -5.205 3 1067 4155 1022 888 Selective Selective 16346 2ABL GLY 128 E -5.801 3.765 -12.139 -5.144 3 893 4193 989 854 Gatekeeper Selective 16347 2ABL TRP 129 E -9.309 9.91 -14.291 -5.435 6 713 4026 939 802 Gatekeeper Gatekeeper 16348 2ABL VAL 130 E -9.026 12.299 -10.997 -4.28 4 540 3822 889 752 Gatekeeper Gatekeeper 16349 2ABL PRO 131 E -8.012 12.461 -9.506 -4.244 4 382 3598 841 699 Gatekeeper Gatekeeper 16350 2ABL SER 132 E -7.81 12.652 -9.623 -4.35 4 293 3155 765 608 Gatekeeper Gatekeeper 16351 2ABL ASN 133 G -7.511 13.496 -8.984 -4.323 4 262 2914 687 528 Gatekeeper Inactive 16352 2ABL TYR 134 G -7.386 13.955 -8.707 -4.272 4 281 2685 629 455 Gatekeeper Inactive 16353 2ABL ILE 135 G -7.337 13.868 -8.745 -4.271 4 487 2525 606 399 Gatekeeper Inactive 16354 2ABL THR 136 E -7.481 14.06 -8.797 -4.284 4 759 2314 585 354 Gatekeeper Inactive 16355 2ABL PRO 137 E -7.586 14.229 -8.598 -4.22 4 840 2132 573 305 Gatekeeper Inactive 16356 2ABL VAL 138 E -7.938 13.771 -9.093 -4.172 4 905 1669 546 261 Gatekeeper Inactive 16357 2ABL ASN 139 T -8.328 11.745 -10.585 -4.297 4 1007 1280 528 215 Selective Inactive 16358 2ABL SER 140 T -8.645 10.168 -12.381 -4.618 5 1095 1103 519 167 Permissive Inactive 16359 2ABL LEU 141 T -8.908 10.529 -12.776 -4.859 5 1126 845 512 129 Permissive Inactive 16360 2ABL GLU 142 G -8.935 10.491 -12.773 -4.884 5 1193 747 518 99 Permissive Inactive 16361 2ABL LYS 143 G -8.95 10.443 -12.738 -4.882 5 1248 749 530 77 Permissive Inactive 16362 2ABL HIS 144 G -8.973 10.439 -12.642 -4.866 5 1313 838 548 66 Permissive Inactive 16363 2ABL SER 145 T -9.948 9.821 -14.143 -4.951 6 1351 969 559 60 Permissive Inactive 16364 2ABL TRP 146 T -11.459 12.542 -14.976 -5.157 8 1449 1175 560 56 Permissive Inactive 16365 2ABL TYR 147 T -10.393 13.565 -12.261 -4.701 7 1426 1234 531 52 Selective Inactive 16366 2ABL HIS 148 E -9.318 10.336 -12.606 -4.494 5 1278 1275 465 39 Selective Inactive 16367 2ABL GLY 149 E -9.188 10.132 -12.84 -4.475 5 1058 1391 408 24 Selective Inactive 16368 2ABL PRO 150 E -8.622 9.662 -12.198 -4.281 5 996 1394 353 17 Gatekeeper Inactive 16369 2ABL VAL 151 E -8.111 8.823 -11.958 -4.205 5 950 1358 311 10 Gatekeeper Inactive 16370 2ABL SER 152 C -7.683 8.481 -11.554 -4.134 5 856 1299 280 7 Gatekeeper Inactive 16371 2ABL ARG 153 C -7.561 8.514 -11.549 -4.174 5 786 1254 248 8 Gatekeeper Inactive 16372 2ABL ASN 154 H -7.422 8.43 -11.7 -4.27 5 832 1252 238 9 Gatekeeper Inactive 16373 2ABL ALA 155 H -7.45 8.388 -11.725 -4.281 5 847 1229 231 10 Inactive Inactive 16374 2ABL ALA 156 H -7.572 8.447 -11.717 -4.313 5 815 1205 247 12 Inactive Inactive 16375 2ABL GLU 157 H -7.894 8.64 -12.147 -4.493 5 806 1183 300 29 Inactive Inactive 16376 2ABL TYR 158 H -8.036 8.633 -12.228 -4.418 5 890 1268 386 68 Gatekeeper Inactive 16377 2ABL LEU 159 H -7.898 8.712 -11.668 -4.226 5 855 1183 502 202 Inactive Inactive 16378 2ABL LEU 160 H -7.662 7.784 -11.949 -4.205 5 870 1130 659 453 Inactive Inactive 16379 2ABL SER 161 H -7.123 5.377 -12.724 -4.371 5 857 1026 837 798 Inactive Gatekeeper 16380 2ABL SER 162 T -6.308 4.324 -12.294 -4.586 3 867 875 1009 1243 Inactive Selective 16381 2ABL GLY 163 T -6.22 4.473 -12.383 -4.652 3 944 856 1193 1685 Inactive Selective 16382 2ABL ILE 164 T -6.245 4.308 -12.421 -4.667 3 994 860 1371 2099 Inactive Selective 16383 2ABL ASN 165 T -6.266 4.233 -12.417 -4.685 3 1063 936 1531 2481 Permissive Selective 16384 2ABL GLY 166 T -6.355 4.311 -12.281 -4.718 3 1199 1189 1689 2861 Permissive Selective 16385 2ABL SER 167 T -7.345 5.723 -12.84 -4.974 3 1291 1395 1804 3205 Selective Selective 16386 2ABL PHE 168 E -10.478 13.872 -12.871 -4.757 7 1448 1638 1925 3623 Selective Selective 16387 2ABL LEU 169 E -10.965 16.001 -11.725 -4.587 7 1499 1714 2045 4145 Selective Selective 16388 2ABL VAL 170 E -11.016 16.041 -11.477 -4.527 7 1460 1682 2115 4723 Selective Selective 16389 2ABL ARG 171 E -14.636 14.667 -19.467 -5.698 8 1371 1601 2174 5374 Selective Selective 16390 2ABL GLU 172 E -12.354 9.793 -17.738 -5.435 8 1325 1570 2199 5927 Selective Selective 16391 2ABL SER 173 E -10.743 9.445 -15.244 -4.872 6 1304 1639 2221 6264 Selective Selective 16392 2ABL GLU 174 T -10.053 9.021 -15.091 -4.976 6 1323 1863 2213 6448 Selective Selective 16393 2ABL SER 175 T -9.973 8.929 -15.312 -5.023 6 1351 2057 2199 6485 Selective Selective 16394 2ABL SER 176 T -9.956 8.967 -15.371 -5.042 6 1289 2191 2165 6451 Selective Selective 16395 2ABL PRO 177 T -9.961 8.964 -15.356 -5.043 6 1239 2311 2116 6400 Selective Selective 16396 2ABL GLY 178 T -10.131 8.818 -15.458 -5.115 6 1152 2236 2055 6370 Selective Selective 16397 2ABL GLN 179 T -11.04 8.782 -17.044 -5.447 6 1008 1985 1983 6256 Selective Selective 16398 2ABL ARG 180 T -11.896 10.394 -17.703 -5.778 8 849 1738 1958 6202 Gatekeeper Selective 16399 2ABL SER 181 E -12.746 10.844 -18.771 -6.013 8 717 1440 1904 6072 Gatekeeper Selective 16400 2ABL ILE 182 E -13.808 13.204 -19.048 -6.056 8 890 1365 1802 5789 Gatekeeper Selective 16401 2ABL SER 183 E -14.526 16.368 -18.225 -5.604 8 1115 1332 1696 5344 Selective Selective 16402 2ABL LEU 184 E -12.238 13.748 -15.753 -5.567 8 1306 1247 1575 4783 Selective Selective 16403 2ABL ARG 185 E -10.956 10.599 -15.389 -5.182 6 1515 1173 1467 4186 Permissive Selective 16404 2ABL TYR 186 E -7.764 10.269 -10.708 -4.81 4 1628 1089 1357 3666 Permissive Selective 16405 2ABL GLU 187 E -7.693 10.137 -10.922 -4.785 4 1723 860 1261 3210 Permissive Selective 16406 2ABL GLY 188 T -7.685 10.154 -10.954 -4.787 4 1799 715 1187 2793 Permissive Selective 16407 2ABL ARG 189 T -7.686 10.153 -10.952 -4.787 4 2203 872 1130 2439 Permissive Selective 16408 2ABL VAL 190 E -7.688 10.152 -10.936 -4.786 4 2609 1031 1101 2142 Permissive Selective 16409 2ABL TYR 191 E -8.917 9.351 -12.676 -4.627 5 3027 1234 1091 1855 Selective Selective 16410 2ABL HIS 192 E -10.279 11.544 -13.483 -4.951 7 3199 1306 1099 1675 Selective Selective 16411 2ABL TYR 193 E -12.343 14.794 -15.183 -5.178 8 3300 1393 1080 1432 Selective Selective 16412 2ABL ARG 194 E -10.001 11.574 -12.818 -4.655 7 3203 1386 1052 1160 Selective Selective 16413 2ABL ILE 195 E -7.275 9.68 -9.556 -4.146 4 2973 1340 1029 926 Selective Selective 16414 2ABL ASN 196 E -6.632 7.263 -10.681 -4.32 3 2772 1285 1013 779 Selective Selective 16415 2ABL THR 197 E -4.372 4.252 -8.756 -4.17 2 2615 1233 997 651 Selective Selective 16416 2ABL ALA 198 E -4.24 4.355 -9.019 -4.263 2 2474 1205 975 561 Permissive Permissive 16417 2ABL SER 199 T -4.237 4.367 -9.032 -4.265 2 2432 1169 938 499 Permissive Inactive 16418 2ABL ASP 200 T -4.24 4.336 -9.029 -4.266 2 2304 1127 892 432 Permissive Inactive 16419 2ABL GLY 201 T -4.247 4.316 -9.002 -4.264 2 2133 1043 843 369 Permissive Inactive 16420 2ABL LYS 202 T -5.18 4.816 -10.1 -4.632 2 1706 726 787 318 Permissive Inactive 16421 2ABL LEU 203 C -7.411 7.096 -11.911 -4.754 3 1306 447 722 258 Permissive Inactive 16422 2ABL TYR 204 E -10.186 11.449 -14.077 -5.098 6 894 238 658 194 Inactive Inactive 16423 2ABL VAL 205 E -8.287 7.588 -12.439 -4.465 5 727 159 591 112 Inactive Inactive 16424 2ABL SER 206 T -8.086 7.538 -12.759 -4.565 5 685 69 536 77 Inactive Inactive 16425 2ABL SER 207 T -8.073 7.604 -12.79 -4.575 5 697 49 507 89 Inactive Inactive 16426 2ABL GLU 208 T -8.071 7.613 -12.798 -4.577 5 691 32 518 119 Inactive Inactive 16427 2ABL SER 209 T -8.084 7.542 -12.776 -4.571 5 661 28 533 157 Inactive Inactive 16428 2ABL ARG 210 T -8.772 7.716 -13.624 -4.837 5 607 24 546 193 Inactive Inactive 16429 2ABL PHE 211 E -9.264 13.934 -11.146 -4.805 7 521 22 561 244 Inactive Inactive 16430 2ABL ASN 212 E -6.666 10.895 -8.545 -4.463 4 430 14 575 275 Inactive Inactive 16431 2ABL THR 213 C -6.649 10.999 -8.564 -4.461 4 377 6 597 299 Inactive Inactive 16432 2ABL LEU 214 C -6.648 11.008 -8.566 -4.461 4 362 5 622 323 Inactive Inactive 16433 2ABL ALA 215 H -6.647 11.012 -8.571 -4.461 4 352 6 670 343 Inactive Inactive 16434 2ABL GLU 216 H -6.652 10.976 -8.554 -4.458 4 305 1 726 359 Inactive Inactive 16435 2ABL LEU 217 H -8.671 14.481 -9.436 -4.398 4 321 13 780 378 Inactive Inactive 16436 2ABL VAL 218 H -10.027 15.16 -11.265 -4.467 7 325 13 843 393 Inactive Inactive 16437 2ABL HIS 219 H -10.358 13.506 -12.327 -4.494 7 269 13 877 395 Inactive Inactive 16438 2ABL HIS 220 H -9.912 9.724 -13.753 -4.637 6 259 15 908 382 Inactive Inactive 16439 2ABL HIS 221 H -9.269 9.61 -12.993 -4.421 5 254 15 926 357 Inactive Inactive 16440 2ABL SER 222 H -7.978 6.651 -12.522 -4.272 5 316 90 966 336 Inactive Inactive 16441 2ABL THR 223 H -5.54 5.247 -9.854 -4.27 2 330 212 1026 338 Inactive Permissive 16442 2ABL VAL 224 H -5.497 5.51 -9.878 -4.289 2 370 348 1094 324 Inactive Permissive 16443 2ABL ALA 225 C -5.471 5.742 -9.859 -4.301 2 - - - - - - 16444 2ABL ASP 226 T -5.411 6.4 -9.716 -4.364 2 - - - - - - 16445 2ABL GLY 227 T -5.127 9.391 -8.099 -4.419 2 - - - - - - 16446 2ABL LEU 228 T -5.514 13.48 -6.451 -4.558 4 - - - - - - 16447 2ABL ILE 229 T -5.55 13.877 -6.19 -4.569 4 - - - - - - 16448 2ABL THR 230 T -5.569 14.112 -6.08 -4.611 4 - - - - - - 16449 2ABL THR 231 T -5.58 14.374 -6.031 -4.686 4 - - - - - - 16450 2ABL LEU 232 T -5.231 12.574 -6.601 -4.872 4 - - - - - - 16451 2ABL HIS 233 C -3.381 8.027 -5.208 -3.898 1 - - - - - - 16452 2ABL TYR 234 C -2.508 6.474 -4.394 -3.222 1 - - - - - - 16453 2ABL PRO 235 C -2.508 6.474 -4.394 -3.222 1 - - - - - - 16454 2ABL ALA 236 C -2.508 6.474 -4.394 -3.222 1 - - - - - - 16455 2ABL PRO 237 C -2.508 6.474 -4.394 -3.222 1 - - - - - - 16456 2CPL VAL 2 C -6.212 6.11 -9.739 -3.784 2 - - - - - - 16457 2CPL ASN 3 C -6.212 6.11 -9.739 -3.784 2 - - - - - - 16458 2CPL PRO 4 C -6.212 6.11 -9.739 -3.784 2 - - - - - - 16459 2CPL THR 5 E -6.212 6.11 -9.739 -3.784 2 - - - - - - 16460 2CPL VAL 6 E -8.151 9.098 -11.466 -4.481 5 - - - - - - 16461 2CPL PHE 7 E -11.964 14.715 -14.942 -5.602 8 - - - - - - 16462 2CPL PHE 8 E -13.129 17.815 -14.178 -4.703 7 - - - - - - 16463 2CPL ASP 9 E -10.538 15.121 -16.292 -8.188 8 - - - - - - 16464 2CPL ILE 10 E -8.776 11.371 -11.684 -4.711 5 - - - - - - 16465 2CPL ALA 11 E -5.531 7.379 -8.649 -4.218 2 - - - - - - 16466 2CPL VAL 12 E -3.195 5.84 -6.313 -4.057 1 - - - - - - 16467 2CPL ASP 13 T -3.061 5.956 -6.491 -4.085 2 - - - - - - 16468 2CPL GLY 14 T -2.905 5.927 -6.613 -4.075 2 2138 6311 1308 969 Selective Permissive 16469 2CPL GLU 15 E -2.905 5.93 -6.616 -4.075 2 1989 5977 1297 1050 Selective Permissive 16470 2CPL PRO 16 E -2.912 5.912 -6.591 -4.073 2 1864 5706 1295 1107 Selective Permissive 16471 2CPL LEU 17 E -3.472 6.023 -7.04 -4.067 2 1553 4797 1285 1152 Selective Permissive 16472 2CPL GLY 18 E -3.776 5.782 -6.958 -3.997 2 1338 4446 1282 1167 Selective Permissive 16473 2CPL ARG 19 E -6.805 8.661 -9.67 -4.013 4 989 3655 1259 1182 Selective Permissive 16474 2CPL VAL 20 E -7.926 11.365 -9.249 -3.891 4 861 3074 1242 1203 Gatekeeper Permissive 16475 2CPL SER 21 E -10.634 12.926 -13.111 -4.675 7 933 2909 1243 1278 Gatekeeper Permissive 16476 2CPL PHE 22 E -12.572 15.67 -14.646 -4.829 8 1074 2813 1244 1400 Selective Permissive 16477 2CPL GLU 23 E -12.405 16.2 -14.716 -5.347 8 1044 2481 1243 1524 Selective Permissive 16478 2CPL LEU 24 E -10.064 14.949 -11.304 -4.793 7 1094 2376 1238 1604 Selective Permissive 16479 2CPL PHE 25 T -9.081 13.691 -10.795 -4.635 7 1122 2314 1238 1695 Selective Selective 16480 2CPL ALA 26 T -8.024 9.414 -11.097 -4.156 4 998 1880 1221 1771 Permissive Gatekeeper 16481 2CPL ASP 27 T -8.004 9.45 -11.186 -4.184 5 925 1578 1216 1853 Inactive Gatekeeper 16482 2CPL LYS 28 T -8.003 9.454 -11.19 -4.186 5 931 1542 1236 2039 Inactive Selective 16483 2CPL VAL 29 T -8.019 9.299 -11.198 -4.169 5 917 1476 1276 2312 Inactive Selective 16484 2CPL PRO 30 H -8.104 8.662 -11.285 -4.103 5 956 1514 1346 2715 Inactive Selective 16485 2CPL LYS 31 H -9.926 10.949 -13.923 -5.015 6 933 1372 1438 3262 Inactive Selective 16486 2CPL THR 32 H -10.974 13.096 -14.29 -4.917 7 903 1241 1536 3820 Inactive Selective 16487 2CPL ALA 33 H -11.15 12.846 -14.161 -4.79 7 956 1132 1615 4304 Inactive Selective 16488 2CPL GLU 34 H -12.083 11.487 -16.546 -5.326 8 881 958 1687 4755 Inactive Selective 16489 2CPL ASN 35 H -13.705 14.236 -18.139 -5.794 8 764 803 1744 5028 Inactive Selective 16490 2CPL PHE 36 H -13.895 14.976 -17.446 -5.65 8 761 835 1826 5236 Inactive Selective 16491 2CPL ARG 37 H -15.027 14.773 -19.984 -5.857 8 690 691 1857 5318 Inactive Selective 16492 2CPL ALA 38 H -10.511 11.31 -13.849 -4.872 7 637 589 1852 5272 Inactive Selective 16493 2CPL LEU 39 H -10.022 10.493 -14.576 -5.197 6 617 513 1857 5184 Inactive Selective 16494 2CPL SER 40 H -8.714 8.226 -14.382 -5.599 6 589 589 1869 5168 Inactive Selective 16495 2CPL THR 41 H -5.175 6.112 -10.423 -5.438 3 578 655 1894 5153 Inactive Selective 16496 2CPL GLY 42 T -5.04 6.563 -10.405 -5.443 3 562 736 1899 5118 Inactive Selective 16497 2CPL GLU 43 T -4.991 6.8 -10.4 -5.445 3 543 756 1881 5021 Inactive Selective 16498 2CPL LYS 44 T -4.99 6.807 -10.4 -5.445 3 524 826 1829 4782 Inactive Selective 16499 2CPL GLY 45 T -4.991 6.806 -10.394 -5.444 3 504 938 1785 4530 Inactive Selective 16500 2CPL PHE 46 C -5.77 8.709 -10.338 -5.461 3 393 1093 1718 4303 Inactive Selective 16501 2CPL GLY 47 C -6.48 9.618 -10.369 -5.469 3 423 1359 1659 4070 Inactive Selective 16502 2CPL TYR 48 T -8.862 13.825 -11.957 -5.575 7 407 1514 1603 3969 Inactive Selective 16503 2CPL LYS 49 T -9.546 11.982 -13.89 -5.59 6 416 1532 1517 3905 Inactive Selective 16504 2CPL GLY 50 T -9.735 11.169 -14.259 -5.603 6 436 1772 1464 3994 Inactive Selective 16505 2CPL SER 51 E -9.788 10.839 -14.273 -5.59 6 484 2095 1437 4260 Inactive Selective 16506 2CPL CYS 52 E -11.507 12.065 -16.475 -5.724 8 522 2556 1419 4559 Gatekeeper Selective 16507 2CPL PHE 53 E -11.737 12.411 -16.125 -5.641 8 605 3159 1377 4715 Gatekeeper Selective 16508 2CPL HIS 54 E -12.525 15.621 -14.914 -4.921 8 694 3553 1323 4689 Gatekeeper Selective 16509 2CPL ARG 55 E -10.013 12.848 -11.497 -4.168 7 705 3936 1263 4531 Gatekeeper Selective 16510 2CPL ILE 56 E -8.854 13.431 -10.098 -4.263 4 726 4365 1220 4331 Gatekeeper Gatekeeper 16511 2CPL ILE 57 E -8.626 13.284 -10.548 -4.484 7 740 4601 1193 4179 Gatekeeper Gatekeeper 16512 2CPL PRO 58 T -8.599 13.235 -10.697 -4.523 7 741 4699 1193 4031 Gatekeeper Gatekeeper 16513 2CPL GLY 59 T -8.599 13.233 -10.697 -4.524 7 742 4647 1207 3884 Gatekeeper Gatekeeper 16514 2CPL PHE 60 T -8.656 13.275 -10.62 -4.56 7 724 4593 1221 3748 Gatekeeper Gatekeeper 16515 2CPL MET 61 E -9.215 12.856 -11.868 -5.017 7 791 4561 1216 3588 Gatekeeper Gatekeeper 16516 2CPL CYS 62 E -10.368 11.966 -14.373 -5.44 6 948 4792 1225 3421 Gatekeeper Gatekeeper 16517 2CPL GLN 63 E -11.616 10.275 -18.353 -6.183 8 1292 5041 1229 3223 Selective Gatekeeper 16518 2CPL GLY 64 E -10.234 11.78 -14.624 -5.685 6 1670 5209 1213 2876 Selective Gatekeeper 16519 2CPL GLY 65 C -9.787 12.383 -14.001 -5.57 6 1930 5086 1207 2520 Selective Gatekeeper 16520 2CPL ASP 66 T -9.563 12.128 -14.072 -5.53 6 2198 4588 1204 2224 Selective Gatekeeper 16521 2CPL PHE 67 T -8.043 10.717 -11.223 -4.848 5 2616 4508 1180 2020 Selective Gatekeeper 16522 2CPL THR 68 T -6.555 6.682 -11.33 -4.814 3 2759 4274 1180 1918 Selective Gatekeeper 16523 2CPL ARG 69 T -5.53 5.021 -10.644 -4.508 3 2951 4071 1184 1802 Selective Gatekeeper 16524 2CPL HIS 70 T -5.385 4.803 -11.066 -4.651 3 3148 3994 1184 1657 Selective Gatekeeper 16525 2CPL ASN 71 C -4.628 3.85 -11.157 -5.136 3 3320 4368 1170 1505 Selective Inactive 16526 2CPL GLY 72 C -4.575 4.019 -11.215 -5.18 3 3390 4521 1175 1374 Selective Inactive 16527 2CPL THR 73 C -4.592 3.961 -11.219 -5.194 3 3350 4318 1190 1313 Selective Inactive 16528 2CPL GLY 74 C -4.701 3.824 -11.365 -5.346 3 3311 4171 1227 1279 Selective Inactive 16529 2CPL GLY 75 C -4.743 3.81 -11.275 -5.359 3 3113 3797 1248 1274 Selective Permissive 16530 2CPL LYS 76 C -5.972 6.285 -11.847 -5.613 3 2745 3303 1255 1284 Selective Permissive 16531 2CPL SER 77 B -7.235 10.355 -11.842 -5.469 3 2326 2790 1266 1343 Selective Permissive 16532 2CPL ILE 78 T -6.342 10.703 -9.601 -5.198 4 2056 2472 1260 1382 Selective Permissive 16533 2CPL TYR 79 T -6.349 10.71 -9.564 -5.196 4 1709 2223 1236 1431 Selective Permissive 16534 2CPL GLY 80 B -6.346 10.703 -9.585 -5.197 4 1250 1810 1236 1508 Permissive Permissive 16535 2CPL GLU 81 C -6.369 10.597 -9.544 -5.185 4 1125 1557 1232 1560 Permissive Inactive 16536 2CPL LYS 82 C -6.421 10.56 -9.407 -5.179 4 926 1295 1218 1625 Inactive Gatekeeper 16537 2CPL PHE 83 B -9.042 11.341 -13.383 -5.584 6 772 1260 1222 1689 Inactive Gatekeeper 16538 2CPL GLU 84 C -9.447 10.063 -13.922 -5.466 6 949 1056 1234 1712 Inactive Selective 16539 2CPL ASP 85 C -11.562 11.938 -16.403 -5.539 8 1095 1183 1218 1732 Permissive Gatekeeper 16540 2CPL GLU 86 C -10.571 13.378 -13.447 -5.136 7 1233 1638 1199 1649 Permissive Gatekeeper 16541 2CPL ASN 87 C -9.071 13.034 -11.132 -4.741 7 1348 2140 1192 1584 Selective Inactive 16542 2CPL PHE 88 C -8.996 13.328 -11.166 -4.769 7 1683 2764 1178 1499 Selective Inactive 16543 2CPL ILE 89 C -8.23 12.346 -10.736 -4.73 4 1790 3069 1180 1385 Selective Inactive 16544 2CPL LEU 90 C -8.033 12.303 -10.931 -4.843 4 1839 3241 1192 1292 Selective Inactive 16545 2CPL LYS 91 C -6.824 10.393 -9.925 -4.854 4 1875 3493 1209 1209 Selective Inactive 16546 2CPL HIS 92 C -6.06 9.349 -9.69 -4.894 3 1990 3963 1238 1119 Selective Permissive 16547 2CPL THR 93 C -4.866 8.464 -7.725 -4.332 2 2400 5114 1238 992 Selective Permissive 16548 2CPL GLY 94 T -4.864 8.471 -7.73 -4.331 2 2730 6340 1223 880 Selective Inactive 16549 2CPL PRO 95 T -4.864 8.467 -7.726 -4.33 2 2896 7248 1210 759 Selective Inactive 16550 2CPL GLY 96 T -4.884 8.413 -7.658 -4.312 2 2892 7710 1177 656 Selective Inactive 16551 2CPL ILE 97 E -4.946 8.349 -7.44 -4.246 2 2806 8321 1132 593 Selective Inactive 16552 2CPL LEU 98 E -7.861 11.081 -9.858 -4.264 4 2809 8961 1134 575 Selective Inactive 16553 2CPL SER 99 E -9.857 12.283 -11.846 -4.353 7 2947 9531 1134 648 Selective Inactive 16554 2CPL MET 100 E -10.103 8.493 -15.515 -5.385 6 3092 10052 1106 731 Selective Inactive 16555 2CPL ALA 101 E -6.636 4.585 -11.947 -4.535 3 3313 10895 1109 861 Selective Inactive 16556 2CPL ASN 102 E -6.026 4.214 -12.198 -4.801 3 3892 12044 1111 1031 Selective Inactive 16557 2CPL ALA 103 C -4.449 4.712 -9.252 -4.51 2 4414 13269 1118 1222 Selective Inactive 16558 2CPL GLY 104 T -4.449 4.714 -9.258 -4.511 2 4862 14098 1154 1462 Selective Inactive 16559 2CPL PRO 105 T -4.448 4.715 -9.259 -4.511 2 5036 14143 1207 1735 Selective Gatekeeper 16560 2CPL ASN 106 T -4.463 4.719 -9.191 -4.51 2 4826 13110 1289 2052 Selective Selective 16561 2CPL THR 107 T -4.491 4.753 -9.038 -4.489 2 4663 11907 1366 2399 Selective Selective 16562 2CPL ASN 108 E -8.276 7.102 -14.197 -5.374 6 4660 11009 1438 2781 Selective Selective 16563 2CPL GLY 109 E -9.226 8.297 -14.426 -5.361 6 4663 10377 1506 3134 Selective Selective 16564 2CPL SER 110 E -11.852 9.809 -18.13 -6.022 8 4452 9428 1565 3470 Selective Selective 16565 2CPL GLN 111 E -13.186 10.63 -19.74 -6.321 8 4259 8424 1590 3697 Selective Selective 16566 2CPL PHE 112 E -13.415 20.78 -13.624 -5.44 8 4012 7397 1615 3818 Selective Selective 16567 2CPL PHE 113 E -12.171 17.591 -13.192 -5.049 7 3716 6333 1630 3803 Selective Selective 16568 2CPL ILE 114 E -10.409 13.517 -12.814 -4.964 7 3142 4856 1607 3740 Selective Selective 16569 2CPL CYS 115 E -9.842 12.241 -13.364 -5.126 7 2455 3395 1593 3647 Selective Selective 16570 2CPL THR 116 C -9.399 11.782 -13.282 -5.141 6 1872 1986 1583 3501 Permissive Selective 16571 2CPL ALA 117 C -9.164 11.017 -13.523 -5.076 6 1361 875 1555 3332 Permissive Selective 16572 2CPL LYS 118 C -9.022 11.158 -13.462 -5.102 6 1042 347 1517 3110 Permissive Selective 16573 2CPL THR 119 C -9.015 11.026 -13.602 -5.159 6 771 219 1463 2822 Inactive Selective 16574 2CPL GLU 120 G -8.819 10.797 -13.547 -5.265 6 559 198 1415 2482 Inactive Selective 16575 2CPL TRP 121 G -8.529 10.62 -13.054 -5.212 6 355 172 1352 2094 Inactive Selective 16576 2CPL LEU 122 G -8.541 10.788 -13.014 -5.249 6 290 148 1287 1711 Inactive Selective 16577 2CPL ASP 123 T -8.594 10.682 -13.02 -5.254 6 292 128 1228 1357 Inactive Inactive 16578 2CPL GLY 124 T -8.614 10.66 -12.963 -5.228 6 270 94 1161 1056 Inactive Inactive 16579 2CPL LYS 125 T -8.806 10.704 -12.762 -5.144 5 267 66 1094 807 Inactive Inactive 16580 2CPL HIS 126 T -9.768 11.46 -13.813 -5.164 6 293 81 1038 665 Inactive Inactive 16581 2CPL VAL 127 C -10.444 13.652 -13.395 -4.762 7 346 115 998 545 Inactive Inactive 16582 2CPL VAL 128 E -10.274 15.879 -11.613 -4.517 7 362 124 941 429 Inactive Inactive 16583 2CPL PHE 129 E -9.67 15.847 -11.237 -5.081 7 369 129 882 338 Inactive Inactive 16584 2CPL GLY 130 E -8.352 10.252 -12.441 -5.281 5 370 134 814 234 Inactive Inactive 16585 2CPL LYS 131 E -7.584 9.711 -12 -5.324 5 377 135 757 149 Inactive Inactive 16586 2CPL VAL 132 E -7.443 9.774 -12.078 -5.334 5 390 136 701 101 Inactive Inactive 16587 2CPL LYS 133 E -7.346 9.543 -12.359 -5.407 5 438 137 639 66 Inactive Inactive 16588 2CPL GLU 134 E -7.193 9.274 -12.28 -5.274 5 439 132 609 52 Inactive Inactive 16589 2CPL GLY 135 C -7.207 9.425 -12.094 -5.186 3 436 132 584 46 Inactive Inactive 16590 2CPL MET 136 H -7.477 9.42 -12.255 -5.071 5 357 108 561 26 Inactive Inactive 16591 2CPL ASN 137 H -7.618 9.264 -12.234 -4.973 5 331 106 554 24 Inactive Inactive 16592 2CPL ILE 138 H -7.784 9.537 -11.707 -4.71 5 298 129 559 26 Inactive Inactive 16593 2CPL VAL 139 H -8.4 11.088 -11.212 -4.469 5 280 130 570 29 Inactive Inactive 16594 2CPL GLU 140 H -9.267 11.106 -12.505 -4.486 5 276 134 605 45 Inactive Inactive 16595 2CPL ALA 141 H -9.853 11.1 -13.082 -4.476 7 310 201 651 73 Inactive Inactive 16596 2CPL MET 142 H -10.754 12.812 -14.353 -5.029 7 413 301 685 97 Inactive Inactive 16597 2CPL GLU 143 H -10.804 12.453 -14.549 -5.059 6 495 401 714 110 Inactive Inactive 16598 2CPL ARG 144 H -10.17 10.224 -13.877 -4.3 5 545 498 741 133 Inactive Inactive 16599 2CPL PHE 145 C -9.008 8.505 -12.98 -4.35 5 576 593 799 176 Inactive Inactive 16600 2CPL GLY 146 C -5.435 4.017 -10.293 -4.222 2 642 773 895 245 Inactive Inactive 16601 2CPL SER 147 T -5.373 3.947 -10.48 -4.208 2 796 877 981 349 Inactive Inactive 16602 2CPL ARG 148 T -5.221 4.252 -10.592 -4.298 2 871 948 1077 495 Inactive Inactive 16603 2CPL ASN 149 T -5.215 4.259 -10.625 -4.306 2 989 1000 1186 693 Permissive Inactive 16604 2CPL GLY 150 T -5.214 4.262 -10.634 -4.309 2 1097 1057 1312 938 Permissive Permissive 16605 2CPL LYS 151 C -5.901 4.827 -11.401 -4.503 3 1137 1046 1425 1238 Permissive Permissive 16606 2CPL THR 152 T -6.06 5.384 -11.166 -4.646 3 1131 1035 1555 1529 Permissive Permissive 16607 2CPL SER 153 T -7.641 6.763 -13.847 -5.191 3 - - - - - - 16608 2CPL LYS 154 T -8.119 8.905 -13.413 -5.259 6 - - - - - - 16609 2CPL LYS 155 T -8.552 11.42 -12.817 -5.445 6 - - - - - - 16610 2CPL ILE 156 E -8.622 12.063 -12.403 -5.42 7 - - - - - - 16611 2CPL THR 157 E -9.536 11.931 -13.27 -4.884 7 - - - - - - 16612 2CPL ILE 158 E -9.991 12.87 -13.011 -4.648 7 - - - - - - 16613 2CPL ALA 159 E -10.074 12.698 -13.042 -4.642 7 - - - - - - 16614 2CPL ASP 160 E -10.085 12.494 -13.529 -4.937 7 - - - - - - 16615 2CPL CYS 161 E -9.187 9.925 -14.267 -5.704 6 - - - - - - 16616 2CPL GLY 162 E -6.589 7.988 -10.202 -4.579 3 - - - - - - 16617 2CPL GLN 163 E -6.589 7.988 -10.202 -4.579 3 - - - - - - 16618 2CPL LEU 164 C -6.589 7.988 -10.202 -4.579 3 - - - - - - 16619 2CPL GLU 165 C -6.589 7.988 -10.202 -4.579 3 - - - - - - 16620 2FCB ALA 6 C -3.873 4.643 -6.878 -3.219 1 - - - - - - 16621 2FCB PRO 7 C -3.873 4.643 -6.878 -3.219 1 - - - - - - 16622 2FCB PRO 8 C -3.873 4.643 -6.878 -3.219 1 - - - - - - 16623 2FCB LYS 9 B -3.873 4.643 -6.878 -3.219 1 - - - - - - 16624 2FCB ALA 10 C -5.336 6.618 -8.373 -3.822 2 - - - - - - 16625 2FCB VAL 11 E -7.226 8.065 -11.083 -4.643 3 - - - - - - 16626 2FCB LEU 12 E -9.245 12.561 -12.848 -5.586 7 - - - - - - 16627 2FCB LYS 13 E -10.209 12.027 -14.002 -4.771 7 - - - - - - 16628 2FCB LEU 14 E -9.524 13.588 -11.953 -4.758 7 - - - - - - 16629 2FCB GLU 15 E -9.534 13.616 -11.931 -4.764 7 - - - - - - 16630 2FCB PRO 16 T -9.58 13.685 -11.795 -4.759 7 - - - - - - 16631 2FCB GLN 17 T -9.619 13.716 -11.699 -4.774 7 - - - - - - 16632 2FCB TRP 18 T -9.708 14.28 -11.243 -4.785 7 309 2181 1292 6968 Gatekeeper Selective 16633 2FCB ILE 19 T -11.463 14.25 -13.62 -4.752 7 208 1097 1281 7497 Gatekeeper Selective 16634 2FCB ASN 20 E -12.888 15.971 -15.741 -5.169 8 113 167 1305 7960 Inactive Selective 16635 2FCB VAL 21 E -13.073 15.206 -16.684 -5.302 8 111 24 1336 8251 Inactive Selective 16636 2FCB LEU 22 E -12.955 14.043 -17.327 -5.419 8 116 23 1360 8324 Inactive Selective 16637 2FCB GLN 23 T -12.619 12.218 -17.847 -5.455 8 121 23 1378 8206 Inactive Selective 16638 2FCB GLU 24 T -11.453 11.235 -15.826 -5.184 8 122 22 1406 7875 Inactive Selective 16639 2FCB ASP 25 E -11.326 11.637 -15.587 -5.069 8 130 35 1448 7406 Inactive Selective 16640 2FCB SER 26 E -10.637 13.259 -13.272 -4.633 7 128 46 1462 6773 Inactive Selective 16641 2FCB VAL 27 E -10.282 13.669 -12.868 -4.678 7 131 57 1468 6103 Inactive Selective 16642 2FCB THR 28 E -10.248 13.605 -13.002 -4.706 7 134 72 1453 5412 Inactive Selective 16643 2FCB LEU 29 E -9.736 12.183 -13.211 -4.887 7 138 115 1425 4716 Inactive Selective 16644 2FCB THR 30 E -8.396 8.821 -13.197 -5.153 6 120 172 1388 4024 Inactive Selective 16645 2FCB CYS 31 E -7.022 7.759 -11.752 -5.08 3 112 262 1338 3341 Inactive Selective 16646 2FCB ARG 32 E -5.774 7.311 -9.632 -4.501 2 177 305 1289 2611 Inactive Selective 16647 2FCB GLY 33 C -3.054 6.234 -6.142 -4.267 2 481 571 1244 1956 Inactive Selective 16648 2FCB THR 34 C -2.904 6.247 -6.329 -4.255 2 800 654 1194 1413 Inactive Inactive 16649 2FCB HIS 35 C -2.888 6.242 -6.393 -4.253 2 1023 716 1162 1025 Permissive Inactive 16650 2FCB SER 36 C -2.872 6.217 -6.462 -4.251 2 1265 814 1122 767 Permissive Inactive 16651 2FCB PRO 37 C -2.875 6.209 -6.448 -4.25 2 1535 978 1073 621 Selective Inactive 16652 2FCB GLU 38 T -3.662 6.102 -7.319 -4.163 2 1759 991 1015 547 Selective Inactive 16653 2FCB SER 39 T -4.594 5.628 -8.851 -4.152 2 1871 1010 969 555 Selective Inactive 16654 2FCB ASP 40 T -4.977 5.306 -9.07 -4.174 2 2041 1169 930 584 Selective Inactive 16655 2FCB SER 41 T -6.862 6.122 -11.783 -4.537 3 2234 1404 930 657 Selective Inactive 16656 2FCB ILE 42 C -8.024 8.574 -13.122 -5.317 6 2425 1577 936 734 Selective Inactive 16657 2FCB GLN 43 E -9.572 9.419 -13.917 -5.07 6 2635 1700 973 807 Selective Inactive 16658 2FCB TRP 44 E -12.398 15.859 -16.365 -6.26 8 2778 1783 1008 861 Selective Inactive 16659 2FCB PHE 45 E -8.799 8.365 -13.591 -5.161 6 2745 1937 1007 863 Selective Inactive 16660 2FCB HIS 46 E -5.809 6.739 -10.023 -4.753 3 2461 1884 1006 885 Selective Inactive 16661 2FCB ASN 47 T -5.62 7.121 -9.928 -4.685 3 2167 2041 1021 931 Selective Inactive 16662 2FCB GLY 48 T -5.191 7.192 -9.147 -4.308 2 1963 2092 1058 988 Selective Inactive 16663 2FCB ASN 49 E -4.816 7.032 -8.511 -3.994 2 1781 2170 1092 1079 Selective Inactive 16664 2FCB LEU 50 E -4.027 8.325 -6.286 -3.762 1 1578 2163 1136 1194 Selective Inactive 16665 2FCB ILE 51 T -3.941 8.368 -6.242 -3.728 1 1397 2209 1203 1332 Selective Inactive 16666 2FCB PRO 52 T -3.95 8.369 -6.196 -3.717 1 1329 2210 1262 1459 Selective Permissive 16667 2FCB THR 53 T -3.989 8.443 -6.045 -3.7 1 1171 2036 1316 1603 Selective Permissive 16668 2FCB HIS 54 T -4.062 8.65 -5.814 -3.707 1 1018 1822 1372 1704 Selective Permissive 16669 2FCB THR 55 C -4.963 8.161 -6.972 -3.81 2 924 1689 1430 1810 Selective Permissive 16670 2FCB GLN 56 T -7.703 6.831 -11.866 -4.319 5 838 1710 1474 1948 Gatekeeper Selective 16671 2FCB PRO 57 T -10.466 9.186 -14.746 -4.503 6 893 2017 1540 2177 Gatekeeper Selective 16672 2FCB SER 58 E -11.647 14.28 -14.99 -5.078 8 1407 2290 1620 2518 Selective Selective 16673 2FCB TYR 59 E -11.683 15.642 -14.272 -5.079 8 1875 2604 1696 2848 Selective Selective 16674 2FCB ARG 60 E -11.147 13.042 -14.751 -4.984 7 2076 2645 1758 3164 Selective Selective 16675 2FCB PHE 61 E -11.165 12.962 -14.77 -4.993 7 2286 2888 1793 3447 Selective Selective 16676 2FCB LYS 62 E -10.14 6.582 -16.612 -5.15 6 2588 3202 1831 3667 Selective Selective 16677 2FCB ALA 63 E -9.274 5.715 -15.999 -5.15 6 2772 3428 1883 3882 Selective Selective 16678 2FCB ASN 64 C -9.182 5.549 -16.244 -5.185 6 3083 3823 1912 4060 Selective Selective 16679 2FCB ASN 65 G -9.174 5.376 -16.372 -5.201 6 3296 4123 1950 4246 Selective Selective 16680 2FCB ASN 66 G -9.17 5.38 -16.391 -5.203 6 3434 4287 1980 4393 Selective Selective 16681 2FCB ASP 67 G -9.275 5.379 -16.282 -5.208 6 3470 4299 1993 4553 Selective Selective 16682 2FCB SER 68 C -10.166 4.755 -17.985 -5.404 6 3385 4224 2011 4638 Selective Selective 16683 2FCB GLY 69 E -11 5.349 -19 -5.517 6 3272 4030 2023 4664 Selective Selective 16684 2FCB GLU 70 E -11.822 9.144 -18.256 -5.614 8 3109 3568 2011 4573 Selective Selective 16685 2FCB TYR 71 E -12.365 13.506 -16.597 -5.805 8 2604 3255 1967 4310 Selective Selective 16686 2FCB THR 72 E -11.401 10.273 -17.579 -6.16 8 2145 2932 1893 3970 Selective Selective 16687 2FCB CYS 73 E -10.993 9.036 -18.332 -6.363 6 1937 2817 1792 3577 Selective Selective 16688 2FCB GLN 74 E -9.415 9.892 -15.267 -6.277 6 1702 2512 1684 3208 Selective Selective 16689 2FCB THR 75 T -8.713 9.273 -14.522 -5.895 6 1339 2046 1582 2858 Selective Selective 16690 2FCB GLY 76 T -8.647 9.185 -14.632 -5.861 6 1105 1736 1461 2495 Selective Selective 16691 2FCB GLN 77 T -8.652 9.184 -14.61 -5.858 6 786 1301 1354 2152 Gatekeeper Selective 16692 2FCB THR 78 T -8.643 9.207 -14.595 -5.839 6 546 989 1230 1810 Gatekeeper Permissive 16693 2FCB SER 79 B -8.281 8.856 -13.322 -5.168 6 412 832 1108 1500 Inactive Inactive 16694 2FCB LEU 80 C -8.159 9.526 -12.195 -4.694 5 370 807 989 1189 Inactive Inactive 16695 2FCB SER 81 C -7.907 9.431 -11.916 -4.567 5 429 852 867 968 Inactive Inactive 16696 2FCB ASP 82 C -7.778 9.973 -11.544 -4.473 5 509 899 754 838 Gatekeeper Inactive 16697 2FCB PRO 83 C -7.626 10.825 -10.883 -4.344 4 715 970 649 839 Gatekeeper Inactive 16698 2FCB VAL 84 E -7.745 11.389 -10.468 -4.227 4 782 817 588 992 Inactive Inactive 16699 2FCB HIS 85 E -7.891 11.723 -10.21 -4.159 4 803 614 565 1205 Inactive Inactive 16700 2FCB LEU 86 E -8.152 13.207 -9.374 -4.013 4 888 482 571 1466 Inactive Inactive 16701 2FCB THR 87 E -8.377 13.605 -9.318 -4.048 4 930 439 571 1697 Permissive Inactive 16702 2FCB VAL 88 E -9.366 13.409 -11.918 -4.604 7 954 427 578 1937 Permissive Gatekeeper 16703 2FCB LEU 89 E -9.518 12.953 -12.548 -4.838 7 951 360 592 2134 Permissive Gatekeeper 16704 2FCB SER 90 C -9.597 12.726 -12.838 -4.964 7 954 346 603 2348 Permissive Gatekeeper 16705 2FCB GLU 91 C -9.707 12.402 -13.05 -5.057 7 983 360 625 2464 Permissive Gatekeeper 16706 2FCB TRP 92 C -10.554 16.089 -12.868 -5.342 7 1032 409 664 2554 Permissive Gatekeeper 16707 2FCB LEU 93 E -10.768 16.781 -12.567 -5.353 7 1024 392 692 2628 Permissive Gatekeeper 16708 2FCB VAL 94 E -11.085 16.966 -12.474 -5.264 7 969 337 717 2662 Permissive Gatekeeper 16709 2FCB LEU 95 E -11.928 17.032 -14.179 -5.337 8 902 282 737 2632 Inactive Gatekeeper 16710 2FCB GLN 96 E -11.429 13.85 -14.809 -5.248 8 649 194 741 2490 Inactive Gatekeeper 16711 2FCB THR 97 C -8.272 12.513 -10.063 -4.697 4 560 196 741 2266 Inactive Gatekeeper 16712 2FCB PRO 98 C -8.236 12.573 -10.157 -4.697 4 530 212 728 2051 Inactive Gatekeeper 16713 2FCB HIS 99 C -8.23 12.581 -10.191 -4.702 4 453 207 724 1836 Inactive Inactive 16714 2FCB LEU 100 C -8.229 12.591 -10.201 -4.708 4 443 212 723 1676 Inactive Inactive 16715 2FCB GLU 101 E -8.227 12.596 -10.211 -4.712 4 452 209 728 1532 Inactive Inactive 16716 2FCB PHE 102 E -9.668 13.515 -12.498 -4.974 7 480 221 746 1469 Inactive Inactive 16717 2FCB GLN 103 T -8.263 9.806 -12.31 -5.232 5 559 239 750 1351 Inactive Inactive 16718 2FCB GLU 104 T -7.766 11.016 -11.361 -5.166 4 606 211 758 1352 Inactive Inactive 16719 2FCB GLY 105 T -6.528 11.529 -8.791 -4.771 4 628 159 777 1378 Inactive Inactive 16720 2FCB GLU 106 b -6.516 11.604 -8.796 -4.766 4 667 151 832 1448 Inactive Inactive 16721 2FCB THR 107 C -6.516 11.607 -8.795 -4.766 4 738 189 903 1588 Inactive Inactive 16722 2FCB ILE 108 E -6.546 11.71 -8.61 -4.741 4 778 236 993 1777 Inactive Inactive 16723 2FCB VAL 109 E -6.591 11.691 -8.448 -4.712 4 826 279 1090 1965 Inactive Gatekeeper 16724 2FCB LEU 110 E -8.8 15.3 -9.203 -4.545 4 858 300 1191 2184 Inactive Gatekeeper 16725 2FCB ARG 111 E -10.666 16.049 -11.38 -4.626 7 910 351 1296 2401 Permissive Selective 16726 2FCB CYS 112 E -12.175 14.994 -14.523 -4.986 8 926 376 1399 2611 Permissive Selective 16727 2FCB HIS 113 E -12.328 12.68 -17.421 -6.077 8 924 384 1495 2733 Permissive Selective 16728 2FCB SER 114 E -9.929 12.695 -13.718 -5.908 8 1000 540 1568 2753 Permissive Selective 16729 2FCB TRP 115 G -8.442 10.47 -12.648 -5.513 5 1110 726 1625 2678 Permissive Selective 16730 2FCB LYS 116 G -7.19 10.137 -10.924 -5.25 3 1181 829 1711 2686 Permissive Selective 16731 2FCB ASP 117 G -7.068 10.07 -10.972 -5.143 3 1277 1011 1820 2662 Selective Selective 16732 2FCB LYS 118 C -7.049 10.11 -10.997 -5.129 3 1445 1175 1892 2619 Selective Selective 16733 2FCB PRO 119 C -7.038 10.135 -10.968 -5.091 3 1693 1417 1939 2529 Selective Selective 16734 2FCB LEU 120 E -7.09 10.132 -10.821 -5.054 3 1915 1457 1956 2409 Selective Selective 16735 2FCB VAL 121 E -7.894 10.255 -11.208 -4.591 5 2176 1475 1919 2213 Selective Selective 16736 2FCB LYS 122 E -8.716 11.692 -11.289 -4.345 4 2299 1503 1889 2035 Selective Selective 16737 2FCB VAL 123 E -9.173 12.111 -10.724 -3.917 4 2438 1572 1839 1838 Selective Permissive 16738 2FCB THR 124 E -10.699 14.963 -11.774 -4.377 7 2560 1631 1764 1608 Selective Permissive 16739 2FCB PHE 125 E -12.028 16.828 -12.867 -4.634 7 2783 1747 1666 1347 Selective Permissive 16740 2FCB PHE 126 E -10.324 8.963 -15.956 -5.758 6 2891 1772 1556 1137 Selective Permissive 16741 2FCB GLN 127 E -7.637 6.088 -13.51 -5.365 3 2930 1737 1452 1006 Selective Permissive 16742 2FCB ASN 128 T -5.416 5.722 -10.321 -4.909 3 2939 1675 1343 927 Selective Permissive 16743 2FCB GLY 129 T -5.4 5.771 -10.371 -4.914 3 2779 1584 1204 796 Selective Inactive 16744 2FCB LYS 130 E -5.397 5.795 -10.38 -4.916 3 2594 1406 1041 659 Selective Inactive 16745 2FCB SER 131 E -5.396 5.804 -10.383 -4.916 3 2339 1246 897 531 Selective Inactive 16746 2FCB LYS 132 E -5.408 5.81 -10.316 -4.906 3 2028 1071 755 422 Selective Inactive 16747 2FCB LYS 133 E -7.373 8.417 -12.267 -5.101 5 1711 1031 626 294 Selective Inactive 16748 2FCB PHE 134 E -8.049 10.141 -12.414 -4.97 5 1388 1067 548 211 Selective Inactive 16749 2FCB SER 135 E -8.288 9.363 -12.751 -4.6 5 1214 1142 466 137 Selective Inactive 16750 2FCB ARG 136 T -7.953 7.384 -12.531 -4.125 5 1022 1110 395 73 Selective Inactive 16751 2FCB SER 137 T -8.071 6.733 -12.59 -3.959 5 827 1076 345 36 Gatekeeper Inactive 16752 2FCB ASP 138 T -8.091 6.691 -12.56 -3.958 5 560 953 322 28 Gatekeeper Inactive 16753 2FCB PRO 139 C -8.168 6.567 -12.494 -3.942 5 422 955 327 29 Gatekeeper Inactive 16754 2FCB ASN 140 E -8.236 6.965 -12.315 -4.022 5 267 861 334 43 Inactive Inactive 16755 2FCB PHE 141 E -7.983 13.212 -8.953 -4.278 4 112 814 379 75 Inactive Inactive 16756 2FCB SER 142 E -6.782 10.462 -8.365 -3.801 4 80 799 459 142 Inactive Inactive 16757 2FCB ILE 143 E -6.728 10.337 -8.605 -3.837 4 103 821 540 271 Inactive Inactive 16758 2FCB PRO 144 T -6.714 10.242 -8.721 -3.848 4 138 878 650 479 Gatekeeper Inactive 16759 2FCB GLN 145 T -6.713 10.208 -8.741 -3.848 4 160 815 770 716 Inactive Inactive 16760 2FCB ALA 146 b -6.782 9.829 -8.749 -3.799 4 195 782 904 981 Inactive Inactive 16761 2FCB ASN 147 C -7.982 8.394 -11.873 -4.258 5 280 725 1025 1248 Inactive Inactive 16762 2FCB HIS 148 G -8.766 6.52 -13.984 -4.38 5 294 583 1152 1549 Inactive Inactive 16763 2FCB SER 149 G -9.64 6.356 -15.48 -4.547 6 370 562 1286 1890 Inactive Permissive 16764 2FCB HIS 150 G -10.394 6.68 -16.398 -4.706 6 369 502 1400 2197 Inactive Selective 16765 2FCB SER 151 C -11.267 5.903 -18.394 -5.023 6 379 490 1498 2451 Inactive Selective 16766 2FCB GLY 152 E -11.922 6.469 -19.227 -5.234 6 383 474 1586 2659 Inactive Selective 16767 2FCB ASP 153 E -12.769 10.568 -19.078 -5.654 8 417 569 1667 2834 Inactive Selective 16768 2FCB TYR 154 E -12.47 13.804 -16.978 -5.809 8 455 594 1711 2925 Inactive Selective 16769 2FCB HIS 155 E -11.734 11.143 -17.465 -5.891 8 475 599 1695 2913 Inactive Selective 16770 2FCB CYS 156 E -10.799 11.979 -16.286 -6.169 8 496 600 1659 2813 Inactive Selective 16771 2FCB THR 157 E -9.252 10.855 -13.48 -5.435 6 497 624 1584 2622 Inactive Selective 16772 2FCB GLY 158 E -7.224 7.682 -11.629 -4.889 3 507 736 1513 2394 Inactive Selective 16773 2FCB ASN 159 E -5.585 8.299 -9.001 -4.703 2 483 762 1436 2143 Inactive Selective 16774 2FCB ILE 160 E -3.512 7.974 -5.795 -4.197 2 423 773 1363 1890 Inactive Permissive 16775 2FCB GLY 161 T -3.503 7.981 -5.843 -4.201 2 444 795 1289 1609 Inactive Permissive 16776 2FCB TYR 162 T -3.502 7.983 -5.848 -4.201 2 524 897 1211 1290 Gatekeeper Inactive 16777 2FCB THR 163 E -3.503 7.984 -5.837 -4.2 2 572 878 1148 1015 Gatekeeper Inactive 16778 2FCB LEU 164 E -3.52 7.972 -5.75 -4.185 2 637 894 1102 795 Gatekeeper Inactive 16779 2FCB TYR 165 E -5.943 8.499 -9.009 -4.419 2 738 1197 1064 617 Gatekeeper Inactive 16780 2FCB SER 166 E -7.44 9.861 -10.263 -4.397 4 - - - - - - 16781 2FCB SER 167 C -8.193 9.376 -11.972 -4.474 5 - - - - - - 16782 2FCB LYS 168 B -7.924 10.417 -11.057 -4.319 4 - - - - - - 16783 2FCB PRO 169 C -7.226 12.115 -8.85 -4.089 4 - - - - - - 16784 2FCB VAL 170 E -7.198 12.205 -8.852 -4.079 4 - - - - - - 16785 2FCB THR 171 E -7.222 12.352 -8.702 -4.07 4 - - - - - - 16786 2FCB ILE 172 E -7.289 12.891 -8.358 -4.068 4 - - - - - - 16787 2FCB THR 173 E -6.852 11.376 -9.292 -4.551 4 - - - - - - 16788 2FCB VAL 174 E -5.708 8.504 -8.15 -3.95 2 - - - - - - 16789 2FCB GLN 175 C -3.861 5.5 -6.384 -3.263 1 - - - - - - 16790 2FCB ALA 176 C -3.861 5.5 -6.384 -3.263 1 - - - - - - 16791 2FCB PRO 177 C -3.861 5.5 -6.384 -3.263 1 - - - - - - 16792 2FCB ALA 178 C -3.861 5.5 -6.384 -3.263 1 - - - - - - 16793 2FHA THR 5 C -3.023 2.631 -6.691 -3.268 1 - - - - - - 16794 2FHA SER 6 T -3.023 2.631 -6.691 -3.268 1 - - - - - - 16795 2FHA GLN 7 T -3.023 2.631 -6.691 -3.268 1 - - - - - - 16796 2FHA VAL 8 T -3.023 2.631 -6.691 -3.268 1 - - - - - - 16797 2FHA ARG 9 T -6.061 4.45 -11.464 -4.469 3 - - - - - - 16798 2FHA GLN 10 T -7.218 4.905 -13.483 -5.23 3 - - - - - - 16799 2FHA ASN 11 T -9.233 5.427 -17.283 -6.29 6 - - - - - - 16800 2FHA TYR 12 T -10.83 11.389 -16.779 -6.252 8 - - - - - - 16801 2FHA HIS 13 C -10.61 10.834 -16.734 -6.101 8 - - - - - - 16802 2FHA GLN 14 H -10.491 10.277 -16.901 -5.995 6 - - - - - - 16803 2FHA ASP 15 H -10.591 10.216 -16.888 -5.969 6 - - - - - - 16804 2FHA SER 16 H -10.852 9.452 -17.282 -5.817 6 - - - - - - 16805 2FHA GLU 17 H -10.911 9.057 -17.359 -5.782 6 1812 131 2128 7051 Permissive Selective 16806 2FHA ALA 18 H -11.304 8.461 -17.538 -5.323 6 1477 145 2208 7982 Permissive Selective 16807 2FHA ALA 19 H -12.106 10.082 -16.913 -4.592 8 1157 145 2273 9025 Permissive Selective 16808 2FHA ILE 20 H -12.231 10.224 -16.478 -4.392 8 871 136 2306 9983 Permissive Selective 16809 2FHA ASN 21 H -12.351 9.793 -16.314 -4.221 6 688 135 2338 10806 Permissive Selective 16810 2FHA ARG 22 H -12.361 9.824 -16.246 -4.204 6 458 125 2376 11782 Permissive Selective 16811 2FHA GLN 23 H -14.362 13.285 -19.307 -5.475 8 352 129 2373 12855 Inactive Selective 16812 2FHA ILE 24 H -13.864 15.337 -17.481 -5.478 8 272 130 2364 13834 Inactive Selective 16813 2FHA ASN 25 H -13.855 15.421 -17.474 -5.492 8 220 138 2362 14698 Inactive Selective 16814 2FHA LEU 26 H -13.666 16.091 -17.028 -5.431 8 249 143 2362 15559 Inactive Selective 16815 2FHA GLU 27 H -13.774 16.843 -16.651 -5.448 8 290 161 2365 16430 Inactive Selective 16816 2FHA LEU 28 H -13.539 17.688 -15.853 -5.301 8 572 375 2368 17197 Permissive Selective 16817 2FHA TYR 29 H -13.178 17.744 -14.606 -4.886 8 1053 936 2353 17584 Selective Selective 16818 2FHA ALA 30 H -13.043 18.064 -14.501 -4.916 8 1357 1155 2348 17684 Selective Selective 16819 2FHA SER 31 H -13.025 18.05 -14.517 -4.924 8 1812 1510 2320 17454 Selective Selective 16820 2FHA TYR 32 H -12.906 17.987 -14.56 -4.928 8 2319 1925 2283 16957 Selective Selective 16821 2FHA VAL 33 H -12.857 17.687 -14.733 -4.969 8 2724 2121 2249 16314 Selective Selective 16822 2FHA TYR 34 H -13.127 17.85 -15.168 -5.142 8 3054 2234 2202 15546 Selective Selective 16823 2FHA LEU 35 H -12.717 14.722 -16.139 -5.233 8 3312 2280 2136 14482 Selective Selective 16824 2FHA SER 36 H -12.758 14.501 -16.187 -5.235 8 3600 2348 2080 13197 Selective Selective 16825 2FHA MET 37 H -12.849 14.012 -16.409 -5.287 8 3880 2397 2011 11825 Selective Selective 16826 2FHA SER 38 H -12.939 13.626 -16.567 -5.304 8 4056 2466 1930 10391 Selective Selective 16827 2FHA TYR 39 H -12.927 13.794 -16.57 -5.336 8 4200 2626 1853 8936 Selective Selective 16828 2FHA TYR 40 H -13.574 18.194 -17.002 -6.193 8 4208 2622 1773 7467 Selective Selective 16829 2FHA PHE 41 H -9.241 10.35 -12.151 -4.48 5 3930 2404 1714 5980 Selective Selective 16830 2FHA ASP 42 H -6.292 5.963 -10.195 -4.093 2 3447 1850 1662 4787 Selective Selective 16831 2FHA ARG 43 T -5.627 5.392 -9.878 -3.903 2 3178 1651 1607 3830 Selective Selective 16832 2FHA ASP 44 T -5.359 6.084 -9.516 -3.924 2 2782 1315 1551 3072 Selective Permissive 16833 2FHA ASP 45 T -5.346 6.126 -9.539 -3.924 2 2344 922 1510 2476 Selective Inactive 16834 2FHA VAL 46 T -5.345 6.13 -9.54 -3.924 2 2062 761 1486 2036 Selective Inactive 16835 2FHA ALA 47 T -5.478 6.179 -9.379 -3.882 2 1820 661 1458 1765 Selective Inactive 16836 2FHA LEU 48 C -5.919 7.353 -8.995 -3.96 2 1639 607 1448 1638 Selective Inactive 16837 2FHA LYS 49 H -7.534 8.213 -10.686 -3.955 4 1523 532 1447 1647 Selective Inactive 16838 2FHA ASN 50 H -8.85 10.274 -11.664 -4.235 5 1488 498 1489 1860 Selective Inactive 16839 2FHA PHE 51 H -10.154 11.822 -12.826 -4.47 7 1726 482 1536 2207 Selective Permissive 16840 2FHA ALA 52 H -10.201 11.631 -12.76 -4.449 7 1996 302 1585 2567 Permissive Permissive 16841 2FHA LYS 53 H -10.209 11.58 -12.742 -4.444 7 2600 280 1651 3007 Permissive Permissive 16842 2FHA TYR 54 H -13.575 17.197 -16.335 -5.393 8 3282 290 1693 3542 Permissive Selective 16843 2FHA PHE 55 H -13.813 17.283 -16.89 -5.543 8 3594 283 1732 4021 Permissive Selective 16844 2FHA LEU 56 H -11.528 9.284 -16.747 -5.27 6 3666 256 1769 4446 Permissive Selective 16845 2FHA HIS 57 H -11.284 8.965 -17.181 -5.368 6 3685 222 1824 4959 Permissive Selective 16846 2FHA GLN 58 H -11.285 8.934 -17.193 -5.37 6 3678 199 1879 5575 Permissive Selective 16847 2FHA SER 59 H -11.284 8.931 -17.201 -5.371 6 3564 164 1952 6298 Permissive Selective 16848 2FHA HIS 60 H -11.242 8.965 -17.293 -5.384 6 3467 141 2006 7113 Permissive Selective 16849 2FHA GLU 61 H -11.78 8.719 -18.192 -5.58 6 3364 135 2069 8031 Permissive Selective 16850 2FHA GLU 62 H -12.679 9.935 -18.817 -5.651 8 3169 118 2127 8932 Permissive Selective 16851 2FHA ARG 63 H -11.958 10.039 -17.328 -5.186 6 2910 84 2164 9610 Permissive Selective 16852 2FHA GLU 64 H -11.911 10.067 -17.448 -5.226 6 2473 15 2221 10201 Permissive Selective 16853 2FHA HIS 65 H -12.051 10.257 -17.169 -5.138 8 2009 15 2257 10721 Permissive Selective 16854 2FHA ALA 66 H -11.69 11.958 -16.142 -5.221 8 1377 18 2265 10968 Permissive Selective 16855 2FHA GLU 67 H -11.143 12.392 -15.552 -5.436 8 709 34 2273 10948 Permissive Selective 16856 2FHA LYS 68 H -11.12 13.647 -14.993 -5.524 8 400 52 2252 10867 Inactive Selective 16857 2FHA LEU 69 H -11.101 13.863 -14.925 -5.536 8 355 178 2236 10687 Inactive Selective 16858 2FHA MET 70 H -11.081 13.826 -15.012 -5.551 8 380 399 2195 10258 Gatekeeper Selective 16859 2FHA LYS 71 H -10.859 12.151 -15.652 -5.597 8 375 586 2119 9604 Gatekeeper Selective 16860 2FHA LEU 72 H -11.136 11.836 -15.943 -5.609 8 425 725 1999 8769 Selective Selective 16861 2FHA GLN 73 H -11.275 10.551 -16.555 -5.646 8 487 989 1896 7778 Selective Selective 16862 2FHA ASN 74 H -10.941 9.421 -17.218 -5.814 6 520 1157 1752 6654 Selective Selective 16863 2FHA GLN 75 H -10.938 9.315 -17.276 -5.812 6 540 1189 1609 5529 Selective Selective 16864 2FHA ARG 76 H -11.164 9.291 -17.682 -5.907 6 564 1295 1450 4511 Selective Gatekeeper 16865 2FHA GLY 77 C -8.446 8.18 -13.053 -5.043 5 641 1443 1283 3508 Selective Gatekeeper 16866 2FHA GLY 78 C -7.777 8.755 -11.994 -4.765 5 677 1524 1135 2586 Selective Inactive 16867 2FHA ARG 79 C -7.627 8.832 -12.019 -4.741 5 763 1678 1002 1871 Selective Inactive 16868 2FHA ILE 80 C -6.06 8.484 -9.679 -4.789 3 933 1832 884 1345 Selective Inactive 16869 2FHA PHE 81 C -5.792 8.25 -9.786 -4.726 3 1016 1954 787 889 Selective Inactive 16870 2FHA LEU 82 C -5.368 7.62 -9.578 -4.594 2 986 1864 695 544 Selective Inactive 16871 2FHA GLN 83 C -5.346 7.555 -9.665 -4.601 2 905 1698 622 338 Selective Inactive 16872 2FHA ASP 84 C -5.276 7.66 -9.599 -4.543 2 864 1569 588 237 Selective Inactive 16873 2FHA ILE 85 C -5.399 7.485 -9.633 -4.435 2 811 1477 588 198 Selective Inactive 16874 2FHA GLN 86 C -5.394 7.227 -9.677 -4.367 2 781 1300 581 204 Selective Inactive 16875 2FHA LYS 87 C -4.799 5.677 -9.008 -4.172 2 771 1234 615 259 Selective Inactive 16876 2FHA PRO 88 C -4.705 5.614 -9.201 -4.229 2 769 1261 668 389 Selective Inactive 16877 2FHA ASP 89 C -4.729 5.489 -9.215 -4.238 2 782 1189 758 539 Selective Inactive 16878 2FHA CYS 90 T -4.743 5.417 -9.208 -4.243 2 742 1135 842 717 Selective Inactive 16879 2FHA ASP 91 T -4.783 5.343 -9.141 -4.242 2 709 1061 917 957 Selective Inactive 16880 2FHA ASP 92 T -5.76 5.46 -10.53 -4.593 3 590 907 991 1254 Selective Inactive 16881 2FHA TRP 93 T -7.92 8.338 -13.126 -5.341 6 418 737 1049 1552 Gatekeeper Inactive 16882 2FHA GLU 94 T -8.689 9.557 -13.842 -5.546 6 351 604 1119 1862 Gatekeeper Inactive 16883 2FHA SER 95 T -9.519 10.059 -14.722 -5.492 6 323 574 1194 2176 Gatekeeper Inactive 16884 2FHA GLY 96 H -9.549 10.026 -14.643 -5.46 6 297 522 1273 2472 Gatekeeper Inactive 16885 2FHA LEU 97 H -9.724 9.46 -14.611 -5.316 6 295 464 1347 2769 Gatekeeper Inactive 16886 2FHA ASN 98 H -9.731 9.315 -14.657 -5.311 6 297 417 1402 3065 Gatekeeper Inactive 16887 2FHA ALA 99 H -11.201 12.407 -15.894 -5.414 8 277 330 1457 3347 Inactive Gatekeeper 16888 2FHA MET 100 H -11.353 12.974 -15.841 -5.493 8 282 229 1503 3513 Inactive Gatekeeper 16889 2FHA GLU 101 H -10.834 11.054 -15.196 -4.998 6 299 173 1541 3574 Inactive Selective 16890 2FHA CYS 102 H -10.391 12.094 -13.815 -4.681 7 267 139 1525 3614 Inactive Selective 16891 2FHA ALA 103 H -10.426 12.109 -13.652 -4.615 7 268 52 1525 3623 Inactive Selective 16892 2FHA LEU 104 H -10.451 12.063 -13.595 -4.586 7 282 47 1522 3557 Inactive Gatekeeper 16893 2FHA HIS 105 H -10.267 11.706 -13.963 -4.735 7 296 40 1540 3485 Inactive Selective 16894 2FHA LEU 106 H -10.439 12.263 -13.67 -4.722 7 301 34 1570 3474 Inactive Selective 16895 2FHA GLU 107 H -10.933 11.242 -15.177 -5.171 6 302 28 1571 3373 Inactive Selective 16896 2FHA LYS 108 H -10.357 10.554 -15.126 -5.237 6 297 23 1562 3209 Inactive Permissive 16897 2FHA ASN 109 H -10.346 10.496 -15.192 -5.245 6 292 20 1541 3027 Inactive Permissive 16898 2FHA VAL 110 H -10.57 10.316 -15.295 -5.287 6 275 20 1518 2831 Inactive Inactive 16899 2FHA ASN 111 H -10.558 10.278 -15.333 -5.281 6 279 20 1506 2631 Inactive Inactive 16900 2FHA GLN 112 H -10.315 10.187 -15.13 -5.082 6 275 20 1498 2446 Inactive Inactive 16901 2FHA SER 113 H -10.768 10.641 -15.091 -4.826 6 263 19 1481 2341 Inactive Inactive 16902 2FHA LEU 114 H -10.8 10.771 -14.924 -4.792 6 319 24 1463 2262 Inactive Inactive 16903 2FHA LEU 115 H -10.773 10.772 -14.99 -4.798 6 342 72 1471 2181 Inactive Inactive 16904 2FHA GLU 116 H -10.794 10.784 -14.931 -4.778 6 311 80 1476 2124 Inactive Inactive 16905 2FHA LEU 117 H -11.64 13.306 -15.389 -4.977 8 311 116 1457 2073 Inactive Inactive 16906 2FHA HIS 118 H -11.807 11.743 -16.472 -4.945 8 304 126 1407 1920 Inactive Inactive 16907 2FHA LYS 119 H -9.482 7.675 -13.875 -4.404 5 301 152 1336 1668 Inactive Inactive 16908 2FHA LEU 120 H -9.367 8.1 -13.973 -4.521 5 299 226 1303 1521 Inactive Inactive 16909 2FHA ALA 121 H -8.408 7.611 -13.544 -4.924 5 350 321 1268 1462 Inactive Inactive 16910 2FHA THR 122 H -8.307 7.509 -13.847 -5.017 6 373 382 1264 1479 Gatekeeper Inactive 16911 2FHA ASP 123 H -8.293 7.483 -13.923 -5.027 6 388 412 1261 1520 Gatekeeper Inactive 16912 2FHA LYS 124 H -8.36 7.464 -14.009 -5.131 6 378 431 1272 1621 Gatekeeper Inactive 16913 2FHA ASN 125 C -8.371 7.39 -14.018 -5.13 6 380 472 1308 1791 Gatekeeper Inactive 16914 2FHA ASP 126 C -9.181 7.177 -15.78 -5.439 6 378 502 1345 2053 Gatekeeper Inactive 16915 2FHA PRO 127 H -9.558 8.177 -15.551 -5.045 6 297 512 1379 2338 Gatekeeper Inactive 16916 2FHA HIS 128 H -9.694 8.647 -15.168 -4.948 6 294 472 1417 2632 Gatekeeper Inactive 16917 2FHA LEU 129 H -9.878 9.139 -14.694 -4.787 6 324 468 1433 2913 Gatekeeper Inactive 16918 2FHA CYS 130 H -9.994 9.285 -14.463 -4.759 6 335 440 1480 3213 Gatekeeper Inactive 16919 2FHA ASP 131 H -9.993 9.981 -14.1 -4.761 6 336 429 1541 3568 Gatekeeper Selective 16920 2FHA PHE 132 H -10.95 14.637 -13.44 -5.039 7 355 399 1613 3956 Gatekeeper Selective 16921 2FHA ILE 133 H -10.959 14.711 -13.389 -5.042 7 345 325 1670 4319 Inactive Selective 16922 2FHA GLU 134 H -10.974 14.614 -13.415 -5.049 7 297 229 1736 4623 Inactive Selective 16923 2FHA THR 135 H -10.97 14.611 -13.435 -5.056 7 273 168 1779 4872 Inactive Selective 16924 2FHA HIS 136 H -11.859 15.084 -15.192 -5.392 8 274 138 1829 5097 Inactive Selective 16925 2FHA TYR 137 H -12.325 14.798 -16.281 -5.582 8 279 121 1834 5177 Inactive Selective 16926 2FHA LEU 138 H -11.935 11.486 -17.191 -5.537 8 271 82 1802 5098 Inactive Selective 16927 2FHA ASN 139 H -10.694 7.3 -17.039 -5.3 6 260 53 1747 4870 Inactive Selective 16928 2FHA GLU 140 H -10.6 7.251 -17.132 -5.27 6 247 35 1692 4626 Inactive Selective 16929 2FHA GLN 141 H -10.563 7.352 -17.121 -5.248 6 215 27 1628 4326 Inactive Selective 16930 2FHA VAL 142 H -9.894 6.808 -15.486 -4.42 6 169 16 1566 3989 Inactive Selective 16931 2FHA LYS 143 H -9.833 6.89 -15.508 -4.424 6 135 6 1501 3604 Inactive Gatekeeper 16932 2FHA ALA 144 H -9.957 7.006 -15.124 -4.208 6 121 6 1414 3201 Inactive Inactive 16933 2FHA ILE 145 H -9.97 7.084 -15.021 -4.176 6 80 6 1330 2789 Inactive Inactive 16934 2FHA LYS 146 H -9.882 7.075 -15.207 -4.27 6 68 5 1234 2364 Inactive Inactive 16935 2FHA GLU 147 H -10.52 8.125 -16.221 -4.759 6 61 5 1121 1960 Inactive Inactive 16936 2FHA LEU 148 H -10.784 8.254 -16.367 -4.842 6 56 5 999 1569 Inactive Inactive 16937 2FHA GLY 149 H -10.173 8.887 -15.503 -5.053 6 69 63 873 1183 Inactive Inactive 16938 2FHA ASP 150 H -9.926 9.608 -15.085 -5.126 6 62 69 770 886 Inactive Inactive 16939 2FHA HIS 151 H -9.949 10.726 -14.55 -5.16 6 61 84 690 672 Inactive Inactive 16940 2FHA VAL 152 H -9.844 11.045 -14.293 -5.036 6 84 225 642 511 Inactive Inactive 16941 2FHA THR 153 H -8.809 9.907 -12.361 -4.433 5 112 348 592 349 Inactive Inactive 16942 2FHA ASN 154 H -8.73 10.332 -12.175 -4.439 5 140 587 546 238 Gatekeeper Inactive 16943 2FHA LEU 155 H -8.488 10.555 -11.975 -4.486 5 187 784 510 157 Gatekeeper Inactive 16944 2FHA ARG 156 H -7.509 9.153 -11.106 -4.478 5 256 998 495 112 Gatekeeper Inactive 16945 2FHA LYS 157 H -6.92 9.351 -10.516 -4.528 4 336 1292 511 93 Gatekeeper Inactive 16946 2FHA MET 158 H -6.543 8.947 -10.318 -4.49 5 610 1930 555 93 Selective Inactive 16947 2FHA GLY 159 T -5.77 6.851 -9.804 -4.159 2 846 2601 615 103 Selective Inactive 16948 2FHA ALA 160 T -5.451 6.45 -9.77 -4.121 2 941 2853 695 112 Selective Inactive 16949 2FHA PRO 161 T -4.672 5.119 -9.11 -4.042 2 1011 2986 770 125 Selective Inactive 16950 2FHA GLU 162 T -4.635 5.061 -9.188 -4.032 2 1009 2930 840 148 Selective Inactive 16951 2FHA SER 163 T -4.646 4.994 -9.172 -4.024 2 1023 2928 926 183 Selective Inactive 16952 2FHA GLY 164 H -4.715 4.863 -9.118 -4.022 2 - - - - - - 16953 2FHA LEU 165 H -4.791 4.719 -9.033 -4.016 2 - - - - - - 16954 2FHA ALA 166 H -6.167 5.189 -10.402 -4.008 2 - - - - - - 16955 2FHA GLU 167 H -8.574 8.906 -12.98 -4.721 5 - - - - - - 16956 2FHA TYR 168 H -9.222 11.322 -12.893 -5.151 6 - - - - - - 16957 2FHA LEU 169 H -9.889 17.57 -13.465 -7.239 7 - - - - - - 16958 2FHA PHE 170 H -9.374 17.413 -12.923 -7.385 7 - - - - - - 16959 2FHA ASP 171 H -7.35 11.634 -11.169 -6.041 4 - - - - - - 16960 2FHA LYS 172 H -3.918 9.62 -5.989 -4.711 2 - - - - - - 16961 2FHA HIS 173 H -2.646 8.018 -4.27 -3.758 1 - - - - - - 16962 2FHA THR 174 H -2.646 8.018 -4.27 -3.758 1 - - - - - - 16963 2FHA LEU 175 C -2.646 8.018 -4.27 -3.758 1 - - - - - - 16964 2FHA GLY 176 C -2.646 8.018 -4.27 -3.758 1 - - - - - - 16965 2ILK THR 6 T -8.461 4.89 -14.44 -4.824 5 - - - - - - 16966 2ILK GLN 7 T -8.461 4.89 -14.44 -4.824 5 - - - - - - 16967 2ILK SER 8 T -8.461 4.89 -14.44 -4.824 5 - - - - - - 16968 2ILK GLU 9 C -8.461 4.89 -14.44 -4.824 5 - - - - - - 16969 2ILK ASN 10 C -4.846 1.794 -10.284 -4.107 2 - - - - - - 16970 2ILK SER 11 C -4.478 4.333 -8.938 -4.06 2 - - - - - - 16971 2ILK CYS 12 T -4.375 4.908 -8.756 -4.057 2 - - - - - - 16972 2ILK THR 13 T -3.698 6.643 -6.5 -3.778 1 - - - - - - 16973 2ILK HIS 14 T -3.689 6.672 -6.533 -3.789 1 - - - - - - 16974 2ILK PHE 15 T -3.78 7.481 -5.91 -3.735 1 - - - - - - 16975 2ILK PRO 16 T -3.868 7.512 -5.686 -3.691 1 - - - - - - 16976 2ILK GLY 17 T -3.91 7.481 -5.531 -3.664 1 - - - - - - 16977 2ILK ASN 18 H -6.067 8.598 -9.178 -4.451 4 538 2873 1110 515 Gatekeeper Selective 16978 2ILK LEU 19 H -6.896 8.243 -10.011 -4.221 4 454 2682 1070 514 Gatekeeper Permissive 16979 2ILK PRO 20 H -6.974 7.62 -10.067 -4.148 4 397 2507 1012 507 Gatekeeper Permissive 16980 2ILK ASN 21 H -9.853 7.458 -15.504 -5.032 6 319 2084 949 502 Gatekeeper Permissive 16981 2ILK MET 22 H -10.992 9.569 -16.046 -4.856 6 266 1635 900 479 Gatekeeper Inactive 16982 2ILK LEU 23 H -10.929 9.031 -15.564 -4.347 6 242 1351 869 435 Gatekeeper Inactive 16983 2ILK ARG 24 H -10.765 8.359 -15.432 -4.105 6 241 1198 826 394 Gatekeeper Inactive 16984 2ILK ASP 25 H -10.897 8.308 -15.449 -3.952 6 275 1016 796 344 Gatekeeper Inactive 16985 2ILK LEU 26 H -10.767 9.496 -14.471 -3.806 6 315 882 785 293 Gatekeeper Inactive 16986 2ILK ARG 27 H -10.08 9.465 -13.415 -3.814 5 397 703 805 251 Gatekeeper Inactive 16987 2ILK ASP 28 H -9.742 9.536 -13.06 -3.868 5 439 418 867 242 Gatekeeper Inactive 16988 2ILK ALA 29 H -9.751 9.79 -12.917 -3.869 5 455 122 913 269 Inactive Inactive 16989 2ILK PHE 30 H -9.733 9.862 -12.906 -3.874 5 568 179 989 310 Permissive Permissive 16990 2ILK SER 31 H -9.691 9.793 -12.989 -3.899 5 660 170 1072 372 Permissive Permissive 16991 2ILK ARG 32 H -9.925 10.203 -13.021 -3.977 5 761 170 1166 448 Permissive Permissive 16992 2ILK VAL 33 H -10.178 13.782 -12.575 -4.572 7 964 183 1262 549 Permissive Selective 16993 2ILK LYS 34 H -9.945 14.09 -12.959 -5.131 7 1085 196 1340 610 Permissive Selective 16994 2ILK THR 35 H -9.499 13.287 -12.873 -5.243 7 1257 211 1382 653 Permissive Selective 16995 2ILK PHE 36 H -9.406 13.279 -13.499 -5.711 7 1550 295 1392 681 Permissive Selective 16996 2ILK PHE 37 H -8.736 9.892 -14.001 -5.525 6 1621 297 1388 683 Permissive Selective 16997 2ILK GLN 38 H -7.344 4.763 -13.923 -5.201 3 1600 291 1370 678 Permissive Selective 16998 2ILK MET 39 H -6.153 3.693 -11.903 -4.46 3 1577 279 1327 665 Permissive Selective 16999 2ILK LYS 40 H -5.562 2.846 -11.869 -4.432 3 1488 257 1271 643 Permissive Selective 17000 2ILK ASP 41 C -4.064 1.091 -9.713 -3.932 2 1435 248 1183 611 Permissive Selective 17001 2ILK GLN 42 C -3.855 1.321 -9.692 -3.916 2 1349 230 1105 557 Permissive Selective 17002 2ILK LEU 43 C -3.73 1.511 -9.595 -3.871 2 1210 146 1024 506 Permissive Permissive 17003 2ILK ASP 44 C -3.598 2.044 -9.266 -3.842 2 1127 143 952 441 Permissive Permissive 17004 2ILK ASN 45 C -3.58 2.174 -9.208 -3.832 2 1028 138 868 373 Permissive Inactive 17005 2ILK LEU 46 T -3.873 3.081 -9.008 -3.796 2 821 118 792 279 Permissive Inactive 17006 2ILK LEU 47 T -4.089 3.616 -8.734 -3.762 2 690 105 716 218 Permissive Inactive 17007 2ILK LEU 48 T -4.345 4.305 -8.475 -3.801 2 500 90 670 177 Inactive Inactive 17008 2ILK LYS 49 T -5.152 4.791 -9.503 -3.961 2 200 7 657 151 Inactive Inactive 17009 2ILK GLU 50 H -5.967 5.333 -10.3 -4.17 2 112 8 656 139 Inactive Inactive 17010 2ILK SER 51 H -7.957 6.938 -14.426 -5.373 6 82 29 657 129 Inactive Inactive 17011 2ILK LEU 52 H -8.618 8.78 -14.326 -5.24 6 53 46 653 121 Inactive Inactive 17012 2ILK LEU 53 H -8.268 9.429 -12.298 -4.544 5 45 52 650 114 Inactive Inactive 17013 2ILK GLU 54 H -7.706 9.683 -11.079 -4.491 5 37 56 675 109 Inactive Inactive 17014 2ILK ASP 55 H -7.072 10.132 -9.849 -4.446 4 32 60 738 127 Inactive Inactive 17015 2ILK PHE 56 H -6.105 9.096 -8.768 -4.277 4 31 68 788 145 Inactive Inactive 17016 2ILK LYS 57 H -5.067 5.239 -9.403 -4.253 2 20 68 835 175 Inactive Inactive 17017 2ILK GLY 58 C -5.028 5.151 -9.547 -4.259 2 16 69 914 248 Inactive Permissive 17018 2ILK TYR 59 C -5.025 5.127 -9.57 -4.26 2 43 98 973 347 Inactive Permissive 17019 2ILK LEU 60 H -5.038 5.014 -9.577 -4.256 2 175 167 1029 491 Inactive Permissive 17020 2ILK GLY 61 H -5.122 4.426 -9.74 -4.259 2 451 392 1073 666 Gatekeeper Selective 17021 2ILK CYS 62 H -6.53 4.392 -11.722 -4.37 3 676 491 1100 854 Selective Selective 17022 2ILK GLN 63 H -7.612 6.07 -12.287 -4.482 5 847 494 1108 1055 Selective Selective 17023 2ILK ALA 64 H -9.077 7.841 -13.825 -4.665 5 968 475 1123 1289 Selective Selective 17024 2ILK LEU 65 H -9.931 10.056 -13.949 -4.772 6 1072 459 1135 1620 Selective Selective 17025 2ILK SER 66 H -10.901 12.255 -14.439 -4.727 7 1214 493 1135 1896 Selective Selective 17026 2ILK GLU 67 H -10.883 12.599 -14.271 -4.741 7 1293 514 1119 2146 Selective Selective 17027 2ILK MET 68 H -11.124 13.769 -13.956 -4.825 7 1412 548 1090 2360 Selective Selective 17028 2ILK ILE 69 H -11.359 14.214 -13.957 -4.932 7 1462 568 1068 2544 Selective Selective 17029 2ILK GLN 70 H -11.84 14.339 -14.905 -5.133 8 1538 650 1043 2736 Selective Selective 17030 2ILK PHE 71 H -11.477 15.099 -13.683 -4.989 7 1623 820 985 2810 Selective Selective 17031 2ILK TYR 72 H -10.297 13.649 -12.143 -4.703 7 1612 837 952 2829 Selective Selective 17032 2ILK LEU 73 H -9.539 13.422 -11.345 -4.627 7 1482 827 943 2778 Selective Selective 17033 2ILK GLU 74 H -9.441 12.975 -11.656 -4.594 7 1211 691 944 2675 Selective Selective 17034 2ILK GLU 75 H -9.363 12.534 -11.897 -4.533 7 989 702 947 2545 Selective Selective 17035 2ILK VAL 76 H -9.329 12.289 -11.987 -4.472 7 822 825 953 2374 Selective Selective 17036 2ILK MET 77 H -9.443 12.034 -11.993 -4.429 7 707 985 940 2153 Selective Selective 17037 2ILK PRO 78 H -9.884 9.432 -13.873 -4.189 5 616 1165 916 1827 Selective Selective 17038 2ILK GLN 79 H -9.983 8.643 -14.511 -4.253 6 482 1204 902 1563 Gatekeeper Gatekeeper 17039 2ILK ALA 80 H -10.077 8.643 -15.065 -4.565 6 408 1240 885 1317 Gatekeeper Gatekeeper 17040 2ILK GLU 81 H -8.88 7.108 -14.32 -5.12 6 305 1283 845 1087 Gatekeeper Gatekeeper 17041 2ILK ASN 82 T -5.648 4.414 -10.477 -4.486 3 259 1307 809 885 Gatekeeper Gatekeeper 17042 2ILK GLN 83 T -5.399 5.128 -9.97 -4.289 2 183 1262 778 665 Gatekeeper Gatekeeper 17043 2ILK ASP 84 T -5.347 5.196 -9.999 -4.257 2 102 1131 760 514 Gatekeeper Inactive 17044 2ILK PRO 85 T -5.32 5.227 -10.031 -4.238 2 95 1163 733 400 Gatekeeper Inactive 17045 2ILK ASP 86 T -5.32 5.229 -10.028 -4.236 2 94 1104 699 323 Gatekeeper Inactive 17046 2ILK ILE 87 H -5.824 6.337 -9.449 -3.904 2 88 1015 690 283 Gatekeeper Inactive 17047 2ILK LYS 88 H -6.541 5.964 -10.513 -3.885 2 83 904 685 266 Gatekeeper Inactive 17048 2ILK ALA 89 H -7.138 6.042 -10.87 -3.851 2 80 775 698 288 Gatekeeper Inactive 17049 2ILK HIS 90 H -8.786 7.969 -12.916 -4.388 5 76 613 743 360 Gatekeeper Inactive 17050 2ILK VAL 91 H -9.881 9.649 -13.924 -4.333 5 68 436 830 524 Gatekeeper Gatekeeper 17051 2ILK ASN 92 H -10.109 8.6 -14.659 -4.36 6 74 378 922 808 Inactive Selective 17052 2ILK SER 93 H -10.203 8.866 -14.525 -4.323 6 81 344 1015 1213 Inactive Selective 17053 2ILK LEU 94 H -10.779 10.928 -14.993 -4.735 6 83 308 1109 1675 Inactive Selective 17054 2ILK GLY 95 H -10.432 10.816 -14.874 -4.962 6 224 350 1177 2187 Inactive Selective 17055 2ILK GLU 96 H -9.814 11.027 -13.63 -4.969 6 384 355 1236 2703 Inactive Selective 17056 2ILK ASN 97 H -9.788 11.419 -13.471 -4.982 6 587 352 1281 3225 Permissive Selective 17057 2ILK LEU 98 H -9.816 11.55 -13.369 -4.992 7 1028 316 1311 3747 Permissive Selective 17058 2ILK LYS 99 H -9.808 11.562 -13.377 -4.99 7 1647 391 1317 4271 Selective Selective 17059 2ILK THR 100 H -9.913 11.712 -13.112 -4.947 7 2383 515 1311 4780 Selective Selective 17060 2ILK LEU 101 H -10.997 14.582 -13.357 -5.04 7 2835 786 1321 5269 Selective Selective 17061 2ILK ARG 102 H -11.568 14.112 -13.953 -4.951 7 3151 985 1336 5730 Selective Selective 17062 2ILK LEU 103 H -11.777 13.362 -14.231 -4.991 8 3396 1147 1353 6143 Selective Selective 17063 2ILK ARG 104 H -14.607 13.557 -18.84 -5.102 8 3703 1383 1350 6369 Selective Selective 17064 2ILK LEU 105 H -12.752 14.113 -14.96 -4.782 8 3981 1583 1333 6317 Selective Selective 17065 2ILK ARG 106 H -12.69 13.912 -15.23 -4.794 8 4358 1805 1307 6125 Selective Selective 17066 2ILK ARG 107 H -11.82 13.352 -14.359 -4.623 7 4657 1963 1284 5829 Selective Selective 17067 2ILK CYS 108 T -11.306 14.279 -13.491 -4.711 7 4662 2044 1276 5455 Selective Selective 17068 2ILK HIS 109 T -11.07 14.272 -13.274 -4.593 7 4597 2154 1267 5069 Selective Selective 17069 2ILK ARG 110 T -10.889 13.965 -13.37 -4.643 7 4444 2223 1273 4667 Selective Selective 17070 2ILK PHE 111 T -10.658 13.642 -13.697 -4.891 7 4064 2284 1249 4214 Selective Selective 17071 2ILK LEU 112 T -10.478 12.508 -14.49 -5.221 6 3465 2253 1228 3714 Selective Selective 17072 2ILK PRO 113 G -10.129 8.957 -15.889 -5.36 6 2752 2158 1191 3192 Selective Selective 17073 2ILK CYS 114 G -10.134 8.443 -16.267 -5.446 6 2389 1924 1143 2664 Selective Selective 17074 2ILK GLU 115 G -10.185 7.988 -16.516 -5.509 6 2085 1729 1078 2153 Selective Selective 17075 2ILK ASN 116 C -10.06 6.67 -16.964 -5.346 6 1850 1574 984 1649 Selective Selective 17076 2ILK LYS 117 C -7.813 5.164 -12.634 -4.168 5 1541 1334 904 1249 Selective Gatekeeper 17077 2ILK SER 118 C -7.16 5.366 -11.98 -4.145 3 1254 1113 835 1003 Selective Gatekeeper 17078 2ILK LYS 119 H -7.048 5.257 -12.179 -4.176 3 867 864 777 781 Selective Gatekeeper 17079 2ILK ALA 120 H -6.978 5.188 -12.318 -4.185 3 551 661 708 608 Selective Gatekeeper 17080 2ILK VAL 121 H -6.89 5.092 -12.41 -4.171 3 403 486 648 464 Gatekeeper Inactive 17081 2ILK GLU 122 H -6.997 5.08 -12.507 -4.216 3 313 332 572 325 Inactive Inactive 17082 2ILK GLN 123 H -7.369 4.749 -13.518 -4.366 5 275 225 489 194 Inactive Inactive 17083 2ILK VAL 124 H -7.565 4.839 -13.686 -4.385 5 202 121 449 112 Inactive Inactive 17084 2ILK LYS 125 H -7.738 5.164 -13.764 -4.448 5 191 80 426 68 Inactive Inactive 17085 2ILK ASN 126 H -7.991 6.454 -14.004 -4.682 5 176 52 413 46 Inactive Inactive 17086 2ILK ALA 127 H -8.003 7.436 -13.213 -4.493 5 93 15 400 39 Inactive Inactive 17087 2ILK PHE 128 H -7.954 8.3 -12.315 -4.276 5 83 13 397 29 Inactive Inactive 17088 2ILK ASN 129 H -7.15 6.577 -11.7 -4.327 3 77 6 411 26 Inactive Inactive 17089 2ILK LYS 130 H -6.263 5.912 -10.434 -4.069 2 77 6 414 25 Inactive Inactive 17090 2ILK LEU 131 H -6.106 6.019 -10.495 -4.124 2 75 9 412 24 Inactive Inactive 17091 2ILK GLN 132 H -5.969 6.072 -10.483 -4.113 2 83 11 397 23 Inactive Inactive 17092 2ILK GLU 133 H -5.793 6.325 -10.225 -4.088 2 90 11 378 22 Inactive Inactive 17093 2ILK LYS 134 H -5.825 6.406 -10.147 -4.076 2 108 23 356 18 Inactive Inactive 17094 2ILK GLY 135 H -6.067 6.905 -10.211 -4.13 2 154 41 342 16 Inactive Inactive 17095 2ILK ILE 136 H -6.182 7.113 -10.067 -4.064 2 178 47 333 16 Inactive Inactive 17096 2ILK TYR 137 H -6.392 7.446 -9.913 -4.06 2 224 58 327 14 Inactive Inactive 17097 2ILK LYS 138 H -7.038 7.952 -11.087 -4.136 5 310 61 328 11 Inactive Inactive 17098 2ILK ALA 139 H -7.155 7.837 -11.09 -4.067 5 365 64 330 9 Inactive Inactive 17099 2ILK MET 140 H -7.408 7.426 -11.33 -3.97 5 413 80 336 8 Inactive Inactive 17100 2ILK SER 141 H -7.841 6.847 -12.21 -4.088 5 470 101 350 9 Inactive Inactive 17101 2ILK GLU 142 H -7.922 6.787 -12.159 -4.082 5 559 135 360 14 Permissive Inactive 17102 2ILK PHE 143 H -8.719 8.993 -12.801 -4.2 5 641 153 375 29 Permissive Inactive 17103 2ILK ASP 144 H -8.31 8.836 -11.596 -3.924 5 690 150 394 54 Permissive Inactive 17104 2ILK ILE 145 H -8.062 9.23 -11.052 -3.828 5 765 149 420 90 Permissive Inactive 17105 2ILK PHE 146 H -7.913 9.239 -10.951 -3.783 4 774 150 470 150 Permissive Inactive 17106 2ILK ILE 147 H -7.741 8.949 -11.035 -3.802 5 755 138 507 210 Permissive Inactive 17107 2ILK ASN 148 H -6.488 11.708 -13.303 -8.599 3 - - - - - - 17108 2ILK TYR 149 H -5.711 11.655 -12.185 -8.423 3 - - - - - - 17109 2ILK ILE 150 H -4.821 9.584 -11.056 -7.602 3 - - - - - - 17110 2ILK GLU 151 H -4.149 8.187 -10.419 -7.105 3 - - - - - - 17111 2ILK ALA 152 H -3.674 7.405 -9.603 -6.491 3 - - - - - - 17112 2ILK TYR 153 H -3.199 6.939 -8.57 -5.899 2 - - - - - - 17113 2ILK MET 154 H -2.509 6.054 -6.971 -5.063 2 - - - - - - 17114 2ILK THR 155 H -1.834 5.329 -5.63 -4.346 1 - - - - - - 17115 2ILK MET 156 H -1.533 5.1 -5.243 -4.004 1 - - - - - - 17116 2ILK LYS 157 H -1.236 4.809 -4.79 -3.609 1 - - - - - - 17117 2ILK ILE 158 H -1.236 4.809 -4.79 -3.609 1 - - - - - - 17118 2ILK ARG 159 C -1.236 4.809 -4.79 -3.609 1 - - - - - - 17119 2ILK ASN 160 C -1.236 4.809 -4.79 -3.609 1 - - - - - - 17120 2PSR SER 1 C -6.296 3.27 -13.721 -4.778 3 - - - - - - 17121 2PSR ASN 2 C -6.296 3.27 -13.721 -4.778 3 - - - - - - 17122 2PSR THR 3 C -6.296 3.27 -13.721 -4.778 3 - - - - - - 17123 2PSR GLN 4 H -6.296 3.27 -13.721 -4.778 3 - - - - - - 17124 2PSR ALA 5 H -6.585 3.562 -14.545 -5.309 3 - - - - - - 17125 2PSR GLU 6 H -6.848 3.855 -15.069 -5.697 3 - - - - - - 17126 2PSR ARG 7 H -7.346 4.409 -15.97 -6.06 6 - - - - - - 17127 2PSR SER 8 H -7.838 5.018 -17.24 -6.55 6 - - - - - - 17128 2PSR ILE 9 H -7.844 5.499 -16.272 -5.987 6 - - - - - - 17129 2PSR ILE 10 H -7.964 5.855 -15.759 -5.648 6 - - - - - - 17130 2PSR GLY 11 H -8.12 6.247 -15.077 -5.197 6 - - - - - - 17131 2PSR MET 12 H -8.347 6.816 -13.458 -4.17 5 - - - - - - 17132 2PSR ILE 13 H -8.462 7.123 -13.004 -4.045 5 770 11 1111 848 Inactive Inactive 17133 2PSR ASP 14 H -9.129 7.944 -13.824 -4.464 5 915 11 1146 899 Inactive Inactive 17134 2PSR MET 15 H -10.067 10.502 -14.519 -5.086 6 1149 11 1207 1000 Inactive Inactive 17135 2PSR PHE 16 H -10.901 14.458 -14.057 -5.302 8 1334 11 1243 1106 Permissive Inactive 17136 2PSR HIS 17 H -10.591 13.28 -14.427 -5.292 8 1427 12 1260 1134 Permissive Inactive 17137 2PSR LYS 18 H -8.826 9.813 -11.955 -4.353 5 1478 23 1247 1077 Permissive Inactive 17138 2PSR TYR 19 C -8.61 9.704 -12.172 -4.385 5 1547 46 1265 1095 Permissive Inactive 17139 2PSR THR 20 C -6.556 4.965 -11.152 -4.035 3 1540 60 1301 1203 Permissive Inactive 17140 2PSR ARG 21 B -6.351 5.193 -11.327 -4.139 3 1579 86 1333 1314 Permissive Inactive 17141 2PSR ARG 22 T -6.31 5.441 -11.324 -4.164 3 1540 86 1371 1487 Permissive Inactive 17142 2PSR ASP 23 T -6.318 5.382 -11.317 -4.162 3 1477 88 1404 1711 Permissive Inactive 17143 2PSR ASP 24 T -6.322 5.354 -11.308 -4.16 3 1378 88 1430 1948 Permissive Inactive 17144 2PSR LYS 25 B -6.949 6.376 -11.665 -4.416 3 1151 89 1453 2177 Inactive Inactive 17145 2PSR ILE 26 B -7.903 8.992 -11.365 -4.529 5 945 91 1468 2337 Inactive Inactive 17146 2PSR ASP 27 C -9.863 11.566 -13.975 -5.124 6 807 101 1481 2558 Inactive Inactive 17147 2PSR LYS 28 H -9.708 11.848 -13.683 -5.019 6 575 119 1491 2764 Inactive Inactive 17148 2PSR PRO 29 H -9.03 12.598 -11.8 -4.68 7 395 146 1507 2980 Inactive Gatekeeper 17149 2PSR SER 30 H -9.037 12.608 -11.757 -4.668 7 297 150 1562 3277 Inactive Selective 17150 2PSR LEU 31 H -9.107 12.859 -11.479 -4.633 7 256 149 1637 3627 Inactive Selective 17151 2PSR LEU 32 H -9.17 13.054 -11.224 -4.581 7 185 128 1696 3903 Inactive Selective 17152 2PSR THR 33 H -9.171 13.129 -11.296 -4.669 7 172 117 1720 4096 Inactive Selective 17153 2PSR MET 34 H -10.31 14.232 -13.87 -5.664 8 131 113 1742 4242 Inactive Selective 17154 2PSR MET 35 H -10.276 14.241 -13.95 -5.707 8 138 131 1770 4222 Inactive Selective 17155 2PSR LYS 36 H -9.585 11.886 -13.671 -5.344 6 143 145 1786 4092 Inactive Selective 17156 2PSR GLU 37 H -9.173 10.715 -13.75 -5.26 6 162 168 1803 3959 Inactive Selective 17157 2PSR ASN 38 H -9.224 10.484 -13.753 -5.217 6 202 262 1803 3838 Inactive Selective 17158 2PSR PHE 39 H -9.227 10.5 -13.712 -5.2 6 276 396 1805 3760 Gatekeeper Selective 17159 2PSR PRO 40 H -9.226 10.47 -13.699 -5.176 6 423 543 1811 3612 Gatekeeper Selective 17160 2PSR ASN 41 H -9.506 10.214 -13.802 -5.167 6 585 584 1811 3452 Gatekeeper Selective 17161 2PSR PHE 42 H -11.025 14.456 -13.871 -4.871 7 870 657 1843 3311 Gatekeeper Selective 17162 2PSR LEU 43 H -11.199 13.818 -14.322 -4.765 7 1012 679 1840 3133 Gatekeeper Selective 17163 2PSR SER 44 H -9.97 6.515 -15.628 -4.577 6 1124 689 1805 2928 Gatekeeper Permissive 17164 2PSR ALA 45 H -9.896 6.245 -15.96 -4.675 6 1241 712 1773 2780 Gatekeeper Permissive 17165 2PSR CYS 46 H -8.698 4.644 -15.957 -5.313 6 1421 809 1776 2674 Selective Permissive 17166 2PSR ASP 47 H -7.088 4.842 -13.432 -5.155 3 1530 805 1810 2634 Selective Permissive 17167 2PSR LYS 48 H -6.788 5.123 -13.378 -5.195 3 1576 792 1830 2683 Selective Permissive 17168 2PSR LYS 49 H -6.79 5.132 -13.373 -5.198 3 1599 778 1857 2793 Selective Permissive 17169 2PSR GLY 50 C -6.788 5.151 -13.37 -5.199 3 1633 762 1882 2865 Selective Permissive 17170 2PSR THR 51 C -6.808 5.19 -13.278 -5.191 3 1641 668 1914 2919 Selective Permissive 17171 2PSR ASN 52 T -7.325 5.671 -13.314 -5.257 3 1661 541 1941 2979 Selective Selective 17172 2PSR TYR 53 T -9.675 11.963 -14.13 -5.372 6 1721 410 1949 3024 Selective Selective 17173 2PSR LEU 54 T -9.893 12.962 -13.562 -5.25 7 1850 360 1940 3062 Selective Selective 17174 2PSR ALA 55 T -10.276 13.078 -13.78 -5.127 7 1898 265 1917 3071 Permissive Selective 17175 2PSR ASP 56 H -10.204 12.363 -13.927 -5.057 7 2173 244 1914 3064 Permissive Selective 17176 2PSR VAL 57 H -10.386 12.421 -13.83 -5.001 7 2440 243 1905 3001 Permissive Selective 17177 2PSR PHE 58 H -10.414 12.324 -13.809 -5.003 7 2668 230 1885 2935 Permissive Permissive 17178 2PSR GLU 59 H -10.242 10.91 -14.835 -5.197 6 2917 166 1814 2900 Permissive Permissive 17179 2PSR LYS 60 H -10.077 9.888 -15.573 -5.382 6 3063 167 1752 2925 Permissive Permissive 17180 2PSR LYS 61 H -9.252 6.887 -15.949 -5.651 6 3217 175 1712 3035 Permissive Selective 17181 2PSR ASP 62 T -7.609 3.265 -14.931 -5.16 6 3362 270 1681 3203 Permissive Selective 17182 2PSR LYS 63 T -5.224 2.261 -11.659 -4.694 3 3475 336 1643 3419 Selective Selective 17183 2PSR ASN 64 T -5.218 2.287 -11.688 -4.701 3 3485 377 1595 3655 Selective Selective 17184 2PSR GLU 65 T -5.216 2.308 -11.692 -4.702 3 3392 374 1541 3900 Selective Gatekeeper 17185 2PSR ASP 66 C -5.216 2.304 -11.688 -4.701 3 3204 353 1494 4063 Selective Gatekeeper 17186 2PSR LYS 67 C -5.226 2.291 -11.635 -4.694 3 2920 352 1480 4137 Selective Gatekeeper 17187 2PSR LYS 68 C -7.785 5.927 -14.241 -5.349 6 2594 370 1461 4169 Selective Gatekeeper 17188 2PSR ILE 69 B -8.596 8.856 -13.059 -5.12 5 2185 388 1410 4155 Selective Gatekeeper 17189 2PSR ASP 70 C -11.292 11.901 -16.269 -5.546 8 1802 431 1379 4205 Selective Gatekeeper 17190 2PSR PHE 71 H -11.771 14.814 -15.261 -5.317 8 1470 511 1335 4126 Selective Gatekeeper 17191 2PSR SER 72 H -11.909 14.436 -15.429 -5.202 8 1060 487 1322 3965 Gatekeeper Gatekeeper 17192 2PSR GLU 73 H -11.979 14.351 -15.383 -5.156 8 805 496 1285 3694 Gatekeeper Gatekeeper 17193 2PSR PHE 74 H -12.052 16.432 -13.999 -4.813 7 622 528 1211 3321 Gatekeeper Gatekeeper 17194 2PSR LEU 75 H -10.483 11.986 -13.178 -4.463 7 439 435 1122 2886 Gatekeeper Inactive 17195 2PSR SER 76 H -10.446 11.844 -13.378 -4.494 7 275 363 1043 2430 Gatekeeper Inactive 17196 2PSR LEU 77 H -10.364 11.953 -13.473 -4.52 7 221 325 972 1969 Gatekeeper Inactive 17197 2PSR LEU 78 H -9.763 10.348 -13.547 -4.43 5 200 319 911 1494 Gatekeeper Inactive 17198 2PSR GLY 79 H -8.398 7.656 -12.711 -4.357 5 194 317 860 1133 Gatekeeper Inactive 17199 2PSR ASP 80 H -8.407 7.565 -12.728 -4.357 5 192 310 816 865 Inactive Inactive 17200 2PSR ILE 81 H -8.407 7.568 -12.727 -4.357 5 205 293 768 636 Inactive Inactive 17201 2PSR ALA 82 H -8.407 7.546 -12.739 -4.358 5 293 451 728 476 Gatekeeper Inactive 17202 2PSR THR 83 H -8.446 7.417 -12.688 -4.359 5 340 519 690 315 Gatekeeper Inactive 17203 2PSR ASP 84 H -10.714 9.503 -15.848 -4.796 6 - - - - - - 17204 2PSR TYR 85 H -11.17 9.513 -16.94 -5.084 6 - - - - - - 17205 2PSR HIS 86 H -9.479 5.886 -15.487 -4.81 6 - - - - - - 17206 2PSR LYS 87 H -8.788 5.798 -15.246 -5.029 6 - - - - - - 17207 2PSR GLN 88 H -7.137 4.894 -12.728 -4.582 3 - - - - - - 17208 2PSR SER 89 H -7.136 4.901 -12.742 -4.588 3 - - - - - - 17209 2PSR HIS 90 H -7.123 4.966 -12.821 -4.631 3 - - - - - - 17210 2PSR GLY 91 C -7.098 5.089 -12.897 -4.694 3 - - - - - - 17211 2PSR ALA 92 C -7.096 5.162 -12.847 -4.682 3 - - - - - - 17212 2PSR ALA 93 C -7.739 6.744 -13.188 -4.623 5 - - - - - - 17213 2PSR PRO 94 C -7.739 6.744 -13.188 -4.623 5 - - - - - - 17214 2PSR CYS 95 C -7.739 6.744 -13.188 -4.623 5 - - - - - - 17215 2PSR SER 96 C -7.739 6.744 -13.188 -4.623 5 - - - - - - 17216 2TGI ALA 1 C -7.686 5.715 -9.74 -2.422 2 - - - - - - 17217 2TGI LEU 2 C -7.686 5.715 -9.74 -2.422 2 - - - - - - 17218 2TGI ASP 3 B -7.686 5.715 -9.74 -2.422 2 - - - - - - 17219 2TGI ALA 4 H -7.686 5.715 -9.74 -2.422 2 - - - - - - 17220 2TGI ALA 5 H -8.926 6.065 -12.146 -3.258 5 - - - - - - 17221 2TGI TYR 6 H -11.25 8.888 -16.437 -4.84 6 - - - - - - 17222 2TGI CYS 7 H -8.764 5.664 -13.621 -4.185 5 - - - - - - 17223 2TGI PHE 8 T -8.744 5.629 -13.675 -4.159 5 - - - - - - 17224 2TGI ARG 9 T -8.242 2.83 -14.151 -3.746 5 - - - - - - 17225 2TGI ASN 10 T -8.084 2.753 -14.4 -3.889 5 - - - - - - 17226 2TGI VAL 11 C -7.807 3.08 -14.345 -4.118 5 - - - - - - 17227 2TGI GLN 12 C -7.935 2.46 -14.543 -4.108 5 - - - - - - 17228 2TGI ASP 13 C -7.935 2.481 -14.543 -4.116 5 2408 5132 497 358 Selective Inactive 17229 2TGI ASN 14 B -8.182 3.384 -14.562 -4.468 5 2406 5468 580 527 Selective Gatekeeper 17230 2TGI CYS 15 C -8.374 3.715 -14.31 -4.512 5 2341 5677 670 721 Selective Gatekeeper 17231 2TGI CYS 16 E -10.507 6.818 -16.33 -4.87 6 2137 5602 773 946 Selective Gatekeeper 17232 2TGI LEU 17 E -10.704 7.117 -15.258 -4.362 6 1811 4975 892 1134 Selective Gatekeeper 17233 2TGI ARG 18 E -12.338 11.186 -15.392 -3.74 8 1541 4516 999 1283 Selective Selective 17234 2TGI PRO 19 C -10.623 11.027 -11.85 -3.359 7 1046 3872 1099 1375 Selective Selective 17235 2TGI LEU 20 C -10.625 11.074 -11.813 -3.358 7 953 3468 1213 1452 Selective Selective 17236 2TGI TYR 21 E -10.631 11.126 -11.773 -3.366 7 864 3163 1310 1499 Selective Selective 17237 2TGI ILE 22 E -10.399 12.513 -12.495 -4.219 7 766 2785 1387 1532 Selective Selective 17238 2TGI ASP 23 E -9.86 11.173 -12.423 -4.056 7 585 2305 1428 1519 Gatekeeper Selective 17239 2TGI PHE 24 H -9.806 11.847 -12.497 -4.341 7 519 2035 1424 1472 Gatekeeper Selective 17240 2TGI LYS 25 H -6.395 5.097 -9.359 -3.387 2 317 1331 1413 1381 Inactive Selective 17241 2TGI ARG 26 H -6.354 5.232 -9.443 -3.396 2 227 1029 1395 1274 Inactive Selective 17242 2TGI ASP 27 H -5.991 6.867 -9.576 -4.029 2 154 725 1370 1130 Inactive Selective 17243 2TGI LEU 28 H -5.628 7.894 -8.338 -3.748 2 117 597 1358 975 Inactive Selective 17244 2TGI GLY 29 C -5.364 9.115 -7.353 -3.639 2 114 615 1322 782 Inactive Selective 17245 2TGI TRP 30 T -5.449 10.133 -6.895 -3.682 2 131 752 1264 622 Inactive Selective 17246 2TGI LYS 31 T -5.452 10.21 -6.858 -3.689 2 137 757 1211 500 Inactive Selective 17247 2TGI TRP 32 T -5.572 10.527 -6.21 -3.443 1 163 876 1143 434 Inactive Selective 17248 2TGI ILE 33 E -5.883 11.488 -5.79 -3.453 4 153 877 1062 371 Inactive Permissive 17249 2TGI HIS 34 E -6.738 9.744 -8.173 -3.34 4 150 872 992 322 Inactive Permissive 17250 2TGI GLU 35 E -7.06 7.127 -9.602 -3.249 2 152 984 927 276 Inactive Inactive 17251 2TGI PRO 36 T -7.162 5.99 -9.804 -3.09 2 154 1214 868 250 Inactive Inactive 17252 2TGI LYS 37 T -7.165 5.957 -9.799 -3.085 2 160 1355 831 232 Inactive Inactive 17253 2TGI GLY 38 E -7.247 5.65 -9.827 -3.124 2 154 1428 796 221 Inactive Inactive 17254 2TGI TYR 39 E -10.695 10.864 -13.668 -4.003 7 123 1450 763 207 Inactive Inactive 17255 2TGI ASN 40 E -10.551 10.558 -13.692 -4.109 7 134 1719 722 182 Inactive Inactive 17256 2TGI ALA 41 C -10.331 10.017 -13.65 -4.036 5 136 1778 644 143 Inactive Inactive 17257 2TGI ASN 42 C -8.956 9.095 -13.659 -5.227 6 140 1852 589 111 Inactive Inactive 17258 2TGI PHE 43 E -8.195 6.488 -12.331 -3.98 5 121 1792 539 83 Inactive Inactive 17259 2TGI CYS 44 E -7.895 5.503 -12.552 -3.85 5 184 1813 486 55 Inactive Inactive 17260 2TGI ALA 45 E -7.684 5.009 -12.448 -3.638 5 251 1754 438 27 Inactive Inactive 17261 2TGI GLY 46 C -7.589 5.47 -12.289 -3.669 5 327 1750 383 12 Inactive Inactive 17262 2TGI ALA 47 B -7.588 5.587 -12.153 -3.611 5 366 1715 333 7 Inactive Inactive 17263 2TGI CYS 48 C -7.765 5.626 -12.269 -3.649 5 421 1619 301 5 Inactive Inactive 17264 2TGI PRO 49 T -7.985 6.458 -11.976 -3.649 5 504 1403 286 7 Inactive Inactive 17265 2TGI TYR 50 T -8.392 9.055 -11.743 -4.156 5 737 1249 283 8 Permissive Inactive 17266 2TGI LEU 51 T -8.921 10.384 -12.189 -4.598 5 820 1165 290 15 Permissive Inactive 17267 2TGI TRP 52 T -10.115 11.451 -12.527 -4.056 7 892 1032 294 22 Permissive Inactive 17268 2TGI SER 53 T -10.077 9.878 -13.457 -4.159 5 1018 737 288 28 Permissive Inactive 17269 2TGI SER 54 T -9.598 5.232 -15.251 -4.389 6 1075 579 305 32 Permissive Inactive 17270 2TGI ASP 55 C -9.271 4.316 -15.314 -4.271 5 1099 437 310 35 Permissive Inactive 17271 2TGI THR 56 C -9.217 4.436 -15.299 -4.24 5 1092 307 327 39 Permissive Inactive 17272 2TGI GLN 57 H -9.146 4.686 -15.342 -4.28 5 1030 238 351 50 Permissive Inactive 17273 2TGI HIS 58 H -9.173 4.695 -15.268 -4.259 5 946 188 381 69 Permissive Inactive 17274 2TGI SER 59 H -9.457 4.892 -15.263 -4.203 6 878 191 425 99 Permissive Inactive 17275 2TGI ARG 60 H -10.083 6.464 -15.526 -4.318 6 840 266 469 123 Permissive Inactive 17276 2TGI VAL 61 H -10.334 7.068 -15.587 -4.47 6 791 319 518 146 Permissive Inactive 17277 2TGI LEU 62 H -11.502 9.238 -14.696 -3.522 6 711 396 561 165 Permissive Inactive 17278 2TGI SER 63 H -11.484 10.475 -15.516 -4.521 6 477 456 624 191 Inactive Inactive 17279 2TGI LEU 64 H -8.988 7.903 -12.136 -3.78 5 454 968 702 205 Inactive Inactive 17280 2TGI TYR 65 H -8.468 7.809 -12.215 -3.95 5 402 1355 786 221 Inactive Inactive 17281 2TGI ASN 66 H -7.759 5.273 -12.202 -3.618 5 294 1899 877 259 Inactive Inactive 17282 2TGI THR 67 H -5.913 3.557 -10.649 -3.761 2 260 2353 969 324 Gatekeeper Permissive 17283 2TGI ILE 68 H -5.573 3.335 -9.916 -3.248 1 242 2776 1070 386 Gatekeeper Permissive 17284 2TGI ASN 69 C -5.344 2.924 -9.736 -3.024 1 258 3294 1135 424 Gatekeeper Permissive 17285 2TGI PRO 70 G -5.101 2.842 -9.205 -2.731 1 283 3724 1184 447 Gatekeeper Selective 17286 2TGI GLU 71 G -5.079 2.869 -9.225 -2.728 1 290 3767 1225 460 Gatekeeper Selective 17287 2TGI ALA 72 G -5.226 2.793 -8.83 -2.432 1 301 3808 1246 453 Gatekeeper Selective 17288 2TGI SER 73 C -5.386 2.742 -8.794 -2.383 1 308 3894 1255 447 Gatekeeper Selective 17289 2TGI ALA 74 C -5.636 3.098 -8.497 -2.293 1 299 3979 1249 443 Gatekeeper Selective 17290 2TGI SER 75 C -6.677 5.082 -10.147 -2.947 1 294 4015 1223 441 Gatekeeper Selective 17291 2TGI PRO 76 C -7.163 7.316 -10.235 -3.216 4 299 4097 1164 435 Gatekeeper Selective 17292 2TGI CYS 77 C -7.527 6.294 -10.902 -3.043 2 329 3791 1096 432 Gatekeeper Selective 17293 2TGI CYS 78 E -7.766 6.389 -11.471 -3.378 3 379 3509 1017 429 Gatekeeper Selective 17294 2TGI VAL 79 E -7.65 6.733 -11.479 -3.608 3 535 3146 950 412 Gatekeeper Inactive 17295 2TGI SER 80 E -7.747 7.278 -11.601 -3.87 5 854 3063 885 368 Selective Inactive 17296 2TGI GLN 81 E -7.953 8.291 -12.175 -4.467 5 960 2888 831 338 Selective Inactive 17297 2TGI ASP 82 E -7.918 9.138 -11.724 -4.466 5 1048 2568 818 343 Selective Inactive 17298 2TGI LEU 83 E -7.513 10.76 -9.713 -4.029 4 1193 2328 837 369 Selective Inactive 17299 2TGI GLU 84 E -7.54 11.804 -9.025 -3.9 4 1508 2874 872 408 Selective Inactive 17300 2TGI PRO 85 E -7.514 12.361 -8.563 -3.769 4 1921 3548 931 458 Selective Gatekeeper 17301 2TGI LEU 86 E -7.595 12.873 -8.053 -3.648 4 2294 3889 1009 519 Selective Selective 17302 2TGI THR 87 E -7.664 12.944 -7.666 -3.491 4 2488 4071 1086 557 Selective Selective 17303 2TGI ILE 88 E -8.268 14.199 -7.602 -3.399 4 2666 4375 1193 594 Selective Selective 17304 2TGI LEU 89 E -7.585 14.444 -10.139 -6.299 4 2762 4484 1303 629 Selective Selective 17305 2TGI TYR 90 E -6.583 11.628 -9.107 -5.083 4 2744 4428 1396 653 Selective Selective 17306 2TGI TYR 91 E -2.044 5.821 -2.703 -2.815 1 2704 4391 1481 683 Selective Selective 17307 2TGI ILE 92 E -0.379 5.231 -2.521 -3.553 1 2547 4253 1562 695 Selective Selective 17308 2TGI GLY 93 T -0.375 5.249 -2.554 -3.565 1 2234 3922 1634 714 Selective Selective 17309 2TGI LYS 94 T -0.374 5.256 -2.561 -3.567 1 2134 3678 1675 722 Selective Selective 17310 2TGI THR 95 E -0.374 5.256 -2.561 -3.567 1 2029 3480 1711 733 Selective Selective 17311 2TGI PRO 96 E -0.457 4.705 -2.311 -3.35 1 1853 3287 1716 741 Selective Selective 17312 2TGI LYS 97 E -3.747 4.78 -5.909 -2.918 1 1524 2644 1707 754 Selective Selective 17313 2TGI ILE 98 E -4.741 6.844 -5.728 -2.749 1 1100 1884 1660 756 Permissive Selective 17314 2TGI GLU 99 E -6.302 9.612 -9.558 -4.473 4 770 1396 1600 753 Permissive Selective 17315 2TGI GLN 100 E -6.38 9.06 -9.135 -3.987 4 - - - - - - 17316 2TGI LEU 101 E -6.484 8.696 -8.797 -3.643 2 - - - - - - 17317 2TGI SER 102 E -6.512 8.605 -8.615 -3.519 2 - - - - - - 17318 2TGI ASN 103 E -6.549 8.656 -8.504 -3.522 2 - - - - - - 17319 2TGI MET 104 E -6.773 9.242 -8.048 -3.488 4 - - - - - - 17320 2TGI ILE 105 E -8.241 11.431 -9.378 -3.64 4 - - - - - - 17321 2TGI VAL 106 E -9.098 13.521 -10.235 -4.324 4 - - - - - - 17322 2TGI LYS 107 E -10.683 13.406 -11.44 -4.036 7 - - - - - - 17323 2TGI SER 108 E -12.808 13.555 -14.123 -4.097 7 - - - - - - 17324 2TGI CYS 109 E -12.109 7.759 -16.061 -3.961 6 - - - - - - 17325 2TGI LYS 110 E -12.109 7.759 -16.061 -3.961 6 - - - - - - 17326 2TGI CYS 111 E -12.109 7.759 -16.061 -3.961 6 - - - - - - 17327 2TGI SER 112 C -12.109 7.759 -16.061 -3.961 6 - - - - - - 17328 3FIB GLN 144 C -3.438 7.632 -5.662 -3.649 1 - - - - - - 17329 3FIB ILE 145 E -3.438 7.632 -5.662 -3.649 1 - - - - - - 17330 3FIB HIS 146 E -3.438 7.632 -5.662 -3.649 1 - - - - - - 17331 3FIB ASP 147 E -3.438 7.632 -5.662 -3.649 1 - - - - - - 17332 3FIB ILE 148 E -4.208 9.526 -6.312 -4.27 2 - - - - - - 17333 3FIB THR 149 E -5.17 10.61 -7.889 -5.107 4 - - - - - - 17334 3FIB GLY 150 E -6.479 11.329 -10.161 -6.05 4 - - - - - - 17335 3FIB LYS 151 T -9.86 13.715 -15.125 -7.37 8 - - - - - - 17336 3FIB ASP 152 T -11.613 9.146 -17.946 -5.604 6 - - - - - - 17337 3FIB CYS 153 H -12.036 8.441 -18.965 -5.865 8 - - - - - - 17338 3FIB GLN 154 H -11.663 10.674 -16.57 -5.401 8 - - - - - - 17339 3FIB ASP 155 H -8.993 10.196 -12.319 -4.723 5 - - - - - - 17340 3FIB ILE 156 H -7.529 8.594 -11.441 -4.713 5 1399 1987 1380 1823 Permissive Inactive 17341 3FIB ALA 157 H -7.152 7.752 -11.82 -4.712 3 1726 2375 1370 1801 Permissive Inactive 17342 3FIB ASN 158 H -6.452 6.097 -11.836 -4.727 3 1960 2600 1353 1755 Selective Inactive 17343 3FIB LYS 159 H -5.863 5.822 -11.032 -4.519 3 2118 2804 1337 1686 Selective Inactive 17344 3FIB GLY 160 C -5.824 5.771 -11.103 -4.499 3 2254 3063 1311 1593 Selective Inactive 17345 3FIB ALA 161 C -5.85 5.628 -11.11 -4.486 3 2236 2951 1272 1477 Selective Inactive 17346 3FIB LYS 162 C -5.881 5.569 -11.053 -4.473 3 2149 2805 1229 1303 Selective Inactive 17347 3FIB GLN 163 C -6.063 5.642 -10.768 -4.38 3 2038 2701 1176 1102 Selective Inactive 17348 3FIB SER 164 C -7.335 5.502 -12.35 -4.254 5 1978 2696 1129 896 Selective Inactive 17349 3FIB GLY 165 E -8.536 6.392 -13.539 -4.316 5 1929 2840 1106 804 Selective Inactive 17350 3FIB LEU 166 E -9.529 8.52 -13.595 -4.492 5 2014 2986 1125 782 Selective Inactive 17351 3FIB TYR 167 E -12.226 15.64 -15.119 -5.315 8 2149 3230 1189 881 Selective Inactive 17352 3FIB PHE 168 E -12.005 17.823 -13.825 -5.427 8 2230 3290 1271 959 Selective Inactive 17353 3FIB ILE 169 E -8.645 12.891 -9.921 -4.332 4 2228 3241 1335 959 Selective Inactive 17354 3FIB LYS 170 C -6.85 11.239 -8.488 -4.241 4 2053 3047 1377 962 Selective Inactive 17355 3FIB PRO 171 T -5.442 9.026 -7.589 -3.968 2 1984 2995 1421 981 Selective Inactive 17356 3FIB LEU 172 T -4.957 7.641 -8.276 -4.121 2 1929 2810 1472 1054 Selective Inactive 17357 3FIB LYS 173 T -4.874 7.741 -8.442 -4.209 2 1948 2561 1541 1183 Selective Inactive 17358 3FIB ALA 174 T -4.874 7.739 -8.445 -4.21 2 2075 2615 1618 1346 Selective Inactive 17359 3FIB ASN 175 T -4.893 7.628 -8.45 -4.211 2 2249 2709 1697 1568 Selective Inactive 17360 3FIB GLN 176 T -5.157 6.971 -8.984 -4.361 2 2569 2988 1785 1831 Selective Permissive 17361 3FIB GLN 177 T -6.065 8.505 -9.59 -4.796 3 2979 3455 1846 2117 Selective Permissive 17362 3FIB PHE 178 E -8.213 12.351 -11.098 -5.028 7 3612 4344 1900 2387 Selective Permissive 17363 3FIB LEU 179 E -8.631 13.317 -10.677 -5.053 7 3685 4421 1928 2681 Selective Permissive 17364 3FIB VAL 180 E -10.926 16.584 -11.874 -4.968 7 3720 4477 1933 2977 Selective Permissive 17365 3FIB TYR 181 E -13.019 19.542 -14.377 -5.324 8 3838 4782 1950 3343 Selective Permissive 17366 3FIB CYS 182 E -10.117 7.483 -16.177 -5.498 6 3877 5192 1945 3721 Selective Permissive 17367 3FIB GLU 183 E -8.635 6.707 -14.287 -5.044 6 3842 5504 1963 4205 Selective Permissive 17368 3FIB ILE 184 E -5.541 4.669 -10.595 -4.592 3 3784 5760 2005 4822 Selective Permissive 17369 3FIB ASP 185 T -5.394 4.223 -11.186 -4.708 3 3902 6308 2053 5422 Selective Selective 17370 3FIB GLY 186 T -5.311 4.13 -11.463 -4.781 3 3875 6750 2078 5895 Selective Selective 17371 3FIB SER 187 T -5.311 4.129 -11.462 -4.781 3 3716 6782 2105 6346 Selective Selective 17372 3FIB GLY 188 T -5.313 4.12 -11.453 -4.78 3 3514 6744 2126 6754 Selective Selective 17373 3FIB ASN 189 C -5.983 2.992 -13.293 -5.18 3 3148 6364 2142 7144 Selective Selective 17374 3FIB GLY 190 E -6.517 3.511 -13.305 -5.267 3 2683 5752 2172 7519 Selective Selective 17375 3FIB TRP 191 E -11.584 13.049 -16.539 -5.976 8 2053 4536 2205 7878 Selective Selective 17376 3FIB THR 192 E -12.119 16.093 -15.768 -6.1 8 1808 4015 2226 8038 Selective Selective 17377 3FIB VAL 193 E -12.607 19.191 -14.24 -5.831 8 1628 3630 2255 8077 Selective Selective 17378 3FIB PHE 194 E -12.927 21.117 -13.062 -5.733 8 1385 3152 2267 8071 Selective Selective 17379 3FIB GLN 195 E -14.635 19.773 -16.868 -6.258 8 1118 2481 2280 8039 Gatekeeper Selective 17380 3FIB LYS 196 E -12.773 13.037 -17.736 -6.248 8 949 1958 2284 7892 Inactive Selective 17381 3FIB ARG 197 E -10.592 10.495 -15.398 -5.606 6 775 1504 2264 7600 Inactive Selective 17382 3FIB LEU 198 C -7.171 9.116 -10.434 -4.658 5 525 916 2229 7409 Inactive Selective 17383 3FIB ASP 199 C -6.406 6.877 -11.181 -4.754 3 421 450 2197 7518 Inactive Selective 17384 3FIB GLY 200 C -6.401 6.91 -11.194 -4.756 3 389 307 2160 7602 Inactive Selective 17385 3FIB SER 201 C -6.401 6.912 -11.195 -4.756 3 324 141 2124 7639 Inactive Selective 17386 3FIB VAL 202 C -6.401 6.914 -11.193 -4.756 3 327 98 2065 7581 Inactive Selective 17387 3FIB ASP 203 C -6.589 6.096 -11.482 -4.794 3 328 95 1987 7406 Inactive Selective 17388 3FIB PHE 204 C -9.145 11.055 -12.797 -5.063 6 278 100 1903 7215 Inactive Selective 17389 3FIB LYS 205 C -10.449 13.991 -13.807 -5.378 7 301 98 1831 7119 Inactive Selective 17390 3FIB LYS 206 C -10.651 14.714 -13.91 -5.63 8 307 96 1738 7039 Inactive Gatekeeper 17391 3FIB ASN 207 C -11.227 14.163 -15.555 -6.052 8 311 92 1640 6884 Inactive Gatekeeper 17392 3FIB TRP 208 H -11.719 13.813 -16.131 -5.986 8 345 151 1560 6643 Inactive Gatekeeper 17393 3FIB ILE 209 H -11.359 13.297 -16.043 -5.881 8 347 169 1480 6304 Inactive Gatekeeper 17394 3FIB GLN 210 H -11.306 13.354 -16.073 -5.923 8 367 376 1418 5930 Inactive Gatekeeper 17395 3FIB TYR 211 H -11.524 13.706 -16.05 -5.916 8 375 622 1354 5405 Inactive Gatekeeper 17396 3FIB LYS 212 H -8.237 12.446 -11.318 -5.645 7 329 903 1281 4645 Inactive Inactive 17397 3FIB GLU 213 H -6.646 10.319 -9.728 -4.993 4 309 1188 1212 3912 Inactive Inactive 17398 3FIB GLY 214 C -6.111 11.738 -8.462 -4.816 4 297 1477 1168 3251 Inactive Inactive 17399 3FIB PHE 215 E -6.088 11.836 -8.489 -4.821 4 456 1977 1154 2696 Inactive Inactive 17400 3FIB GLY 216 E -5.967 11.64 -8.574 -4.743 4 803 2463 1172 2276 Inactive Inactive 17401 3FIB HIS 217 C -5.945 11.542 -8.59 -4.693 4 906 2689 1199 1969 Gatekeeper Inactive 17402 3FIB LEU 218 C -6.031 11.812 -8.386 -4.574 4 1046 2977 1226 1790 Gatekeeper Inactive 17403 3FIB SER 219 T -5.209 6.849 -8.933 -4.238 2 1282 3264 1264 1769 Selective Inactive 17404 3FIB PRO 220 T -4.537 6.982 -8.438 -4.427 2 1554 3515 1321 1971 Selective Inactive 17405 3FIB THR 221 T -4.542 6.923 -8.464 -4.437 2 1610 3470 1398 2439 Selective Inactive 17406 3FIB GLY 222 T -4.545 6.906 -8.457 -4.438 2 1655 3462 1473 3183 Selective Inactive 17407 3FIB THR 223 C -4.553 6.854 -8.444 -4.437 2 1645 3262 1549 4134 Selective Inactive 17408 3FIB THR 224 C -4.757 7.079 -8.258 -4.529 2 1686 3063 1635 5264 Selective Gatekeeper 17409 3FIB GLU 225 C -7.359 7.611 -12.546 -5.489 3 1695 2806 1740 6507 Selective Gatekeeper 17410 3FIB PHE 226 E -11.552 13.075 -15.544 -5.814 8 1736 2568 1853 7633 Selective Selective 17411 3FIB TRP 227 E -13.914 17.836 -16.844 -5.927 8 1734 2288 1924 8507 Permissive Selective 17412 3FIB LEU 228 C -12.867 14.102 -17.044 -5.839 8 1578 1791 1970 9151 Permissive Selective 17413 3FIB GLY 229 C -12.146 13.59 -16.502 -5.79 8 1319 1297 1990 9591 Permissive Selective 17414 3FIB ASN 230 H -12.131 13.621 -16.535 -5.793 8 1220 1053 2000 9797 Inactive Selective 17415 3FIB GLU 231 H -11.983 14.009 -16.255 -5.69 8 1073 782 2007 9780 Inactive Selective 17416 3FIB LYS 232 H -11.931 14.42 -15.975 -5.615 8 840 512 1996 9561 Inactive Selective 17417 3FIB ILE 233 H -11.988 14.868 -15.618 -5.508 8 597 319 1964 9142 Inactive Selective 17418 3FIB HIS 234 H -12.157 16.073 -14.855 -5.148 8 541 356 1915 8547 Inactive Selective 17419 3FIB LEU 235 H -12.143 16.087 -14.873 -5.156 8 517 437 1852 7767 Inactive Selective 17420 3FIB ILE 236 H -12.249 15.978 -15.091 -5.183 8 518 541 1775 6818 Inactive Gatekeeper 17421 3FIB SER 237 H -10.974 9.753 -16.314 -5.448 6 474 561 1681 5715 Inactive Gatekeeper 17422 3FIB THR 238 H -8.263 9.369 -12.043 -4.894 5 450 588 1574 4563 Inactive Inactive 17423 3FIB GLN 239 G -7.862 8.808 -12.019 -4.659 5 408 587 1476 3614 Inactive Inactive 17424 3FIB SER 240 G -7.745 9.184 -11.775 -4.54 5 405 626 1407 2957 Inactive Inactive 17425 3FIB ALA 241 G -7.736 9.24 -11.769 -4.53 5 385 693 1373 2595 Inactive Inactive 17426 3FIB ILE 242 C -7.738 9.242 -11.751 -4.527 5 293 728 1377 2504 Inactive Inactive 17427 3FIB PRO 243 C -8.049 9.157 -11.58 -4.277 5 268 785 1399 2670 Inactive Inactive 17428 3FIB TYR 244 E -8.716 11.08 -10.716 -3.986 4 238 786 1436 3100 Inactive Inactive 17429 3FIB ALA 245 E -10.2 13.024 -11.411 -3.92 7 216 767 1506 3687 Inactive Inactive 17430 3FIB LEU 246 E -12.253 17.494 -13.289 -4.604 7 179 713 1580 4299 Inactive Inactive 17431 3FIB ARG 247 E -12.696 17.285 -14.795 -5.209 8 144 661 1635 4864 Inactive Inactive 17432 3FIB VAL 248 E -12.586 16.809 -15.237 -5.37 8 119 572 1680 5284 Inactive Gatekeeper 17433 3FIB GLU 249 E -12.597 16.746 -15.263 -5.388 8 104 470 1728 5591 Inactive Gatekeeper 17434 3FIB LEU 250 E -12.942 16.724 -16.179 -5.739 8 100 408 1778 5888 Inactive Gatekeeper 17435 3FIB GLU 251 E -11.423 10.941 -17.437 -6.47 8 89 339 1820 6073 Inactive Selective 17436 3FIB ASP 252 T -9.836 8.539 -15.462 -5.525 6 82 293 1842 6094 Inactive Selective 17437 3FIB TRP 253 T -7.295 9.458 -11.207 -5.24 3 118 309 1851 6076 Inactive Selective 17438 3FIB ASN 254 T -6.717 7.582 -11.796 -5.148 3 113 283 1835 5994 Inactive Selective 17439 3FIB GLY 255 T -6.69 7.605 -11.867 -5.151 3 115 246 1796 5769 Inactive Selective 17440 3FIB ARG 256 C -6.69 7.608 -11.87 -5.15 3 124 188 1787 5447 Inactive Selective 17441 3FIB THR 257 E -6.692 7.607 -11.855 -5.149 3 205 236 1771 5050 Inactive Gatekeeper 17442 3FIB SER 258 E -6.953 6.575 -12.247 -5.101 3 250 285 1743 4591 Inactive Inactive 17443 3FIB THR 259 E -8.519 8.224 -13.484 -5.204 6 301 392 1727 4155 Inactive Inactive 17444 3FIB ALA 260 E -10.321 10.318 -14.545 -4.873 6 347 577 1717 3756 Inactive Inactive 17445 3FIB ASP 261 E -11.183 11.568 -15.097 -5.22 6 401 784 1746 3501 Inactive Inactive 17446 3FIB TYR 262 E -13.532 16.759 -15.95 -5.009 8 459 1050 1782 3437 Inactive Permissive 17447 3FIB ALA 263 E -12.039 16.56 -12.963 -4.628 7 507 1187 1824 3395 Inactive Permissive 17448 3FIB MET 264 E -11.134 15.5 -12.905 -4.922 7 578 1370 1860 3525 Inactive Permissive 17449 3FIB PHE 265 E -10.38 14.894 -12.229 -4.788 7 628 1506 1907 3795 Inactive Permissive 17450 3FIB LYS 266 E -9.994 12.45 -13.299 -4.805 7 741 1744 1948 4018 Inactive Permissive 17451 3FIB VAL 267 E -7.806 8.199 -11.339 -4.286 5 853 1975 1970 4138 Inactive Permissive 17452 3FIB GLY 268 C -7.161 6.024 -12.508 -4.622 3 1029 2404 1972 4356 Inactive Permissive 17453 3FIB PRO 269 C -7.138 6.023 -12.607 -4.644 3 1242 2801 1958 4580 Selective Permissive 17454 3FIB GLU 270 G -7.139 5.997 -12.61 -4.644 3 1363 2798 1933 4714 Selective Permissive 17455 3FIB ALA 271 G -7.142 5.982 -12.603 -4.643 3 1416 2935 1922 4802 Selective Permissive 17456 3FIB ASP 272 G -7.368 5 -13.215 -4.816 3 1541 3290 1898 4863 Selective Permissive 17457 3FIB LYS 273 T -9.054 6.222 -15.057 -5.185 6 1713 3697 1884 4914 Selective Selective 17458 3FIB TYR 274 T -12.485 11.248 -18.059 -6.015 8 1903 4281 1855 4957 Selective Selective 17459 3FIB ARG 275 T -14.013 13.352 -18.799 -5.748 8 2180 4878 1828 4849 Selective Permissive 17460 3FIB LEU 276 E -13.192 16.507 -15.038 -5.131 8 2554 5624 1781 4691 Selective Permissive 17461 3FIB THR 277 E -12.377 17.453 -13.901 -5.208 8 2881 6306 1756 4388 Selective Inactive 17462 3FIB TYR 278 E -11.397 17.877 -11.916 -4.819 7 3142 7221 1751 3998 Selective Inactive 17463 3FIB ALA 279 E -8.286 11.762 -9.949 -4.249 4 3155 7619 1745 3632 Selective Inactive 17464 3FIB TYR 280 E -7.34 11.218 -9.708 -4.505 4 3201 8191 1763 3339 Selective Inactive 17465 3FIB PHE 281 E -6.252 8.495 -9.873 -4.599 3 3065 8618 1780 2973 Selective Inactive 17466 3FIB ALA 282 E -5.551 6.876 -9.833 -4.457 2 2889 9025 1790 2621 Selective Permissive 17467 3FIB GLY 283 E -5.276 6.055 -10.338 -4.564 2 2760 9967 1804 2336 Selective Permissive 17468 3FIB GLY 284 T -5.266 6.045 -10.385 -4.576 2 2664 10186 1829 2101 Selective Permissive 17469 3FIB ASP 285 T -5.28 5.923 -10.406 -4.576 2 2485 9804 1871 1905 Selective Permissive 17470 3FIB ALA 286 T -5.385 5.524 -10.503 -4.568 3 2266 9281 1901 1734 Selective Permissive 17471 3FIB GLY 287 T -5.826 4.822 -11.262 -4.76 3 2023 8766 1920 1548 Selective Permissive 17472 3FIB ASP 288 C -7.478 7.391 -12.373 -5.001 3 1689 8047 1898 1421 Selective Permissive 17473 3FIB ALA 289 G -9.149 11.299 -12.976 -4.951 7 1264 7421 1891 1327 Selective Permissive 17474 3FIB PHE 290 G -9.594 14.322 -12.41 -5.274 7 865 6892 1871 1240 Gatekeeper Permissive 17475 3FIB ASP 291 G -9.381 14.378 -12.426 -5.415 7 559 6004 1804 1165 Gatekeeper Permissive 17476 3FIB GLY 292 C -7.859 12.428 -10.742 -5.393 4 434 5793 1729 1080 Gatekeeper Inactive 17477 3FIB PHE 293 C -7.741 12.098 -11.041 -5.409 4 353 5360 1653 1020 Gatekeeper Inactive 17478 3FIB ASP 294 C -7.36 10.757 -11.627 -5.471 3 351 4656 1617 1004 Gatekeeper Inactive 17479 3FIB PHE 295 C -6.829 8.624 -11.814 -5.244 3 354 4040 1582 1009 Gatekeeper Inactive 17480 3FIB GLY 296 T -4.787 3.07 -10.417 -4.474 2 497 3224 1556 1042 Gatekeeper Inactive 17481 3FIB ASP 297 T -4.777 3.067 -10.453 -4.47 2 649 2882 1503 1164 Gatekeeper Inactive 17482 3FIB ASP 298 T -4.777 3.06 -10.454 -4.469 2 731 2838 1457 1367 Gatekeeper Inactive 17483 3FIB PRO 299 T -4.78 3.026 -10.445 -4.462 2 816 2819 1446 1723 Gatekeeper Inactive 17484 3FIB SER 300 H -4.791 2.947 -10.417 -4.45 2 864 2580 1449 2251 Gatekeeper Inactive 17485 3FIB ASP 301 H -7.012 5.332 -12.298 -4.512 3 895 2467 1496 2971 Inactive Inactive 17486 3FIB LYS 302 H -8.423 7.044 -13.43 -4.463 5 913 2228 1551 3801 Inactive Inactive 17487 3FIB PHE 303 H -8.904 7.204 -13.417 -4.419 5 1007 2008 1626 4876 Inactive Inactive 17488 3FIB PHE 304 H -11.507 10.755 -16.602 -5.242 6 1005 1856 1725 6088 Inactive Gatekeeper 17489 3FIB THR 305 H -11.925 11.309 -17.619 -5.652 8 982 1379 1852 7336 Inactive Selective 17490 3FIB SER 306 C -12.075 10.231 -18.117 -5.538 8 949 981 1979 8432 Inactive Selective 17491 3FIB HIS 307 T -12.191 9.732 -18.546 -5.672 8 991 865 2070 9493 Inactive Selective 17492 3FIB ASN 308 T -12.184 9.758 -18.582 -5.698 8 1130 780 2160 10420 Inactive Selective 17493 3FIB GLY 309 T -12.183 9.762 -18.588 -5.7 8 1097 646 2250 11183 Inactive Selective 17494 3FIB MET 310 B -12.717 9.493 -19.469 -5.895 8 1107 672 2339 11718 Inactive Selective 17495 3FIB GLN 311 C -13.665 11.858 -20.45 -6.534 8 1157 697 2408 12080 Inactive Selective 17496 3FIB PHE 312 C -13.702 14.633 -18.389 -6.018 8 1172 722 2440 12189 Inactive Selective 17497 3FIB SER 313 B -11.97 11.827 -16.92 -5.927 8 1240 745 2451 12023 Permissive Selective 17498 3FIB THR 314 B -10.924 10.276 -16.67 -5.952 8 1390 919 2419 11598 Permissive Selective 17499 3FIB TRP 315 T -10.907 10.215 -16.785 -5.966 8 1560 1122 2366 10983 Permissive Selective 17500 3FIB ASP 316 T -10.898 10.149 -16.874 -5.976 6 1783 1262 2296 10082 Permissive Selective 17501 3FIB ASN 317 B -10.895 10.084 -16.927 -5.982 6 2056 1536 2233 9132 Permissive Selective 17502 3FIB ASP 318 T -10.989 9.776 -16.986 -5.998 6 2256 1730 2175 8239 Permissive Selective 17503 3FIB ASN 319 C -12.372 7.725 -21.314 -6.443 8 2363 2005 2127 7577 Permissive Selective 17504 3FIB ASP 320 C -9.249 6.646 -15.69 -5.653 6 2420 2222 2089 6918 Permissive Selective 17505 3FIB LYS 321 C -8.566 6.966 -15.259 -5.775 6 2412 2703 2066 6457 Selective Selective 17506 3FIB PHE 322 T -8.154 6.648 -15.191 -5.783 6 2322 3140 2040 6216 Selective Selective 17507 3FIB GLU 323 T -7.969 6.415 -15.143 -5.649 6 2394 3746 2023 6215 Selective Selective 17508 3FIB GLY 324 T -7.959 6.425 -15.164 -5.644 6 2538 4361 2010 6424 Selective Selective 17509 3FIB ASN 325 T -8.029 6.402 -15.104 -5.643 6 2678 4703 1996 6845 Selective Selective 17510 3FIB CYS 326 H -8.221 6.131 -15.12 -5.571 6 2747 4874 2009 7502 Selective Selective 17511 3FIB ALA 327 H -8.709 5.88 -15.121 -5.291 6 2802 4887 2062 8364 Selective Selective 17512 3FIB GLU 328 H -10.33 7.339 -16.696 -5.384 6 2890 4915 2134 9484 Selective Selective 17513 3FIB GLN 329 H -11.571 9.68 -18.298 -5.898 8 2748 4822 2190 10780 Selective Selective 17514 3FIB ASP 330 H -11.917 10.327 -18.58 -5.948 8 2673 4732 2236 12005 Selective Selective 17515 3FIB GLY 331 C -11.935 10.716 -18.355 -5.941 8 2568 4648 2273 13146 Selective Selective 17516 3FIB SER 332 C -12.361 11.422 -18.676 -6.059 8 2476 4382 2296 14188 Selective Selective 17517 3FIB GLY 333 C -12.473 11.753 -18.373 -6.008 8 2382 4166 2326 15236 Selective Selective 17518 3FIB TRP 334 B -12.857 13.841 -17.329 -5.899 8 2548 3737 2340 16076 Selective Selective 17519 3FIB TRP 335 C -13.668 18.165 -15.92 -5.924 8 2535 3290 2328 16660 Selective Selective 17520 3FIB MET 336 T -14.545 16.602 -19.709 -6.967 8 2307 2612 2307 17040 Selective Selective 17521 3FIB ASN 337 T -13.38 12.623 -19.062 -6.354 8 2067 2005 2268 17103 Permissive Selective 17522 3FIB LYS 338 T -10.973 11.681 -15.528 -5.817 8 1888 1612 2232 16901 Permissive Selective 17523 3FIB CYS 339 T -10.884 11.563 -15.716 -5.772 8 1729 1392 2176 16413 Permissive Selective 17524 3FIB HIS 340 T -10.81 11.862 -15.611 -5.708 8 1548 1171 2088 15670 Permissive Selective 17525 3FIB ALA 341 T -10.738 11.913 -15.622 -5.656 8 1363 952 1984 14634 Permissive Selective 17526 3FIB GLY 342 E -10.462 11.589 -15.689 -5.713 8 1207 797 1887 13405 Inactive Selective 17527 3FIB HIS 343 E -10.721 11.52 -15.92 -5.627 8 1008 603 1786 12112 Inactive Selective 17528 3FIB LEU 344 T -10.768 11.685 -15.816 -5.638 8 906 486 1677 10751 Inactive Gatekeeper 17529 3FIB ASN 345 T -10.832 11.41 -15.952 -5.691 8 859 470 1583 9331 Inactive Gatekeeper 17530 3FIB GLY 346 T -10.459 12.284 -14.723 -5.438 6 828 429 1480 7874 Inactive Gatekeeper 17531 3FIB VAL 347 C -9.528 13.132 -12.295 -5.143 7 530 302 1368 6513 Inactive Gatekeeper 17532 3FIB TYR 348 C -8.699 13.735 -11.437 -5.426 7 517 479 1291 5286 Inactive Gatekeeper 17533 3FIB TYR 349 T -5.968 9.69 -8.924 -4.908 4 518 678 1209 4145 Inactive Inactive 17534 3FIB GLN 350 T -5.735 9.653 -9.085 -4.889 4 591 1170 1141 3193 Inactive Inactive 17535 3FIB GLY 351 T -5.733 9.651 -9.1 -4.889 4 560 1592 1090 2415 Inactive Inactive 17536 3FIB GLY 352 T -5.733 9.646 -9.099 -4.889 4 540 1770 1035 1811 Inactive Inactive 17537 3FIB THR 353 B -5.735 9.626 -9.098 -4.886 4 495 1942 1013 1370 Inactive Inactive 17538 3FIB TYR 354 C -6.384 9.583 -9.524 -4.852 4 458 2390 1016 1070 Inactive Inactive 17539 3FIB SER 355 T -6.826 7.152 -10.771 -4.292 3 455 2826 1032 909 Gatekeeper Inactive 17540 3FIB LYS 356 T -5.423 4.957 -10.028 -4.218 2 477 3275 1065 821 Gatekeeper Inactive 17541 3FIB ALA 357 T -4.653 4.931 -9.5 -4.36 2 547 3941 1113 904 Gatekeeper Inactive 17542 3FIB SER 358 T -4.298 5.286 -9.349 -4.51 2 587 4486 1138 1126 Gatekeeper Inactive 17543 3FIB THR 359 T -4.234 5.529 -9.354 -4.547 2 618 4941 1191 1447 Gatekeeper Inactive 17544 3FIB PRO 360 T -4.238 5.527 -9.352 -4.554 2 644 5599 1231 1819 Gatekeeper Inactive 17545 3FIB ASN 361 T -4.316 5.636 -9.265 -4.601 2 631 5616 1239 2247 Gatekeeper Inactive 17546 3FIB GLY 362 T -4.63 6.134 -9.235 -4.731 2 640 5514 1259 2706 Gatekeeper Inactive 17547 3FIB TYR 363 C -5.552 7.693 -9.508 -4.88 3 544 4982 1286 3281 Gatekeeper Inactive 17548 3FIB ASP 364 C -7.36 8.595 -11.829 -5.337 3 605 4686 1293 3949 Gatekeeper Inactive 17549 3FIB ASN 365 C -11.516 11.263 -17.871 -6.444 8 787 4721 1311 4692 Gatekeeper Inactive 17550 3FIB GLY 366 C -12.226 13.537 -17.085 -5.854 8 947 4638 1320 5418 Gatekeeper Gatekeeper 17551 3FIB ILE 367 C -12.585 16.832 -14.578 -4.855 8 1229 4219 1317 6120 Gatekeeper Gatekeeper 17552 3FIB ILE 368 E -12.593 17.264 -14.245 -4.779 7 1486 3772 1322 6801 Selective Gatekeeper 17553 3FIB TRP 369 E -12.305 19.006 -13.333 -5.122 8 1670 3315 1344 7568 Selective Gatekeeper 17554 3FIB ALA 370 T -10.193 14.799 -12.232 -5.285 7 1746 2644 1348 8283 Selective Gatekeeper 17555 3FIB THR 371 T -10.195 14.779 -12.245 -5.295 7 1917 2088 1382 9024 Permissive Gatekeeper 17556 3FIB TRP 372 T -10.196 14.765 -12.247 -5.299 7 2112 1630 1411 9820 Permissive Gatekeeper 17557 3FIB LYS 373 T -10.197 14.759 -12.246 -5.299 7 2294 944 1454 10695 Permissive Gatekeeper 17558 3FIB THR 374 T -10.205 14.686 -12.234 -5.294 7 2432 703 1525 11634 Permissive Gatekeeper 17559 3FIB ARG 375 T -13.201 15.795 -16.816 -6.032 8 2717 588 1600 12665 Permissive Gatekeeper 17560 3FIB TRP 376 T -14.323 17.341 -17.661 -6.142 8 2915 561 1680 13500 Permissive Gatekeeper 17561 3FIB TYR 377 B -15.272 16.557 -19.557 -6.078 8 2902 413 1749 13970 Permissive Gatekeeper 17562 3FIB SER 378 C -13.537 14.599 -18.176 -6.458 8 2739 188 1813 14154 Permissive Selective 17563 3FIB MET 379 C -12.883 15.418 -17.407 -6.569 8 2595 92 1868 14096 Permissive Selective 17564 3FIB LYS 380 C -12.233 15.628 -16.686 -6.626 8 - - - - - - 17565 3FIB LYS 381 E -12.144 15.744 -16.803 -6.685 8 - - - - - - 17566 3FIB THR 382 E -12.022 16.111 -16.59 -6.635 8 - - - - - - 17567 3FIB THR 383 E -11.904 16.875 -15.909 -6.486 8 - - - - - - 17568 3FIB MET 384 E -11.615 18.355 -14.112 -6.057 8 - - - - - - 17569 3FIB LYS 385 E -11.774 19.159 -13.434 -5.874 8 - - - - - - 17570 3FIB ILE 386 E -11.789 19.405 -13.216 -5.816 8 - - - - - - 17571 3FIB ILE 387 E -11.413 17.499 -13.555 -5.674 8 - - - - - - 17572 3FIB PRO 388 E -10.027 12.84 -12.697 -4.889 7 - - - - - - 17573 3FIB PHE 389 T -9.021 10.011 -12.188 -4.252 5 - - - - - - 17574 3FIB ASN 390 T -9.021 10.011 -12.188 -4.252 5 - - - - - - 17575 3FIB ARG 391 T -9.021 10.011 -12.188 -4.252 5 - - - - - - 17576 3FIB LEU 392 C -9.021 10.011 -12.188 -4.252 5 - - - - - - 17577 3IL8 LEU 5 C -5.949 3.876 -10.94 -3.827 2 - - - - - - 17578 3IL8 ARG 6 C -5.949 3.876 -10.94 -3.827 2 - - - - - - 17579 3IL8 CYS 7 C -5.949 3.876 -10.94 -3.827 2 - - - - - - 17580 3IL8 GLN 8 C -5.949 3.876 -10.94 -3.827 2 - - - - - - 17581 3IL8 CYS 9 T -6.682 7.014 -12.403 -5.121 3 - - - - - - 17582 3IL8 ILE 10 T -6.285 8.301 -10.515 -4.646 3 - - - - - - 17583 3IL8 LYS 11 T -6.149 8.975 -9.954 -4.545 4 - - - - - - 17584 3IL8 THR 12 T -5.774 9.732 -8.918 -4.369 4 - - - - - - 17585 3IL8 TYR 13 C -5.772 9.805 -8.841 -4.335 4 - - - - - - 17586 3IL8 SER 14 C -5.725 10.426 -8.35 -4.231 4 - - - - - - 17587 3IL8 LYS 15 C -5.828 11.042 -8.055 -4.217 4 - - - - - - 17588 3IL8 PRO 16 C -5.867 11.602 -7.705 -4.168 4 - - - - - - 17589 3IL8 PHE 17 C -6.326 12.999 -7.563 -4.146 4 92 801 761 647 Gatekeeper Gatekeeper 17590 3IL8 HIS 18 C -6.278 13.016 -7.622 -4.18 4 80 709 756 642 Gatekeeper Gatekeeper 17591 3IL8 PRO 19 G -6.676 13.854 -7.762 -4.265 4 79 624 754 620 Gatekeeper Gatekeeper 17592 3IL8 LYS 20 G -6.887 13.933 -7.849 -4.326 4 134 496 763 601 Gatekeeper Gatekeeper 17593 3IL8 PHE 21 G -7.394 13.424 -8.895 -4.533 4 198 568 781 559 Gatekeeper Inactive 17594 3IL8 ILE 22 E -7.519 13.309 -8.845 -4.525 4 204 595 806 518 Gatekeeper Inactive 17595 3IL8 LYS 23 E -7.714 13.193 -9.52 -4.73 4 221 582 832 477 Gatekeeper Inactive 17596 3IL8 GLU 24 E -7.652 12.811 -9.666 -4.646 4 239 636 851 434 Gatekeeper Inactive 17597 3IL8 LEU 25 E -7.178 11.649 -9.369 -4.289 4 269 725 859 395 Gatekeeper Inactive 17598 3IL8 ARG 26 E -7.069 11.044 -9.71 -4.261 4 289 765 864 361 Selective Inactive 17599 3IL8 VAL 27 E -5.744 8.346 -9.054 -4.413 2 323 774 874 318 Selective Inactive 17600 3IL8 ILE 28 E -5.455 7.121 -9.652 -4.399 2 373 784 892 303 Selective Inactive 17601 3IL8 GLU 29 C -4.979 5.493 -9.951 -4.344 2 450 753 922 330 Selective Inactive 17602 3IL8 SER 30 C -4.953 5.358 -10.088 -4.362 2 502 807 955 377 Selective Inactive 17603 3IL8 GLY 31 B -4.683 4.666 -10.29 -4.387 2 610 884 980 439 Selective Inactive 17604 3IL8 PRO 32 T -4.767 4.095 -10.565 -4.388 2 617 847 1023 533 Selective Inactive 17605 3IL8 HIS 33 T -4.844 3.911 -10.597 -4.404 2 598 708 1058 614 Selective Selective 17606 3IL8 CYS 34 B -5.186 3.706 -10.93 -4.493 3 617 624 1084 720 Selective Selective 17607 3IL8 ALA 35 T -5.236 3.664 -10.816 -4.486 2 639 590 1097 813 Selective Selective 17608 3IL8 ASN 36 C -6.87 5.996 -13.396 -5.342 3 668 583 1120 911 Selective Selective 17609 3IL8 THR 37 C -7.636 8.422 -15.161 -6.806 6 668 521 1152 1003 Selective Selective 17610 3IL8 GLU 38 E -8.146 8.397 -13.762 -5.57 6 665 440 1185 1068 Permissive Selective 17611 3IL8 ILE 39 E -9.014 11.173 -12.394 -5.139 5 686 401 1227 1119 Permissive Selective 17612 3IL8 ILE 40 E -11.647 15.74 -14.754 -5.426 8 657 360 1267 1187 Permissive Selective 17613 3IL8 VAL 41 E -11.722 15.666 -15.761 -5.893 8 608 326 1278 1218 Permissive Selective 17614 3IL8 LYS 42 E -10.101 9.429 -15.568 -5.681 6 518 237 1260 1178 Permissive Selective 17615 3IL8 LEU 43 E -7.106 6.166 -11.455 -4.293 3 456 184 1236 1120 Permissive Selective 17616 3IL8 SER 44 T -5.576 5.335 -10.446 -4.555 3 379 154 1209 1060 Permissive Selective 17617 3IL8 ASP 45 T -5.322 6.318 -10.047 -4.577 2 360 183 1149 964 Permissive Selective 17618 3IL8 GLY 46 T -5.312 6.37 -10.067 -4.58 2 323 205 1085 872 Permissive Selective 17619 3IL8 ARG 47 C -5.312 6.37 -10.066 -4.58 2 243 199 1058 783 Inactive Selective 17620 3IL8 GLU 48 E -5.34 6.389 -9.998 -4.596 2 224 210 1051 701 Inactive Gatekeeper 17621 3IL8 LEU 49 E -5.915 8.224 -9.399 -4.627 3 183 222 1041 618 Inactive Gatekeeper 17622 3IL8 CYS 50 E -7.65 9.714 -11.263 -4.821 5 180 262 1046 542 Inactive Inactive 17623 3IL8 LEU 51 E -8.064 11.812 -10.757 -4.708 4 165 270 1056 510 Inactive Permissive 17624 3IL8 ASP 52 T -7.135 7.951 -11.696 -4.829 3 144 267 1042 471 Inactive Inactive 17625 3IL8 PRO 53 T -7.131 7.897 -11.73 -4.824 3 163 285 1034 433 Inactive Inactive 17626 3IL8 LYS 54 T -7.078 8.164 -11.693 -4.818 3 196 280 1045 407 Inactive Inactive 17627 3IL8 GLU 55 T -7.088 8.105 -11.686 -4.818 3 212 278 1070 426 Inactive Permissive 17628 3IL8 ASN 56 H -7.186 7.505 -11.903 -4.851 3 225 271 1094 443 Inactive Permissive 17629 3IL8 TRP 57 H -8.38 11.007 -11.629 -4.795 5 219 223 1112 446 Inactive Permissive 17630 3IL8 VAL 58 H -8.514 11.03 -11.374 -4.75 5 213 188 1141 478 Inactive Permissive 17631 3IL8 GLN 59 H -10.614 11.526 -14.323 -4.422 7 223 166 1190 555 Inactive Permissive 17632 3IL8 ARG 60 H -9.352 11.565 -11.066 -3.766 4 - - - - - - 17633 3IL8 VAL 61 H -9.37 11.608 -10.966 -3.75 4 - - - - - - 17634 3IL8 VAL 62 H -9.329 11.803 -11.053 -3.803 4 - - - - - - 17635 3IL8 GLU 63 H -9.208 11.843 -11.445 -3.992 4 - - - - - - 17636 3IL8 LYS 64 H -9.193 11.896 -11.661 -4.159 4 - - - - - - 17637 3IL8 PHE 65 H -9.703 12.035 -14.509 -5.618 6 - - - - - - 17638 3IL8 LEU 66 H -7.725 6.416 -13.993 -5.651 6 - - - - - - 17639 3IL8 LYS 67 H -6.901 5.245 -13.248 -5.179 3 - - - - - - 17640 3IL8 ARG 68 H -6.396 4.552 -12.467 -4.602 3 - - - - - - 17641 3IL8 ALA 69 H -3.774 3.353 -7.484 -3.363 1 - - - - - - 17642 3IL8 GLU 70 H -3.774 3.353 -7.484 -3.363 1 - - - - - - 17643 3IL8 ASN 71 H -3.774 3.353 -7.484 -3.363 1 - - - - - - 17644 3IL8 SER 72 C -3.774 3.353 -7.484 -3.363 1 - - - - - - 17645 5PNT ALA 1 C -2.985 1.18 -8.642 -3.744 2 - - - - - - 17646 5PNT GLU 2 C -2.985 1.18 -8.642 -3.744 2 - - - - - - 17647 5PNT GLN 3 C -2.985 1.18 -8.642 -3.744 2 - - - - - - 17648 5PNT ALA 4 C -2.985 1.18 -8.642 -3.744 2 - - - - - - 17649 5PNT THR 5 C -3.441 1.776 -9.03 -4.187 2 - - - - - - 17650 5PNT LYS 6 E -5.15 3.896 -11.304 -5.225 3 - - - - - - 17651 5PNT SER 7 E -8.066 5.875 -15.796 -6.524 6 - - - - - - 17652 5PNT VAL 8 E -9.973 9.581 -16.996 -6.89 6 - - - - - - 17653 5PNT LEU 9 E -11.289 15.267 -14.101 -5.082 7 - - - - - - 17654 5PNT PHE 10 E -11.212 15.203 -13.467 -4.859 7 - - - - - - 17655 5PNT VAL 11 E -10.653 11.633 -15.047 -5.179 6 - - - - - - 17656 5PNT CYS 12 E -10.462 10.746 -15.584 -5.326 6 - - - - - - 17657 5PNT LEU 13 T -10.209 10.406 -15.595 -5.384 6 440 927 1644 3487 Gatekeeper Selective 17658 5PNT GLY 14 T -10.21 10.377 -15.617 -5.392 6 369 1127 1658 3881 Gatekeeper Selective 17659 5PNT ASN 15 T -10.282 9.954 -15.808 -5.429 6 332 1251 1667 4333 Gatekeeper Selective 17660 5PNT ILE 16 T -10.517 10.233 -15.695 -5.452 6 286 1307 1665 4773 Gatekeeper Selective 17661 5PNT CYS 17 T -10.771 10.499 -15.385 -5.415 6 275 1416 1628 5135 Gatekeeper Selective 17662 5PNT ARG 18 H -12.925 13.638 -17.899 -5.821 8 275 1498 1615 5527 Gatekeeper Selective 17663 5PNT SER 19 H -13.076 13.867 -17.417 -5.288 8 329 1574 1588 5779 Gatekeeper Selective 17664 5PNT PRO 20 H -12.71 13.755 -16.272 -4.797 8 365 1588 1574 5921 Gatekeeper Selective 17665 5PNT ILE 21 H -12.081 13.853 -14.836 -4.551 7 342 1408 1543 5871 Gatekeeper Selective 17666 5PNT ALA 22 H -12.034 14.085 -14.753 -4.543 7 355 1263 1539 5825 Gatekeeper Selective 17667 5PNT GLU 23 H -12.045 14.106 -14.696 -4.526 7 363 1108 1555 5752 Gatekeeper Selective 17668 5PNT ALA 24 H -12.075 14.25 -14.537 -4.49 7 377 1064 1612 5688 Gatekeeper Selective 17669 5PNT VAL 25 H -12.158 14.604 -14.402 -4.55 7 392 977 1658 5561 Gatekeeper Selective 17670 5PNT PHE 26 H -12.985 17.243 -15.106 -4.933 8 407 918 1682 5430 Gatekeeper Selective 17671 5PNT ARG 27 H -12.686 15.262 -16.124 -5.285 8 398 717 1702 5165 Gatekeeper Selective 17672 5PNT LYS 28 H -9.201 12.04 -11.834 -4.84 7 453 589 1710 4797 Inactive Selective 17673 5PNT LEU 29 H -8.731 11.965 -11.875 -4.91 5 489 522 1726 4425 Inactive Selective 17674 5PNT VAL 30 H -6.556 8.379 -10.23 -4.748 3 485 395 1767 4236 Inactive Selective 17675 5PNT THR 31 H -5.571 6.255 -10.267 -4.674 3 518 294 1806 4017 Permissive Selective 17676 5PNT ASP 32 H -5.562 6.265 -10.303 -4.674 3 513 188 1849 3794 Permissive Selective 17677 5PNT GLN 33 H -5.462 6.245 -10.367 -4.62 3 505 112 1870 3558 Permissive Selective 17678 5PNT ASN 34 C -5.389 6.245 -10.438 -4.605 3 537 107 1914 3432 Permissive Selective 17679 5PNT ILE 35 C -5.472 5.966 -10.478 -4.585 3 541 96 1928 3283 Permissive Selective 17680 5PNT SER 36 G -6.156 6.421 -10.917 -4.429 3 634 160 1945 3118 Permissive Selective 17681 5PNT GLU 37 G -6.181 6.401 -10.842 -4.419 3 655 183 1944 2946 Permissive Selective 17682 5PNT ASN 38 G -6.63 6.627 -10.975 -4.514 3 670 193 1938 2788 Permissive Selective 17683 5PNT TRP 39 E -8.478 12.929 -10.677 -4.975 7 701 178 1929 2635 Permissive Selective 17684 5PNT ARG 40 E -10.615 13.761 -14.376 -5.417 8 685 188 1911 2510 Permissive Selective 17685 5PNT VAL 41 E -10.404 12.33 -13.942 -4.861 7 615 246 1877 2365 Permissive Selective 17686 5PNT ASP 42 E -10.461 11.474 -14.185 -4.71 7 568 481 1825 2210 Permissive Selective 17687 5PNT SER 43 E -10.352 11.437 -14.309 -4.73 7 646 1288 1737 1935 Selective Permissive 17688 5PNT ALA 44 E -9.383 10.426 -13.117 -4.651 5 652 2189 1623 1631 Selective Permissive 17689 5PNT ALA 45 E -7.935 9.953 -11.49 -4.865 5 592 2767 1513 1386 Selective Permissive 17690 5PNT THR 46 C -7.31 10.02 -11.468 -5.26 3 550 3258 1400 1199 Selective Inactive 17691 5PNT SER 47 C -6.346 8.716 -10.342 -4.895 3 512 3839 1274 989 Selective Inactive 17692 5PNT GLY 48 T -4.66 7.838 -8.407 -4.95 2 486 4502 1159 787 Gatekeeper Inactive 17693 5PNT TYR 49 T -4.587 8.041 -8.434 -4.933 2 407 5096 1056 646 Gatekeeper Inactive 17694 5PNT GLU 50 T -4.569 8.028 -8.473 -4.912 2 440 5973 971 584 Gatekeeper Inactive 17695 5PNT ILE 51 T -4.551 8.004 -8.48 -4.868 2 526 6949 916 569 Selective Inactive 17696 5PNT GLY 52 T -4.574 7.988 -8.417 -4.87 2 651 7904 903 563 Selective Inactive 17697 5PNT ASN 53 b -5.574 8.883 -8.987 -4.501 2 742 8513 884 582 Selective Inactive 17698 5PNT PRO 54 C -6.139 7.758 -9.534 -4.022 2 877 8933 891 628 Selective Inactive 17699 5PNT PRO 55 C -6.515 7.704 -9.225 -3.773 2 886 8904 924 691 Selective Inactive 17700 5PNT ASP 56 C -9.136 7.091 -14.238 -4.513 5 814 8171 988 767 Selective Inactive 17701 5PNT TYR 57 H -10.174 8.328 -15.244 -4.767 6 829 7594 1076 874 Selective Inactive 17702 5PNT ARG 58 H -11.499 9.962 -16.528 -4.935 6 856 7219 1141 968 Selective Inactive 17703 5PNT GLY 59 H -11.839 10.305 -16.824 -5.223 6 874 6922 1196 1065 Selective Inactive 17704 5PNT GLN 60 H -13.094 9.611 -20.822 -6.18 8 886 6450 1240 1161 Selective Inactive 17705 5PNT SER 61 H -12.861 9.121 -20.285 -5.885 8 880 5825 1261 1204 Selective Inactive 17706 5PNT CYS 62 H -12.495 9.272 -19.524 -5.782 8 855 5208 1237 1177 Selective Inactive 17707 5PNT MET 63 H -10.323 7.929 -16.238 -5.467 6 786 4305 1185 1095 Selective Inactive 17708 5PNT LYS 64 H -8.253 7.995 -12.823 -4.919 5 668 3309 1109 988 Selective Inactive 17709 5PNT ARG 65 H -7.934 7.913 -12.72 -4.752 5 488 2325 1027 894 Gatekeeper Inactive 17710 5PNT HIS 66 H -7.538 9.425 -11.89 -4.928 5 399 1703 949 813 Gatekeeper Inactive 17711 5PNT GLY 67 C -6.394 9.57 -9.402 -4.512 4 268 1223 868 743 Gatekeeper Inactive 17712 5PNT ILE 68 C -6.388 9.598 -9.415 -4.512 4 250 1008 779 660 Gatekeeper Inactive 17713 5PNT PRO 69 C -6.362 9.619 -9.392 -4.474 4 217 933 686 573 Gatekeeper Inactive 17714 5PNT MET 70 C -6.375 9.682 -9.318 -4.472 4 132 609 601 466 Gatekeeper Inactive 17715 5PNT SER 71 C -6.417 9.584 -9.193 -4.424 4 99 405 535 384 Inactive Inactive 17716 5PNT HIS 72 C -7.717 9.497 -10.89 -4.287 4 68 206 485 293 Inactive Inactive 17717 5PNT VAL 73 C -7.782 9.219 -10.842 -4.248 4 71 95 460 211 Inactive Inactive 17718 5PNT ALA 74 b -9.181 10.595 -11.845 -4.339 5 73 55 474 204 Inactive Inactive 17719 5PNT ARG 75 C -11.669 9.883 -16.648 -4.694 6 78 16 526 291 Inactive Inactive 17720 5PNT GLN 76 B -7.808 9.546 -11.146 -4.762 5 95 17 581 427 Inactive Inactive 17721 5PNT ILE 77 C -7.232 9.5 -10.879 -4.73 5 148 29 673 665 Inactive Inactive 17722 5PNT THR 78 C -7.209 9.598 -10.916 -4.741 5 214 53 767 1030 Inactive Inactive 17723 5PNT LYS 79 H -7.207 9.613 -10.925 -4.742 5 296 95 875 1556 Inactive Inactive 17724 5PNT GLU 80 H -7.205 9.619 -10.931 -4.743 5 360 165 997 2286 Inactive Gatekeeper 17725 5PNT ASP 81 H -7.471 9.661 -10.813 -4.733 4 458 248 1124 3162 Inactive Gatekeeper 17726 5PNT PHE 82 H -9.042 12.158 -12.078 -5.016 7 667 379 1257 4105 Permissive Gatekeeper 17727 5PNT ALA 83 H -10.147 12.755 -13.371 -5.058 7 901 463 1406 5020 Permissive Gatekeeper 17728 5PNT THR 84 H -10.721 12.272 -13.967 -5.127 7 1030 529 1552 5920 Permissive Selective 17729 5PNT PHE 85 T -13.578 17.623 -16.198 -5.789 8 1237 649 1680 6833 Selective Selective 17730 5PNT ASP 86 T -14.353 18.096 -17.704 -6.058 8 1351 668 1807 7636 Selective Selective 17731 5PNT TYR 87 E -14.553 18.886 -16.98 -5.641 8 1552 699 1928 8297 Selective Selective 17732 5PNT ILE 88 E -13.559 16.529 -16.329 -5.569 8 1620 703 2019 8882 Selective Selective 17733 5PNT LEU 89 E -13.169 15.691 -16.919 -5.84 8 1706 705 2106 9335 Selective Selective 17734 5PNT CYS 90 E -12.808 13.39 -18.022 -5.967 8 1827 720 2163 9576 Selective Selective 17735 5PNT MET 91 C -12.635 12.661 -18.465 -6.06 8 1868 694 2179 9572 Selective Selective 17736 5PNT ASP 92 C -12.208 10.818 -18.613 -5.899 8 1955 688 2170 9266 Selective Selective 17737 5PNT GLU 93 H -11.503 8.737 -17.423 -5.088 6 2067 658 2138 8677 Selective Selective 17738 5PNT SER 94 H -11.47 8.459 -17.558 -5.047 6 2012 587 2087 7911 Permissive Selective 17739 5PNT ASN 95 H -11.492 8.385 -17.488 -4.999 6 1817 459 2017 7066 Permissive Selective 17740 5PNT LEU 96 H -11.409 8.606 -17.327 -4.936 6 1596 385 1910 6216 Permissive Selective 17741 5PNT ARG 97 H -11.435 8.53 -17.206 -4.814 6 1513 337 1792 5359 Permissive Selective 17742 5PNT ASP 98 H -11.967 9.41 -17.938 -5.003 6 1340 235 1680 4478 Permissive Selective 17743 5PNT LEU 99 H -12.06 10.134 -17.849 -5.205 6 1230 223 1559 3698 Permissive Selective 17744 5PNT ASN 100 H -11.68 9.915 -19.159 -6.304 8 1081 214 1410 3018 Permissive Gatekeeper 17745 5PNT ARG 101 H -11.4 8.387 -19.323 -6.184 6 1032 206 1259 2337 Permissive Gatekeeper 17746 5PNT LYS 102 H -10.449 8.986 -16.703 -5.755 6 932 202 1151 1747 Permissive Inactive 17747 5PNT SER 103 H -6.827 5.605 -11.608 -4.498 3 765 175 1071 1282 Permissive Inactive 17748 5PNT ASN 104 H -4.663 5.084 -8.594 -4.048 2 672 174 1059 943 Permissive Inactive 17749 5PNT GLN 105 C -4.437 5.522 -8.565 -4.078 2 499 136 1063 759 Inactive Inactive 17750 5PNT VAL 106 T -4.147 5.765 -8.293 -4.019 2 319 92 1063 718 Inactive Inactive 17751 5PNT LYS 107 T -4.042 5.801 -8.322 -4.005 2 275 80 1082 734 Inactive Inactive 17752 5PNT THR 108 T -4.046 5.806 -8.296 -4.001 2 259 77 1126 769 Inactive Inactive 17753 5PNT CYS 109 T -4.295 6.197 -8.182 -3.982 2 243 81 1180 856 Inactive Inactive 17754 5PNT LYS 110 C -4.465 6.108 -8.075 -3.928 2 195 63 1235 956 Inactive Inactive 17755 5PNT ALA 111 C -5.109 6.033 -8.503 -3.936 2 160 47 1284 1072 Inactive Inactive 17756 5PNT LYS 112 E -7.57 9.734 -11.371 -4.757 5 133 46 1330 1197 Inactive Inactive 17757 5PNT ILE 113 E -7.884 10.704 -10.968 -4.84 4 74 31 1381 1350 Inactive Inactive 17758 5PNT GLU 114 E -9.473 12.8 -12.814 -5.068 7 45 32 1459 1531 Inactive Permissive 17759 5PNT LEU 115 E -9.725 13.957 -12.229 -5.06 7 58 55 1505 1668 Inactive Permissive 17760 5PNT LEU 116 G -10.649 16.197 -12.835 -5.346 7 52 58 1524 1777 Inactive Permissive 17761 5PNT GLY 117 G -10.975 15.887 -13.282 -5.386 7 43 62 1501 1835 Inactive Permissive 17762 5PNT SER 118 G -11.718 13.749 -15.701 -5.386 8 48 75 1449 1868 Inactive Permissive 17763 5PNT TYR 119 G -10.676 10.467 -15.324 -5.309 6 43 83 1412 1818 Inactive Inactive 17764 5PNT ASP 120 T -9.63 5.986 -16.484 -5.344 6 47 123 1380 1739 Inactive Inactive 17765 5PNT PRO 121 T -8.754 6.715 -14.554 -4.927 6 46 152 1339 1665 Inactive Inactive 17766 5PNT GLN 122 T -8.572 7.195 -14.388 -4.941 6 48 156 1313 1573 Inactive Inactive 17767 5PNT LYS 123 T -8.551 7.334 -14.362 -4.933 6 51 171 1294 1471 Inactive Inactive 17768 5PNT GLN 124 C -8.536 7.479 -14.294 -4.923 6 56 218 1281 1372 Inactive Inactive 17769 5PNT LEU 125 C -7.97 10.36 -11.477 -4.632 5 100 341 1250 1267 Inactive Inactive 17770 5PNT ILE 126 C -7.519 11.67 -9.902 -4.447 4 110 404 1235 1148 Inactive Inactive 17771 5PNT ILE 127 C -7.529 11.871 -9.767 -4.438 4 113 437 1222 1063 Inactive Inactive 17772 5PNT GLU 128 C -7.064 11.038 -10.012 -4.627 4 109 432 1226 1082 Inactive Inactive 17773 5PNT ASP 129 C -6.604 10.283 -10.118 -4.797 4 115 451 1233 1213 Inactive Inactive 17774 5PNT PRO 130 T -6.566 10.037 -10.301 -4.831 3 133 554 1274 1514 Inactive Inactive 17775 5PNT TYR 131 T -6.611 9.577 -10.656 -4.929 3 219 617 1351 1967 Gatekeeper Gatekeeper 17776 5PNT TYR 132 T -6.332 7.686 -11.362 -4.859 3 299 647 1430 2557 Gatekeeper Gatekeeper 17777 5PNT GLY 133 T -6.219 6.208 -11.987 -4.843 3 620 900 1528 3259 Selective Selective 17778 5PNT ASN 134 C -6.413 4.884 -12.686 -4.804 3 748 924 1615 4040 Selective Selective 17779 5PNT ASP 135 H -6.472 4.449 -12.796 -4.79 3 830 931 1673 4929 Selective Selective 17780 5PNT SER 136 H -6.5 4.355 -12.727 -4.76 3 936 1011 1739 5909 Selective Selective 17781 5PNT ASP 137 H -6.915 4.071 -12.929 -4.774 3 1167 1386 1812 6996 Selective Selective 17782 5PNT PHE 138 H -9.435 10.315 -13.064 -4.885 5 1589 1821 1913 8182 Selective Selective 17783 5PNT GLU 139 H -11.718 11.745 -16.127 -5.136 8 1855 2106 2000 9537 Selective Selective 17784 5PNT THR 140 H -11.775 11.858 -15.919 -5.112 8 2190 2516 2057 10745 Selective Selective 17785 5PNT VAL 141 H -12.758 14.037 -16.126 -5.269 8 2690 3039 2076 11661 Selective Selective 17786 5PNT TYR 142 H -14.149 13.594 -18.711 -5.545 8 3234 3597 2101 12302 Selective Selective 17787 5PNT GLN 143 H -14.187 13.229 -18.801 -5.538 8 3544 3951 2091 12652 Selective Selective 17788 5PNT GLN 144 H -15.384 14.021 -21.243 -6.181 8 3662 4112 2051 12721 Selective Selective 17789 5PNT CYS 145 H -15.379 12.046 -22.246 -6.16 8 - - - - - - 17790 5PNT VAL 146 H -14.906 11.008 -21.447 -5.646 8 - - - - - - 17791 5PNT ARG 147 H -14.87 10.761 -21.396 -5.518 8 - - - - - - 17792 5PNT CYS 148 H -13.765 14.805 -17.197 -5.263 8 - - - - - - 17793 5PNT CYS 149 H -13.133 17.936 -15.907 -5.798 8 - - - - - - 17794 5PNT ARG 150 H -11.921 19.319 -13.98 -6.529 8 - - - - - - 17795 5PNT ALA 151 H -10.13 17.46 -11.501 -5.828 7 - - - - - - 17796 5PNT PHE 152 H -8.805 15.853 -9.964 -5.228 7 - - - - - - 17797 5PNT LEU 153 H -6.435 9.744 -8.494 -4.118 4 - - - - - - 17798 5PNT GLU 154 H -4.932 6.24 -7.467 -3.28 2 - - - - - - 17799 5PNT LYS 155 H -4.932 6.24 -7.467 -3.28 2 - - - - - - 17800 5PNT ALA 156 C -4.932 6.24 -7.467 -3.28 2 - - - - - - 17801 5PNT HIS 157 C -4.932 6.24 -7.467 -3.28 2 - - - - - -