Download: accessible_complexes.out violations.out z-score.out accessible_interaction_space.mrc O14250.pdb Q9UT97.pdb restraints.dat selection.res receptor_interactions.txt ligand_interactions.txt
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| Consistent restraints (N) | Complexes with at least N | Fraction |
|---|---|---|
| 7 | 48283 | 0.0387 % |
| 6 | 128880 | 0.103 % |
| 5 | 221202 | 0.177 % |
| 4 | 1643867 | 1.32 % |
| 3 | 13245746 | 10.6 % |
| 2 | 17405929 | 13.9 % |
| 1 | 27771853 | 22.2 % |
| 0 | 124915633 | 100 % |
| N | A27(CA)-A18(CA) | A122(CA)-A125(CA) | A122(CA)-A128(CA) | A122(CA)-A127(CA) | A55(CA)-A169(CA) | A55(CA)-A179(CA) | A54(CA)-A179(CA) |
|---|---|---|---|---|---|---|---|
| 1 | 0.7152 | 0.7387 | 0.7279 | 0.7298 | 0.6129 | 0.6453 | 0.6529 |
| 2 | 0.8589 | 0.6419 | 0.5995 | 0.5801 | 0.4998 | 0.4616 | 0.4798 |
| 3 | 0.8511 | 0.5889 | 0.5723 | 0.5752 | 0.4271 | 0.4170 | 0.4143 |
| 4 | 0.0793 | 0.4718 | 0.4339 | 0.4471 | 0.4564 | 0.4449 | 0.4243 |
| 5 | 0.3298 | 0.3366 | 0.0579 | 0.1343 | 0.2078 | 0.1094 | 0.0232 |
| 6 | 0.2413 | 0.2247 | 0.0041 | 0.0046 | 0.1196 | 0.0308 | 0.0001 |
| 7 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | 0.0000 |
| # | Restraint | Average violated fraction | Standard deviation | Z-score |
|---|---|---|---|---|
| 1 | A27(CA)-A18(CA) | 0.439 | 0.337 | 1.546 |
| 2 | A122(CA)-A125(CA) | 0.429 | 0.240 | 1.356 |
| 3 | A122(CA)-A128(CA) | 0.342 | 0.290 | -0.224 |
| 4 | A122(CA)-A127(CA) | 0.353 | 0.279 | -0.028 |
| 5 | A55(CA)-A169(CA) | 0.332 | 0.208 | -0.412 |
| 6 | A55(CA)-A179(CA) | 0.301 | 0.233 | -0.970 |
| 7 | A54(CA)-A179(CA) | 0.285 | 0.251 | -1.268 |
| N ≥ | Residues |
|---|---|
| 4 | 124, 54, 53, 56, 8, 125, 55, 123, 9, 5 |
| 5 | 79, 53, 54, 125, 124, 77, 8, 56, 31, 55 |
| 6 | 79, 125, 124, 53, 77, 8, 54, 56, 31, 9 |
| 7 | 125, 124, 79, 77, 8, 31, 9, 24, 53, 123 |
| Residue | N ≥ 4 | N ≥ 5 | N ≥ 6 | N ≥ 7 |
|---|---|---|---|---|
| 1 | 0.572 | 0.403 | 0.293 | 0.228 |
| 2 | 0.693 | 0.558 | 0.437 | 0.375 |
| 3 | 0.847 | 0.868 | 0.756 | 0.713 |
| 4 | 0.804 | 0.810 | 0.749 | 0.744 |
| 5 | 0.860 | 0.764 | 0.728 | 0.767 |
| 8 | 1.104 | 1.572 | 1.729 | 2.120 |
| 9 | 0.903 | 1.103 | 1.250 | 1.674 |
| 13 | 0.718 | 0.104 | 0.102 | 0.128 |
| 15 | 0.663 | 0.052 | 0.037 | 0.030 |
| 16 | 0.657 | 0.028 | 0.015 | 0.006 |
| 17 | 0.733 | 0.021 | 0.014 | 0.010 |
| 18 | 0.565 | 0.050 | 0.043 | 0.035 |
| 24 | 0.532 | 1.079 | 1.197 | 1.517 |
| 27 | 0.485 | 0.889 | 0.974 | 1.250 |
| 30 | 0.359 | 0.589 | 0.645 | 0.822 |
| 31 | 0.661 | 1.293 | 1.437 | 1.727 |
| 41 | 0.001 | 0.000 | 0.000 | 0.000 |
| 51 | 0.437 | 0.682 | 0.713 | 0.634 |
| 53 | 1.230 | 1.937 | 1.913 | 1.444 |
| 54 | 1.287 | 1.750 | 1.678 | 1.180 |
| 55 | 1.064 | 1.209 | 1.134 | 0.748 |
| 56 | 1.133 | 1.547 | 1.497 | 1.289 |
| 58 | 0.684 | 1.086 | 1.036 | 0.933 |
| 60 | 0.489 | 0.863 | 0.856 | 0.745 |
| 61 | 0.251 | 0.411 | 0.400 | 0.324 |
| 65 | 0.065 | 0.125 | 0.116 | 0.102 |
| 68 | 0.028 | 0.065 | 0.055 | 0.042 |
| 77 | 0.664 | 1.704 | 1.903 | 2.163 |
| 79 | 0.855 | 2.069 | 2.268 | 2.387 |
| 82 | 0.428 | 0.951 | 1.027 | 1.091 |
| 83 | 0.463 | 0.988 | 1.095 | 1.299 |
| 86 | 0.240 | 0.532 | 0.577 | 0.691 |
| 90 | 0.144 | 0.307 | 0.326 | 0.384 |
| 93 | 0.072 | 0.159 | 0.161 | 0.158 |
| 94 | 0.081 | 0.121 | 0.123 | 0.128 |
| 96 | 0.033 | 0.054 | 0.053 | 0.048 |
| 97 | 0.068 | 0.105 | 0.112 | 0.115 |
| 98 | 0.065 | 0.057 | 0.060 | 0.058 |
| 99 | 0.034 | 0.016 | 0.016 | 0.015 |
| 100 | 0.023 | 0.025 | 0.024 | 0.026 |
| 101 | 0.008 | 0.005 | 0.004 | 0.004 |
| 106 | 0.036 | 0.000 | 0.000 | 0.000 |
| 107 | 0.047 | 0.001 | 0.001 | 0.001 |
| 110 | 0.155 | 0.002 | 0.002 | 0.003 |
| 114 | 0.318 | 0.029 | 0.028 | 0.047 |
| 117 | 0.391 | 0.053 | 0.052 | 0.081 |
| 118 | 0.523 | 0.172 | 0.182 | 0.282 |
| 121 | 0.690 | 0.139 | 0.140 | 0.216 |
| 122 | 0.829 | 0.388 | 0.413 | 0.630 |
| 123 | 1.050 | 0.833 | 0.919 | 1.347 |
| 124 | 1.299 | 1.708 | 1.942 | 2.661 |
| 125 | 1.098 | 1.723 | 1.995 | 2.744 |
| 139 | 0.003 | 0.000 | 0.000 | 0.000 |
| 140 | 0.005 | 0.000 | 0.000 | 0.000 |
| 152 | 0.254 | 0.002 | 0.001 | 0.000 |
| 154 | 0.138 | 0.002 | 0.000 | 0.000 |
| 157 | 0.014 | 0.000 | 0.000 | 0.000 |
| 163 | 0.367 | 0.449 | 0.477 | 0.509 |
| 164 | 0.343 | 0.246 | 0.234 | 0.181 |
| 166 | 0.216 | 0.090 | 0.068 | 0.040 |
| 167 | 0.200 | 0.057 | 0.040 | 0.016 |
| 169 | 0.079 | 0.018 | 0.010 | 0.004 |
| 170 | 0.114 | 0.018 | 0.010 | 0.002 |
| 173 | 0.049 | 0.003 | 0.001 | 0.000 |
| 174 | 0.037 | 0.001 | 0.000 | 0.000 |
| 176 | 0.011 | 0.000 | 0.000 | 0.000 |
| 177 | 0.008 | 0.000 | 0.000 | 0.000 |
| 178 | 0.004 | 0.000 | 0.000 | 0.000 |
| 179 | 0.001 | 0.000 | 0.000 | 0.000 |
| 181 | 0.001 | 0.000 | 0.000 | 0.000 |
| 183 | 0.001 | 0.000 | 0.000 | 0.000 |
| 184 | 0.002 | 0.000 | 0.000 | 0.000 |
| 185 | 0.008 | 0.000 | 0.000 | 0.000 |
| 189 | 0.014 | 0.000 | 0.000 | 0.000 |
| 193 | 0.042 | 0.000 | 0.000 | 0.000 |
| 200 | 0.489 | 0.149 | 0.127 | 0.031 |
| 201 | 0.750 | 0.352 | 0.315 | 0.103 |
| 202 | 0.776 | 0.468 | 0.438 | 0.190 |
| 203 | 0.538 | 0.233 | 0.214 | 0.065 |
| 204 | 0.287 | 0.065 | 0.058 | 0.013 |
| 206 | 0.178 | 0.032 | 0.027 | 0.004 |
| 207 | 0.152 | 0.048 | 0.034 | 0.016 |
| 208 | 0.198 | 0.133 | 0.106 | 0.067 |
| 217 | 0.001 | 0.001 | 0.000 | 0.000 |
| 218 | 0.005 | 0.009 | 0.003 | 0.002 |
| 220 | 0.017 | 0.032 | 0.022 | 0.014 |
| 224 | 0.066 | 0.073 | 0.051 | 0.037 |
| 225 | 0.116 | 0.138 | 0.109 | 0.093 |
| N ≥ | Residues |
|---|---|
| 4 | 18, 17, 19, 15, 20, 6, 7, 14, 8, 128 |
| 5 | 18, 19, 17, 128, 129, 15, 20, 127, 7, 130 |
| 6 | 18, 19, 17, 128, 129, 15, 20, 127, 130, 14 |
| 7 | 19, 18, 17, 128, 129, 15, 20, 130, 127, 14 |
| Residue | N ≥ 4 | N ≥ 5 | N ≥ 6 | N ≥ 7 |
|---|---|---|---|---|
| 6 | 1.426 | 1.110 | 0.906 | 0.549 |
| 7 | 1.388 | 1.176 | 1.036 | 0.817 |
| 8 | 1.310 | 1.017 | 0.945 | 0.875 |
| 10 | 0.725 | 0.780 | 0.653 | 0.273 |
| 11 | 0.687 | 0.632 | 0.576 | 0.430 |
| 13 | 0.964 | 0.713 | 0.822 | 1.158 |
| 14 | 1.365 | 1.046 | 1.179 | 1.578 |
| 15 | 1.901 | 1.504 | 1.677 | 2.205 |
| 17 | 2.591 | 2.116 | 2.265 | 2.779 |
| 18 | 2.633 | 2.257 | 2.437 | 2.922 |
| 19 | 2.428 | 2.151 | 2.378 | 2.994 |
| 20 | 1.779 | 1.386 | 1.492 | 1.752 |
| 26 | 0.506 | 0.387 | 0.340 | 0.073 |
| 29 | 0.491 | 0.334 | 0.323 | 0.069 |
| 32 | 0.319 | 0.204 | 0.207 | 0.026 |
| 33 | 0.299 | 0.356 | 0.380 | 0.011 |
| 43 | 0.027 | 0.070 | 0.055 | 0.049 |
| 44 | 0.008 | 0.024 | 0.016 | 0.013 |
| 53 | 0.061 | 0.135 | 0.129 | 0.000 |
| 55 | 0.099 | 0.280 | 0.248 | 0.001 |
| 57 | 0.020 | 0.062 | 0.045 | 0.000 |
| 58 | 0.024 | 0.087 | 0.070 | 0.000 |
| 60 | 0.016 | 0.059 | 0.048 | 0.000 |
| 61 | 0.013 | 0.047 | 0.038 | 0.000 |
| 62 | 0.015 | 0.050 | 0.037 | 0.000 |
| 63 | 0.034 | 0.124 | 0.108 | 0.000 |
| 69 | 0.008 | 0.016 | 0.009 | 0.000 |
| 72 | 0.003 | 0.004 | 0.002 | 0.000 |
| 81 | 0.116 | 0.304 | 0.308 | 0.003 |
| 82 | 0.084 | 0.266 | 0.263 | 0.002 |
| 83 | 0.109 | 0.346 | 0.310 | 0.003 |
| 87 | 0.042 | 0.126 | 0.090 | 0.001 |
| 90 | 0.027 | 0.077 | 0.050 | 0.000 |
| 94 | 0.017 | 0.042 | 0.024 | 0.000 |
| 97 | 0.008 | 0.019 | 0.011 | 0.000 |
| 98 | 0.019 | 0.046 | 0.033 | 0.014 |
| 101 | 0.014 | 0.048 | 0.038 | 0.014 |
| 102 | 0.041 | 0.145 | 0.126 | 0.097 |
| 103 | 0.044 | 0.163 | 0.138 | 0.115 |
| 104 | 0.017 | 0.065 | 0.051 | 0.031 |
| 105 | 0.020 | 0.069 | 0.052 | 0.039 |
| 108 | 0.081 | 0.249 | 0.215 | 0.194 |
| 110 | 0.154 | 0.421 | 0.419 | 0.456 |
| 114 | 0.194 | 0.447 | 0.454 | 0.517 |
| 118 | 0.219 | 0.369 | 0.392 | 0.496 |
| 121 | 0.292 | 0.321 | 0.363 | 0.514 |
| 122 | 0.174 | 0.184 | 0.199 | 0.295 |
| 125 | 0.515 | 0.613 | 0.612 | 0.520 |
| 126 | 0.846 | 1.046 | 1.130 | 1.265 |
| 127 | 0.867 | 1.213 | 1.355 | 1.667 |
| 128 | 1.234 | 1.625 | 1.906 | 2.660 |
| 129 | 0.993 | 1.553 | 1.793 | 2.417 |
| 130 | 0.637 | 1.135 | 1.276 | 1.687 |
| 131 | 0.380 | 0.702 | 0.749 | 0.875 |
| 133 | 0.172 | 0.357 | 0.311 | 0.097 |
| 135 | 0.242 | 0.394 | 0.324 | 0.061 |
| 136 | 0.163 | 0.232 | 0.169 | 0.022 |
| 149 | 0.026 | 0.079 | 0.057 | 0.038 |
| 150 | 0.070 | 0.213 | 0.179 | 0.143 |
| 162 | 0.574 | 0.794 | 0.901 | 1.137 |
| 164 | 0.458 | 0.729 | 0.828 | 1.094 |
| 165 | 0.298 | 0.526 | 0.585 | 0.764 |
| 167 | 0.165 | 0.207 | 0.215 | 0.292 |
| 176 | 0.585 | 0.207 | 0.189 | 0.198 |
| 180 | 0.528 | 0.191 | 0.176 | 0.274 |
| 183 | 0.423 | 0.221 | 0.219 | 0.349 |
| 184 | 0.320 | 0.137 | 0.128 | 0.212 |
| 187 | 0.124 | 0.121 | 0.120 | 0.170 |
| 188 | 0.101 | 0.146 | 0.141 | 0.176 |
| 189 | 0.038 | 0.062 | 0.055 | 0.060 |
| 191 | 0.004 | 0.010 | 0.007 | 0.005 |
| 193 | 0.000 | 0.001 | 0.000 | 0.000 |
| 194 | 0.002 | 0.002 | 0.002 | 0.001 |
| 201 | 0.017 | 0.002 | 0.001 | 0.000 |
| 205 | 0.094 | 0.029 | 0.020 | 0.001 |
| 208 | 0.119 | 0.105 | 0.080 | 0.001 |
| 209 | 0.059 | 0.074 | 0.052 | 0.000 |
| 210 | 0.023 | 0.027 | 0.015 | 0.000 |
| 212 | 0.004 | 0.004 | 0.002 | 0.000 |
| 214 | 0.003 | 0.007 | 0.004 | 0.000 |
| 223 | 0.004 | 0.011 | 0.005 | 0.003 |
| 224 | 0.001 | 0.003 | 0.001 | 0.000 |
| 225 | 0.001 | 0.001 | 0.000 | 0.000 |
| 228 | 0.002 | 0.004 | 0.001 | 0.000 |
| 231 | 0.001 | 0.003 | 0.001 | 0.000 |
| 232 | 0.001 | 0.002 | 0.000 | 0.000 |
| 233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | 0.004 | 0.001 | 0.000 | 0.000 |
| 244 | 0.001 | 0.000 | 0.000 | 0.000 |
| 245 | 0.002 | 0.000 | 0.000 | 0.000 |