REMARK PDB file contains the clusters of water molecules around unpaired REMARK RNA uracil base and the most populated nucleotide conformations. REMARK The centers of mass of the water clusters are indicated REMARK by 'OC' atom type. Different water clusters REMARK and nucleotide conformations are considered as different chains. REMARK REMARK B-factors were normalized to zero mean and unit variance REMARK with the equation: B_n = fabs(B-B_a/B_s), REMARK where B is B-factor of the RNA or water atom, REMARK B_a is the average B-factor and B_s is the standard deviation REMARK computed over all the atoms. REMARK REMARK There are 4 clusters of water molecules REMARK Cluster W1 has 17 water molecules (chain A) REMARK Cluster W2 has 14 water molecules (chain B) REMARK Cluster W3 has 14 water molecules (chain C) REMARK Cluster W4 has 12 water molecules (chain D) REMARK 5 nucleotide conformations are reported REMARK Conformation C3'-endo_anti_-g_t_g_g_t_-g (chain E) REMARK Conformation C2'-endo_anti_g_t_g_t_-g_-g (chain F) REMARK Conformation C3'-endo_anti_t_t_t_g_t_-g (chain G) REMARK Conformation C2'-endo_anti_-g_t_g_t_-g_g (chain H) REMARK Conformation C3'-endo_anti_t_t_g_g_t_-g (chain I) REMARK CLUSTER W1 HETATM 1 O HOH A 1 4.639 3.149 -0.690 1.00 1.64 HETATM 2 O HOH A 2 4.506 2.615 -0.542 1.00 0.86 HETATM 3 O HOH A 3 4.554 2.551 -0.327 1.00 0.42 HETATM 4 O HOH A 4 4.683 2.196 0.148 1.00 0.89 HETATM 5 O HOH A 5 4.530 2.600 -0.419 1.00 0.67 HETATM 6 O HOH A 6 4.281 3.023 -0.952 1.00 0.75 HETATM 7 O HOH A 7 4.633 2.176 0.230 1.00 0.31 HETATM 8 O HOH A 8 4.508 2.475 0.179 1.00 0.81 HETATM 9 O HOH A 9 3.964 2.142 -0.395 1.00 1.29 HETATM 10 O HOH A 10 4.508 3.106 0.065 1.00 0.31 HETATM 11 O HOH A 11 4.294 2.184 -0.436 1.00 1.88 HETATM 12 O HOH A 12 4.460 2.716 0.127 1.00 1.11 HETATM 13 O HOH A 13 4.414 2.563 -0.845 1.00 1.19 HETATM 14 O HOH A 14 4.510 2.734 0.544 1.00 0.24 HETATM 15 O HOH A 15 4.466 3.106 0.503 1.00 0.12 HETATM 16 O HOH A 16 4.159 3.014 -1.299 1.00 0.07 HETATM 17 O HOH A 17 4.823 2.995 -1.123 1.00 1.42 HETATM 99 OC HOH A 99 4.467 2.667 -0.308 1.00 REMARK CLUSTER W2 HETATM 1 O HOH B 1 0.928 6.134 3.369 1.00 1.18 HETATM 2 O HOH B 2 0.607 5.217 3.243 1.00 1.36 HETATM 3 O HOH B 3 1.010 6.336 3.436 1.00 0.81 HETATM 4 O HOH B 4 0.067 5.044 3.344 1.00 2.91 HETATM 5 O HOH B 5 0.706 5.302 3.697 1.00 0.18 HETATM 6 O HOH B 6 1.429 4.921 3.315 1.00 0.27 HETATM 7 O HOH B 7 1.254 5.472 3.647 1.00 0.30 HETATM 8 O HOH B 8 0.564 5.280 3.708 1.00 0.25 HETATM 9 O HOH B 9 1.285 4.873 3.399 1.00 0.49 HETATM 10 O HOH B 10 1.279 5.487 3.565 1.00 0.16 HETATM 11 O HOH B 11 0.197 5.780 3.301 1.00 0.67 HETATM 12 O HOH B 12 0.388 5.541 3.564 1.00 1.43 HETATM 13 O HOH B 13 0.717 4.847 3.693 1.00 0.44 HETATM 14 O HOH B 14 -0.229 5.059 3.480 1.00 2.27 HETATM 99 OC HOH B 99 0.729 5.378 3.483 1.00 REMARK CLUSTER W3 HETATM 1 O HOH C 1 -5.488 2.950 1.855 1.00 2.18 HETATM 2 O HOH C 2 -5.687 2.985 1.054 1.00 0.62 HETATM 3 O HOH C 3 -5.913 3.194 2.211 1.00 2.94 HETATM 4 O HOH C 4 -5.064 2.994 1.144 1.00 1.21 HETATM 5 O HOH C 5 -5.141 3.448 1.403 1.00 2.79 HETATM 6 O HOH C 6 -5.293 3.249 2.461 1.00 0.45 HETATM 7 O HOH C 7 -5.610 3.021 0.931 1.00 0.52 HETATM 8 O HOH C 8 -6.010 3.190 1.336 1.00 0.02 HETATM 9 O HOH C 9 -5.419 3.179 2.409 1.00 0.38 HETATM 10 O HOH C 10 -5.574 3.685 2.303 1.00 0.30 HETATM 11 O HOH C 11 -5.657 2.916 1.675 1.00 0.71 HETATM 12 O HOH C 12 -5.583 3.297 1.814 1.00 0.60 HETATM 13 O HOH C 13 -5.379 3.708 2.568 1.00 0.32 HETATM 14 O HOH C 14 -5.307 3.961 2.389 1.00 0.39 HETATM 99 OC HOH C 99 -5.509 3.270 1.825 1.00 REMARK CLUSTER W4 HETATM 1 O HOH D 1 -1.165 -0.179 -0.731 1.00 0.05 HETATM 2 O HOH D 2 -0.339 0.142 -0.885 1.00 1.41 HETATM 3 O HOH D 3 -1.055 -0.024 -1.088 1.00 0.09 HETATM 4 O HOH D 4 -0.754 -0.574 0.062 1.00 1.31 HETATM 5 O HOH D 5 -0.933 -0.467 0.105 1.00 0.28 HETATM 6 O HOH D 6 -0.399 -0.330 0.021 1.00 0.76 HETATM 7 O HOH D 7 -1.375 0.102 -0.116 1.00 0.18 HETATM 8 O HOH D 8 -1.054 -0.098 0.316 1.00 0.03 HETATM 9 O HOH D 9 -0.322 -0.264 -1.031 1.00 3.54 HETATM 10 O HOH D 10 -0.991 -0.155 -0.441 1.00 3.64 HETATM 11 O HOH D 11 -0.565 -0.436 -0.476 1.00 2.72 HETATM 12 O HOH D 12 -1.175 -0.556 -0.444 1.00 2.91 HETATM 99 OC HOH D 99 -0.844 -0.237 -0.392 1.00 REMARK nucleiotide conformation: C3'-endo_anti_-g_t_g_g_t_-g ATOM 1 P U E 1 1.217 9.164 0.264 ATOM 2 PO1 U E 1 1.099 10.350 1.152 ATOM 3 PO2 U E 1 2.467 8.363 0.377 ATOM 4 O5' U E 1 -0.015 8.186 0.620 ATOM 5 C5' U E 1 -1.367 8.619 0.523 ATOM 6 C4' U E 1 -2.347 7.491 0.651 ATOM 7 O4' U E 1 -2.184 6.546 -0.439 ATOM 8 C3' U E 1 -2.188 6.602 1.900 ATOM 9 O3' U E 1 -2.727 7.310 3.013 ATOM 10 C2' U E 1 -3.010 5.395 1.468 ATOM 11 O2' U E 1 -4.408 5.593 1.482 ATOM 12 C1' U E 1 -2.509 5.258 0.018 ATOM 13 N1 U E 1 -1.262 4.476 -0.003 ATOM 14 C2 U E 1 -1.463 3.103 0.006 ATOM 15 O2 U E 1 -2.584 2.627 -0.009 ATOM 16 N3 U E 1 -0.300 2.390 0.010 ATOM 17 C4 U E 1 0.985 2.912 -0.003 ATOM 18 O4 U E 1 1.910 2.104 -0.006 ATOM 19 C5 U E 1 1.117 4.336 -0.002 ATOM 20 C6 U E 1 -0.022 5.059 0.001 REMARK nucleiotide conformation: C2'-endo_anti_g_t_g_t_-g_-g ATOM 1 P U F 1 0.071 9.755 -0.893 ATOM 2 PO1 U F 1 1.353 9.383 -0.273 ATOM 3 PO2 U F 1 0.094 10.514 -2.168 ATOM 4 O5' U F 1 -0.773 8.417 -1.068 ATOM 5 C5' U F 1 -2.015 8.426 -1.783 ATOM 6 C4' U F 1 -2.964 7.394 -1.201 ATOM 7 O4' U F 1 -2.393 6.057 -1.276 ATOM 8 C3' U F 1 -3.314 7.618 0.265 ATOM 9 O3' U F 1 -4.686 7.362 0.415 ATOM 10 C2' U F 1 -2.474 6.591 0.999 ATOM 11 O2' U F 1 -3.101 6.227 2.205 ATOM 12 C1' U F 1 -2.469 5.429 -0.022 ATOM 13 N1 U F 1 -1.293 4.508 0.015 ATOM 14 C2 U F 1 -1.479 3.133 0.005 ATOM 15 O2 U F 1 -2.568 2.589 -0.016 ATOM 16 N3 U F 1 -0.318 2.401 0.004 ATOM 17 C4 U F 1 0.990 2.885 -0.002 ATOM 18 O4 U F 1 1.934 2.097 0.000 ATOM 19 C5 U F 1 1.107 4.316 -0.011 ATOM 20 C6 U F 1 -0.015 5.058 -0.007 REMARK nucleiotide conformation: C3'-endo_anti_t_t_t_g_t_-g ATOM 1 P U G 1 -2.558 11.043 -0.683 ATOM 2 PO1 U G 1 -3.958 11.054 -0.192 ATOM 3 PO2 U G 1 -1.511 11.796 0.022 ATOM 4 O5' U G 1 -2.076 9.520 -0.744 ATOM 5 C5' U G 1 -1.897 8.855 0.499 ATOM 6 C4' U G 1 -2.730 7.595 0.514 ATOM 7 O4' U G 1 -2.182 6.648 -0.426 ATOM 8 C3' U G 1 -2.724 6.841 1.827 ATOM 9 O3' U G 1 -3.675 7.416 2.708 ATOM 10 C2' U G 1 -3.161 5.454 1.379 ATOM 11 O2' U G 1 -4.558 5.342 1.243 ATOM 12 C1' U G 1 -2.521 5.342 -0.005 ATOM 13 N1 U G 1 -1.288 4.494 -0.006 ATOM 14 C2 U G 1 -1.468 3.127 0.002 ATOM 15 O2 U G 1 -2.581 2.626 0.005 ATOM 16 N3 U G 1 -0.300 2.383 0.007 ATOM 17 C4 U G 1 1.001 2.874 -0.002 ATOM 18 O4 U G 1 1.954 2.094 -0.001 ATOM 19 C5 U G 1 1.093 4.319 0.008 ATOM 20 C6 U G 1 -0.030 5.058 0.005 REMARK nucleiotide conformation: C2'-endo_anti_-g_t_g_t_-g_g ATOM 1 P U H 1 -0.421 9.823 0.952 ATOM 2 PO1 U H 1 -1.604 10.384 1.681 ATOM 3 PO2 U H 1 0.731 9.209 1.657 ATOM 4 O5' U H 1 -0.948 8.631 -0.041 ATOM 5 C5' U H 1 -2.194 8.820 -0.745 ATOM 6 C4' U H 1 -3.033 7.573 -0.514 ATOM 7 O4' U H 1 -2.278 6.411 -0.939 ATOM 8 C3' U H 1 -3.409 7.289 0.940 ATOM 9 O3' U H 1 -4.740 6.810 0.999 ATOM 10 C2' U H 1 -2.513 6.132 1.367 ATOM 11 O2' U H 1 -3.053 5.342 2.410 ATOM 12 C1' U H 1 -2.449 5.382 0.026 ATOM 13 N1 U H 1 -1.279 4.505 0.002 ATOM 14 C2 U H 1 -1.447 3.135 0.003 ATOM 15 O2 U H 1 -2.541 2.609 0.001 ATOM 16 N3 U H 1 -0.298 2.370 -0.003 ATOM 17 C4 U H 1 0.987 2.887 0.005 ATOM 18 O4 U H 1 1.918 2.075 -0.001 ATOM 19 C5 U H 1 1.062 4.323 0.002 ATOM 20 C6 U H 1 -0.025 5.095 -0.002 REMARK nucleiotide conformation: C3'-endo_anti_t_t_g_g_t_-g ATOM 1 P U I 1 0.520 9.060 1.220 ATOM 2 PO1 U I 1 -0.037 10.396 1.557 ATOM 3 PO2 U I 1 1.013 8.196 2.284 ATOM 4 O5' U I 1 -0.629 8.250 0.499 ATOM 5 C5' U I 1 -1.977 8.673 0.555 ATOM 6 C4' U I 1 -2.859 7.456 0.458 ATOM 7 O4' U I 1 -2.350 6.554 -0.589 ATOM 8 C3' U I 1 -2.714 6.597 1.703 ATOM 9 O3' U I 1 -3.576 7.144 2.641 ATOM 10 C2' U I 1 -3.208 5.251 1.197 ATOM 11 O2' U I 1 -4.602 5.168 1.015 ATOM 12 C1' U I 1 -2.558 5.225 -0.184 ATOM 13 N1 U I 1 -1.287 4.504 -0.051 ATOM 14 C2 U I 1 -1.446 3.124 0.002 ATOM 15 O2 U I 1 -2.515 2.626 -0.010 ATOM 16 N3 U I 1 -0.309 2.387 0.038 ATOM 17 C4 U I 1 0.992 2.878 0.033 ATOM 18 O4 U I 1 1.933 2.073 -0.071 ATOM 19 C5 U I 1 1.087 4.322 0.032 ATOM 20 C6 U I 1 -0.044 5.072 -0.010 END