REMARK PDB file contains the clusters of water molecules around unpaired REMARK RNA guanine 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 7 clusters of water molecules REMARK Cluster W1 has 26 water molecules (chain A) REMARK Cluster W2 has 17 water molecules (chain B) REMARK Cluster W3 has 17 water molecules (chain C) REMARK Cluster W4 has 23 water molecules (chain D) REMARK Cluster W5 has 5 water molecules (chain E) REMARK Cluster W6 has 20 water molecules (chain F) REMARK Cluster W7 has 44 water molecules (chain G) REMARK 4 nucleotide conformations are reported REMARK Conformation C3'-endo_anti_-g_t_g_g_t_-g (chain H) REMARK Conformation C2'-endo_anti_-g_t_g_t_-g_g (chain I) REMARK Conformation C2'-endo_anti_-g_t_g_t_-g_t (chain J) REMARK Conformation C3'-endo_anti_-g_t_g_g_-g_-g (chain K) REMARK CLUSTER W1 HETATM 1 O HOH A 1 3.140 -5.314 -0.589 1.00 0.54 HETATM 2 O HOH A 2 3.053 -5.256 -0.872 1.00 0.18 HETATM 3 O HOH A 3 3.606 -4.752 -0.233 1.00 0.63 HETATM 4 O HOH A 4 3.289 -4.193 -1.228 1.00 0.61 HETATM 5 O HOH A 5 3.355 -5.104 -0.425 1.00 0.98 HETATM 6 O HOH A 6 3.122 -4.157 -0.782 1.00 2.91 HETATM 7 O HOH A 7 3.318 -4.847 -0.955 1.00 0.52 HETATM 8 O HOH A 8 3.388 -5.269 -0.167 1.00 0.11 HETATM 9 O HOH A 9 3.323 -5.048 -0.439 1.00 1.41 HETATM 10 O HOH A 10 3.528 -4.159 -0.558 1.00 2.28 HETATM 11 O HOH A 11 3.505 -4.588 -0.525 1.00 0.89 HETATM 12 O HOH A 12 3.524 -3.989 -0.972 1.00 1.60 HETATM 13 O HOH A 13 3.211 -4.630 -0.177 1.00 1.69 HETATM 14 O HOH A 14 3.371 -4.105 -0.682 1.00 2.82 HETATM 15 O HOH A 15 3.434 -4.140 -1.063 1.00 2.69 HETATM 16 O HOH A 16 3.447 -4.439 -0.776 1.00 1.23 HETATM 17 O HOH A 17 3.581 -4.599 -0.066 1.00 0.65 HETATM 18 O HOH A 18 3.431 -4.123 -0.226 1.00 1.59 HETATM 19 O HOH A 19 3.183 -3.891 -0.384 1.00 2.52 HETATM 20 O HOH A 20 3.589 -4.100 -0.296 1.00 2.66 HETATM 21 O HOH A 21 3.807 -4.904 -0.036 1.00 0.28 HETATM 22 O HOH A 22 3.346 -5.575 0.165 1.00 0.39 HETATM 23 O HOH A 23 3.626 -4.007 -0.264 1.00 0.28 HETATM 24 O HOH A 24 3.638 -3.842 -0.872 1.00 0.89 HETATM 25 O HOH A 25 3.501 -3.458 -0.796 1.00 0.68 HETATM 26 O HOH A 26 3.922 -3.651 -0.745 1.00 3.06 HETATM 99 OC HOH A 99 3.432 -4.467 -0.537 1.00 REMARK CLUSTER W2 HETATM 1 O HOH B 1 4.039 -2.542 0.860 1.00 2.57 HETATM 2 O HOH B 2 3.969 -1.952 -0.311 1.00 0.52 HETATM 3 O HOH B 3 4.045 -2.715 0.130 1.00 1.42 HETATM 4 O HOH B 4 4.027 -1.578 0.490 1.00 0.35 HETATM 5 O HOH B 5 3.952 -1.907 1.345 1.00 2.50 HETATM 6 O HOH B 6 3.562 -2.608 0.696 1.00 1.43 HETATM 7 O HOH B 7 3.948 -1.142 0.978 1.00 0.74 HETATM 8 O HOH B 8 4.118 -1.894 -0.427 1.00 1.19 HETATM 9 O HOH B 9 3.920 -2.279 -0.094 1.00 1.03 HETATM 10 O HOH B 10 3.536 -2.639 0.786 1.00 1.49 HETATM 11 O HOH B 11 3.741 -1.930 0.442 1.00 1.62 HETATM 12 O HOH B 12 4.246 -1.270 0.018 1.00 0.79 HETATM 13 O HOH B 13 4.121 -1.671 0.019 1.00 1.53 HETATM 14 O HOH B 14 3.883 -2.028 0.057 1.00 1.16 HETATM 15 O HOH B 15 3.801 -2.628 -0.012 1.00 2.04 HETATM 16 O HOH B 16 4.398 -1.813 1.191 1.00 2.75 HETATM 17 O HOH B 17 4.144 -2.262 -0.494 1.00 0.42 HETATM 99 OC HOH B 99 3.968 -2.050 0.334 1.00 REMARK CLUSTER W3 HETATM 1 O HOH C 1 -4.911 -3.264 0.564 1.00 0.43 HETATM 2 O HOH C 2 -5.409 -3.353 0.378 1.00 0.10 HETATM 3 O HOH C 3 -4.889 -3.492 0.623 1.00 0.13 HETATM 4 O HOH C 4 -5.378 -2.882 -0.011 1.00 2.04 HETATM 5 O HOH C 5 -5.127 -2.953 -0.145 1.00 1.08 HETATM 6 O HOH C 6 -5.287 -2.905 -0.664 1.00 0.74 HETATM 7 O HOH C 7 -5.368 -3.123 -0.064 1.00 2.23 HETATM 8 O HOH C 8 -4.980 -3.244 -0.814 1.00 0.43 HETATM 9 O HOH C 9 -5.688 -3.280 -0.966 1.00 2.11 HETATM 10 O HOH C 10 -6.077 -3.158 -0.235 1.00 0.16 HETATM 11 O HOH C 11 -5.456 -3.405 -0.698 1.00 2.98 HETATM 12 O HOH C 12 -5.341 -3.604 -0.528 1.00 2.84 HETATM 13 O HOH C 13 -5.071 -3.527 -0.692 1.00 2.70 HETATM 14 O HOH C 14 -5.419 -3.693 -0.255 1.00 3.22 HETATM 15 O HOH C 15 -5.725 -3.430 -0.180 1.00 3.00 HETATM 16 O HOH C 16 -4.982 -2.622 0.008 1.00 0.60 HETATM 17 O HOH C 17 -5.477 -4.059 -0.604 1.00 2.17 HETATM 99 OC HOH C 99 -5.329 -3.294 -0.252 1.00 REMARK CLUSTER W4 HETATM 1 O HOH D 1 -4.118 -3.076 2.273 1.00 2.67 HETATM 2 O HOH D 2 -4.355 -3.062 2.404 1.00 1.95 HETATM 3 O HOH D 3 -4.689 -2.764 1.604 1.00 2.28 HETATM 4 O HOH D 4 -4.515 -2.757 1.937 1.00 0.24 HETATM 5 O HOH D 5 -4.449 -2.744 2.279 1.00 1.15 HETATM 6 O HOH D 6 -4.240 -3.122 2.075 1.00 0.78 HETATM 7 O HOH D 7 -4.276 -3.275 2.053 1.00 1.13 HETATM 8 O HOH D 8 -4.140 -3.157 2.094 1.00 1.26 HETATM 9 O HOH D 9 -4.296 -3.124 2.287 1.00 1.23 HETATM 10 O HOH D 10 -4.469 -2.764 2.251 1.00 1.29 HETATM 11 O HOH D 11 -4.418 -2.802 2.198 1.00 1.52 HETATM 12 O HOH D 12 -4.346 -3.008 2.275 1.00 1.14 HETATM 13 O HOH D 13 -4.613 -2.958 1.885 1.00 2.67 HETATM 14 O HOH D 14 -4.348 -3.149 2.135 1.00 2.63 HETATM 15 O HOH D 15 -4.393 -3.103 2.142 1.00 2.38 HETATM 16 O HOH D 16 -4.203 -3.186 2.297 1.00 2.39 HETATM 17 O HOH D 17 -4.399 -3.294 2.215 1.00 1.12 HETATM 18 O HOH D 18 -4.509 -3.198 2.189 1.00 2.43 HETATM 19 O HOH D 19 -4.815 -3.275 1.758 1.00 0.25 HETATM 20 O HOH D 20 -4.610 -2.886 2.309 1.00 2.28 HETATM 21 O HOH D 21 -4.784 -2.730 2.304 1.00 1.40 HETATM 22 O HOH D 22 -4.616 -3.207 2.293 1.00 3.04 HETATM 23 O HOH D 23 -4.527 -3.189 2.277 1.00 2.63 HETATM 99 OC HOH D 99 -4.440 -3.036 2.154 1.00 REMARK CLUSTER W5 HETATM 1 O HOH E 1 -5.862 -1.085 -0.424 1.00 0.93 HETATM 2 O HOH E 2 -5.862 -1.050 -0.503 1.00 0.71 HETATM 3 O HOH E 3 -5.823 -0.994 -0.293 1.00 0.85 HETATM 4 O HOH E 4 -5.909 -0.816 -0.408 1.00 0.26 HETATM 5 O HOH E 5 -5.846 -0.878 -0.194 1.00 0.84 HETATM 99 OC HOH E 99 -5.860 -0.965 -0.364 1.00 REMARK CLUSTER W6 HETATM 1 O HOH F 1 -4.912 0.673 3.388 1.00 0.22 HETATM 2 O HOH F 2 -5.064 0.978 3.090 1.00 0.12 HETATM 3 O HOH F 3 -5.033 0.883 3.149 1.00 0.15 HETATM 4 O HOH F 4 -5.130 0.481 3.188 1.00 0.01 HETATM 5 O HOH F 5 -5.031 0.974 3.212 1.00 0.05 HETATM 6 O HOH F 6 -5.210 0.783 3.169 1.00 0.01 HETATM 7 O HOH F 7 -4.990 0.965 3.054 1.00 0.24 HETATM 8 O HOH F 8 -5.007 0.560 3.251 1.00 0.08 HETATM 9 O HOH F 9 -5.045 0.734 3.092 1.00 0.00 HETATM 10 O HOH F 10 -4.873 0.689 3.228 1.00 0.66 HETATM 11 O HOH F 11 -5.170 0.639 3.177 1.00 2.66 HETATM 12 O HOH F 12 -5.234 0.739 3.011 1.00 3.06 HETATM 13 O HOH F 13 -4.724 1.119 3.159 1.00 2.70 HETATM 14 O HOH F 14 -4.718 1.057 3.330 1.00 2.18 HETATM 15 O HOH F 15 -4.987 0.729 3.242 1.00 2.52 HETATM 16 O HOH F 16 -4.814 0.928 3.339 1.00 2.46 HETATM 17 O HOH F 17 -5.093 0.874 3.122 1.00 1.84 HETATM 18 O HOH F 18 -4.951 0.732 3.215 1.00 2.37 HETATM 19 O HOH F 19 -5.309 0.891 3.224 1.00 2.67 HETATM 20 O HOH F 20 -5.583 0.790 3.359 1.00 3.18 HETATM 99 OC HOH F 99 -5.044 0.811 3.200 1.00 REMARK CLUSTER W7 HETATM 1 O HOH G 1 4.956 1.870 -0.140 1.00 1.82 HETATM 2 O HOH G 2 5.008 1.828 0.445 1.00 1.59 HETATM 3 O HOH G 3 4.947 1.910 0.121 1.00 2.01 HETATM 4 O HOH G 4 4.959 1.864 0.691 1.00 2.49 HETATM 5 O HOH G 5 4.899 1.955 0.380 1.00 2.08 HETATM 6 O HOH G 6 4.742 1.823 -0.345 1.00 0.72 HETATM 7 O HOH G 7 4.993 1.823 0.568 1.00 1.98 HETATM 8 O HOH G 8 4.893 1.491 0.493 1.00 2.37 HETATM 9 O HOH G 9 4.862 1.770 0.037 1.00 1.75 HETATM 10 O HOH G 10 4.807 1.598 0.375 1.00 1.69 HETATM 11 O HOH G 11 4.702 2.090 0.212 1.00 1.61 HETATM 12 O HOH G 12 4.853 1.718 0.044 1.00 2.45 HETATM 13 O HOH G 13 5.048 1.585 0.283 1.00 1.86 HETATM 14 O HOH G 14 4.965 2.080 0.423 1.00 1.93 HETATM 15 O HOH G 15 4.929 1.952 0.476 1.00 2.10 HETATM 16 O HOH G 16 4.753 1.916 0.268 1.00 2.08 HETATM 17 O HOH G 17 4.856 2.098 0.549 1.00 1.89 HETATM 18 O HOH G 18 5.164 1.959 0.116 1.00 2.01 HETATM 19 O HOH G 19 4.731 1.882 -0.406 1.00 2.66 HETATM 20 O HOH G 20 5.118 1.766 -0.520 1.00 2.68 HETATM 21 O HOH G 21 4.782 1.957 -0.352 1.00 2.52 HETATM 22 O HOH G 22 4.753 1.924 -0.379 1.00 1.84 HETATM 23 O HOH G 23 4.690 2.001 -0.469 1.00 0.78 HETATM 24 O HOH G 24 5.022 1.877 -0.538 1.00 3.06 HETATM 25 O HOH G 25 4.786 2.002 -0.347 1.00 2.70 HETATM 26 O HOH G 26 4.694 1.908 -0.522 1.00 2.18 HETATM 27 O HOH G 27 4.657 1.967 -0.861 1.00 3.18 HETATM 28 O HOH G 28 4.860 2.043 -0.574 1.00 2.37 HETATM 29 O HOH G 29 4.553 2.149 0.809 1.00 2.12 HETATM 30 O HOH G 30 4.928 2.185 0.320 1.00 1.69 HETATM 31 O HOH G 31 4.724 2.185 0.081 1.00 2.25 HETATM 32 O HOH G 32 4.768 2.158 -0.293 1.00 0.22 HETATM 33 O HOH G 33 4.729 2.175 -0.297 1.00 0.00 HETATM 34 O HOH G 34 4.644 2.163 -0.290 1.00 2.46 HETATM 35 O HOH G 35 4.755 2.241 -0.334 1.00 0.01 HETATM 36 O HOH G 36 4.602 2.284 -0.399 1.00 0.66 HETATM 37 O HOH G 37 4.715 2.269 -0.403 1.00 0.12 HETATM 38 O HOH G 38 4.684 2.324 -0.237 1.00 0.15 HETATM 39 O HOH G 39 4.641 2.357 -0.294 1.00 0.01 HETATM 40 O HOH G 40 4.739 2.338 -0.355 1.00 0.08 HETATM 41 O HOH G 41 4.705 2.236 -0.459 1.00 0.07 HETATM 42 O HOH G 42 4.820 2.109 -0.726 1.00 0.24 HETATM 43 O HOH G 43 4.743 2.391 -0.501 1.00 0.05 HETATM 44 O HOH G 44 4.734 2.135 -0.956 1.00 2.67 HETATM 99 OC HOH G 99 4.816 2.008 -0.098 1.00 REMARK nucleiotide conformation: C3'-endo_anti_-g_t_g_g_t_-g ATOM 1 P G H 1 0.980 -9.323 -0.655 ATOM 2 PO1 G H 1 0.664 -10.566 -1.409 ATOM 3 PO2 G H 1 2.224 -8.581 -0.969 ATOM 4 O5' G H 1 -0.223 -8.304 -0.826 ATOM 5 C5' G H 1 -1.546 -8.745 -0.619 ATOM 6 C4' G H 1 -2.504 -7.589 -0.697 ATOM 7 O4' G H 1 -2.216 -6.661 0.385 ATOM 8 C3' G H 1 -2.385 -6.717 -1.940 ATOM 9 O3' G H 1 -3.029 -7.279 -3.067 ATOM 10 C2' G H 1 -3.043 -5.433 -1.468 ATOM 11 O2' G H 1 -4.453 -5.575 -1.416 ATOM 12 C1' G H 1 -2.506 -5.341 -0.044 ATOM 13 N9 G H 1 -1.293 -4.537 -0.005 ATOM 14 C8 G H 1 0.013 -4.961 -0.002 ATOM 15 N7 G H 1 0.868 -3.972 0.001 ATOM 16 C5 G H 1 0.074 -2.835 0.007 ATOM 17 C6 G H 1 0.428 -1.455 0.004 ATOM 18 O6 G H 1 1.553 -0.953 -0.007 ATOM 19 N1 G H 1 -0.699 -0.639 0.006 ATOM 20 C2 G H 1 -1.997 -1.087 0.001 ATOM 21 N2 G H 1 -2.960 -0.148 -0.007 ATOM 22 N3 G H 1 -2.334 -2.364 0.003 ATOM 23 C4 G H 1 -1.260 -3.171 0.007 REMARK nucleiotide conformation: C2'-endo_anti_-g_t_g_t_-g_g ATOM 1 P G I 1 -0.936 -9.575 2.403 ATOM 2 PO1 G I 1 0.131 -9.985 1.451 ATOM 3 PO2 G I 1 -0.636 -9.052 3.763 ATOM 4 O5' G I 1 -1.710 -8.381 1.689 ATOM 5 C5' G I 1 -3.017 -8.018 2.120 ATOM 6 C4' G I 1 -3.595 -7.011 1.148 ATOM 7 O4' G I 1 -2.782 -5.828 1.292 ATOM 8 C3' G I 1 -3.542 -7.407 -0.329 ATOM 9 O3' G I 1 -4.751 -7.070 -1.008 ATOM 10 C2' G I 1 -2.410 -6.554 -0.893 ATOM 11 O2' G I 1 -2.651 -6.135 -2.219 ATOM 12 C1' G I 1 -2.504 -5.343 -0.001 ATOM 13 N9 G I 1 -1.291 -4.538 0.002 ATOM 14 C8 G I 1 0.017 -4.970 0.002 ATOM 15 N7 G I 1 0.875 -3.982 0.000 ATOM 16 C5 G I 1 0.086 -2.826 0.009 ATOM 17 C6 G I 1 0.441 -1.455 -0.000 ATOM 18 O6 G I 1 1.578 -0.959 0.007 ATOM 19 N1 G I 1 -0.690 -0.624 -0.000 ATOM 20 C2 G I 1 -2.002 -1.073 0.004 ATOM 21 N2 G I 1 -2.985 -0.163 0.004 ATOM 22 N3 G I 1 -2.345 -2.355 -0.001 ATOM 23 C4 G I 1 -1.257 -3.162 0.015 REMARK nucleiotide conformation: C2'-endo_anti_-g_t_g_t_-g_t ATOM 1 P G J 1 0.310 -8.515 2.030 ATOM 2 PO1 G J 1 0.098 -9.924 2.363 ATOM 3 PO2 G J 1 1.489 -7.941 1.377 ATOM 4 O5' G J 1 -1.011 -8.036 1.235 ATOM 5 C5' G J 1 -2.320 -8.222 1.809 ATOM 6 C4' G J 1 -3.247 -7.345 1.004 ATOM 7 O4' G J 1 -2.776 -6.010 1.157 ATOM 8 C3' G J 1 -3.182 -7.645 -0.492 ATOM 9 O3' G J 1 -4.483 -7.647 -1.039 ATOM 10 C2' G J 1 -2.285 -6.557 -1.070 ATOM 11 O2' G J 1 -2.609 -6.152 -2.392 ATOM 12 C1' G J 1 -2.485 -5.405 -0.066 ATOM 13 N9 G J 1 -1.297 -4.563 -0.008 ATOM 14 C8 G J 1 0.019 -4.975 0.018 ATOM 15 N7 G J 1 0.867 -3.992 0.003 ATOM 16 C5 G J 1 0.078 -2.844 -0.000 ATOM 17 C6 G J 1 0.424 -1.468 -0.001 ATOM 18 O6 G J 1 1.513 -0.914 -0.014 ATOM 19 N1 G J 1 -0.696 -0.612 0.014 ATOM 20 C2 G J 1 -1.987 -1.084 -0.003 ATOM 21 N2 G J 1 -2.942 -0.110 0.013 ATOM 22 N3 G J 1 -2.332 -2.375 -0.019 ATOM 23 C4 G J 1 -1.248 -3.196 -0.005 REMARK nucleiotide conformation: C3'-endo_anti_-g_t_g_g_-g_-g ATOM 1 P G K 1 -1.294 -7.846 4.334 ATOM 2 PO1 G K 1 -1.817 -9.155 4.779 ATOM 3 PO2 G K 1 0.157 -7.553 4.423 ATOM 4 O5' G K 1 -1.636 -7.686 2.775 ATOM 5 C5' G K 1 -2.880 -8.144 2.224 ATOM 6 C4' G K 1 -3.195 -7.392 0.942 ATOM 7 O4' G K 1 -3.012 -5.967 1.153 ATOM 8 C3' G K 1 -2.261 -7.703 -0.225 ATOM 9 O3' G K 1 -2.602 -8.915 -0.886 ATOM 10 C2' G K 1 -2.422 -6.482 -1.124 ATOM 11 O2' G K 1 -3.557 -6.570 -1.976 ATOM 12 C1' G K 1 -2.553 -5.374 -0.065 ATOM 13 N9 G K 1 -1.314 -4.572 0.006 ATOM 14 C8 G K 1 0.004 -4.987 -0.007 ATOM 15 N7 G K 1 0.864 -4.002 -0.003 ATOM 16 C5 G K 1 0.081 -2.845 -0.003 ATOM 17 C6 G K 1 0.424 -1.445 0.001 ATOM 18 O6 G K 1 1.540 -0.897 -0.002 ATOM 19 N1 G K 1 -0.702 -0.614 -0.008 ATOM 20 C2 G K 1 -1.990 -1.069 -0.008 ATOM 21 N2 G K 1 -2.955 -0.151 0.001 ATOM 22 N3 G K 1 -2.322 -2.354 -0.001 ATOM 23 C4 G K 1 -1.253 -3.188 -0.015 END