Spreadsheet: 11a0c5bb-493e-4d9c-8413-972d2f2b1a3f
Sheet: Sheet1

Unnamed: 0 | Unnamed: 1 | Unnamed: 2 | Unnamed: 3 | Unnamed: 4 | Unnamed: 5 | Success rate over 1000 simulated experiments | Unnamed: 7 | Unnamed: 8 | Unnamed: 9 | Unnamed: 10 | Unnamed: 11 | Average # of identified interface residues over 1000 simulated experiments | Unnamed: 13 | Unnamed: 14 | Unnamed: 15 | Unnamed: 16 | Unnamed: 17
 |  |  |  |  |  | Blind |  |  | Guided |  |  | Blind |  |  | Guided
Case | Rec/Lig | Surface residues | Interface residues | Sampling residues | Intersection residues | 10 alanine mutations | 20 alanine mutations | 50 alanine mutations | 10 alanine mutations | 20 alanine mutations | 50 alanine mutations | 10 alanine mutations | 20 alanine mutations | 50 alanine mutations | 10 alanine mutations | 20 alanine mutations | 50 alanine mutations
1AHW | REC | 300 | 24 | 41 | 20 | 0.59 | 0.838 | 0.987 | 1 | 1 | 1 | 0.802 | 1.623 | 3.954 | 4.871 | 9.772 | 20
1AHW | LIG | 164 | 25 | 58 | 3 | 0.796 | 0.979 | 1 | 0.451 | 0.714 | 0.997 | 1.495 | 2.979 | 7.625 | 0.505 | 1.035 | 2.603
1AVX | REC | 157 | 25 | 48 | 25 | 0.834 | 0.97 | 1 | 1 | 1 | 1 | 1.539 | 3.143 | 7.969 | 5.163 | 10.389 | 25
1AVX | LIG | 127 | 20 | 52 | 18 | 0.824 | 0.98 | 1 | 0.984 | 1 | 1 | 1.557 | 3.149 | 7.799 | 3.462 | 6.976 | 17.343
1AZS | REC | 134 | 17 | 53 | 15 | 0.754 | 0.941 | 1 | 0.976 | 0.999 | 1 | 1.248 | 2.553 | 6.344 | 2.85 | 5.68 | 14.146
1AZS | LIG | 253 | 18 | 38 | 18 | 0.522 | 0.805 | 0.985 | 1 | 1 | 1 | 0.762 | 1.487 | 3.612 | 4.748 | 9.507 | 18
1BGX | REC | 307 | 65 | 32 | 24 | 0.91 | 0.992 | 1 | 1 | 1 | 1 | 2.143 | 4.135 | 10.584 | 7.492 | 15.005 | 24
1BGX | LIG | 594 | 72 | 47 | 0 | 0.735 | 0.916 | 0.999 | 0 | 0 | 0 | 1.226 | 2.405 | 6.158 | 0 | 0 | 0
1BJ1 | REC | 309 | 21 | 26 | 21 | 0.492 | 0.761 | 0.979 | 1 | 1 | 1 | 0.646 | 1.35 | 3.47 | 8.113 | 16.159 | 21
1BJ1 | LIG | 153 | 17 | 45 | 17 | 0.721 | 0.92 | 1 | 0.996 | 1 | 1 | 1.136 | 2.292 | 5.443 | 3.756 | 7.604 | 17
1BVK | REC | 153 | 15 | 27 | 13 | 0.658 | 0.896 | 0.997 | 1 | 1 | 1 | 0.97 | 1.93 | 5.028 | 4.824 | 9.662 | 13
1BVK | LIG | 93 | 17 | 25 | 10 | 0.873 | 0.991 | 1 | 1 | 1 | 1 | 1.824 | 3.702 | 9.059 | 3.971 | 7.93 | 10
1BVN | REC | 303 | 33 | 63 | 32 | 0.695 | 0.895 | 0.998 | 0.999 | 1 | 1 | 1.13 | 2.197 | 5.32 | 5.157 | 10.306 | 25.365
1BVN | LIG | 58 | 21 | 31 | 21 | 0.995 | 1 | 1 | 1 | 1 | 1 | 3.598 | 7.253 | 18.053 | 6.807 | 13.535 | 21
1DFJ | REC | 100 | 31 | 45 | 29 | 0.985 | 0.999 | 1 | 1 | 1 | 1 | 3.104 | 6.112 | 15.613 | 6.442 | 12.861 | 29
1DFJ | LIG | 295 | 42 | 58 | 41 | 0.782 | 0.955 | 0.999 | 1 | 1 | 1 | 1.395 | 2.935 | 7.178 | 7.08 | 14.208 | 35.302
1DQJ | REC | 304 | 24 | 35 | 23 | 0.568 | 0.822 | 0.988 | 1 | 1 | 1 | 0.815 | 1.587 | 3.927 | 6.548 | 13.144 | 23
1DQJ | LIG | 93 | 20 | 38 | 11 | 0.914 | 0.996 | 1 | 0.983 | 1 | 1 | 2.156 | 4.291 | 10.832 | 2.868 | 5.814 | 11
1E4K | REC | 312 | 20 | 78 | 7 | 0.487 | 0.738 | 0.971 | 0.61 | 0.878 | 1 | 0.68 | 1.283 | 3.187 | 0.9 | 1.777 | 4.544
1E4K | LIG | 138 | 21 | 68 | 0 | 0.848 | 0.981 | 1 | 0 | 0 | 0 | 1.454 | 3.06 | 7.596 | 0 | 0 | 0
[NAME] | REC | 146 | 40 | 69 | 27 | 0.955 | 0.999 | 1 | 0.991 | 1 | 1 | 2.775 | 5.487 | 13.713 | 3.899 | 7.872 | 19.581
[NAME] | LIG | 325 | 46 | 50 | 39 | 0.793 | 0.961 | 1 | 1 | 1 | 1 | 1.4 | 2.888 | 7.097 | 7.81 | 15.638 | 39
1EZU | REC | 155 | 35 | 59 | 17 | 0.938 | 0.996 | 1 | 0.978 | 0.999 | 1 | 2.274 | 4.535 | 11.325 | 2.866 | 5.793 | 14.412
1EZU | LIG | 230 | 27 | 85 | 25 | 0.725 | 0.918 | 1 | 0.976 | 1 | 1 | 1.12 | 2.396 | 5.886 | 3.013 | 5.922 | 14.684
1FAK | REC | 249 | 33 | 68 | 23 | 0.754 | 0.939 | 0.999 | 0.993 | 1 | 1 | 1.307 | 2.628 | 6.66 | 3.373 | 6.797 | 16.972
1FAK | LIG | 150 | 47 | 34 | 20 | 0.986 | 1 | 1 | 1 | 1 | 1 | 3.135 | 6.286 | 15.538 | 5.871 | 11.779 | 20
1FC2 | REC | 56 | 14 | 44 | 13 | 0.969 | 1 | 1 | 0.987 | 1 | 1 | 2.52 | 5.034 | 12.488 | 2.931 | 5.957 | 13
1FC2 | LIG | 308 | 14 | 60 | 0 | 0.373 | 0.638 | 0.93 | 0 | 0 | 0 | 0.421 | 0.929 | 2.288 | 0 | 0 | 0
1FSK | REC | 314 | 20 | 29 | 20 | 0.516 | 0.748 | 0.961 | 1 | 1 | 1 | 0.626 | 1.262 | 3.259 | 6.881 | 13.809 | 20
1FSK | LIG | 139 | 19 | 49 | 19 | 0.792 | 0.951 | 1 | 0.997 | 1 | 1 | 1.384 | 2.719 | 6.791 | 3.923 | 7.767 | 19
1GCQ | REC | 170 | 13 | 64 | 7 | 0.556 | 0.83 | 0.983 | 0.705 | 0.943 | 1 | 0.742 | 1.524 | 3.791 | 1.127 | 2.15 | 5.516
1GCQ | LIG | 55 | 16 | 39 | 10 | 0.983 | 1 | 1 | 0.967 | 1 | 1 | 2.883 | 5.804 | 14.532 | 2.623 | 5.202 | 10
1HIA | REC | 160 | 24 | 35 | 17 | 0.836 | 0.961 | 1 | 1 | 1 | 1 | 1.503 | 3.007 | 7.6 | 4.831 | 9.761 | 17
1HIA | LIG | 44 | 15 | 27 | 13 | 0.991 | 1 | 1 | 0.999 | 1 | 1 | 3.33 | 6.884 | 15 | 4.745 | 9.635 | 13
1I9R | REC | 282 | 25 | 78 | 20 | 0.586 | 0.859 | 0.995 | 0.96 | 1 | 1 | 0.827 | 1.8 | 4.348 | 2.554 | 5.105 | 12.717
1I9R | LIG | 309 | 21 | 37 | 20 | 0.496 | 0.747 | 0.97 | 1 | 1 | 1 | 0.718 | 1.323 | 3.446 | 5.369 | 10.77 | 20
1IQD | REC | 288 | 26 | 56 | 22 | 0.643 | 0.838 | 0.995 | 0.996 | 1 | 1 | 0.89 | 1.781 | 4.48 | 3.972 | 7.818 | 19.627
1IQD | LIG | 118 | 17 | 23 | 17 | 0.793 | 0.971 | 1 | 1 | 1 | 1 | 1.446 | 2.921 | 7.256 | 7.458 | 14.797 | 17
[NAME] | REC | 297 | 24 | 43 | 24 | 0.585 | 0.851 | 0.989 | 1 | 1 | 1 | 0.771 | 1.662 | 4.005 | 5.618 | 11.145 | 24
[NAME] | LIG | 150 | 25 | 30 | 0 | 0.842 | 0.972 | 1 | 0 | 0 | 0 | 1.644 | 3.391 | 8.415 | 0 | 0 | 0
1K4C | REC | 308 | 22 | 73 | 21 | 0.536 | 0.768 | 0.98 | 0.984 | 0.999 | 1 | 0.71 | 1.394 | 3.538 | 2.925 | 5.666 | 14.44
1K4C | LIG | 292 | 18 | 88 | 8 | 0.488 | 0.736 | 0.968 | 0.665 | 0.872 | 0.999 | 0.629 | 1.204 | 3.059 | 0.9 | 1.766 | 4.539
1KXQ | REC | 303 | 32 | 58 | 31 | 0.674 | 0.906 | 0.997 | 0.999 | 1 | 1 | 1.048 | 2.066 | 5.286 | 5.249 | 10.631 | 26.719
1KXQ | LIG | 88 | 24 | 33 | 23 | 0.966 | 1 | 1 | 1 | 1 | 1 | 2.714 | 5.435 | 13.614 | 6.965 | 13.925 | 23
1NCA | REC | 302 | 27 | 42 | 25 | 0.626 | 0.847 | 0.99 | 1 | 1 | 1 | 0.88 | 1.784 | 4.374 | 5.94 | 11.972 | 25
1NCA | LIG | 231 | 27 | 82 | 15 | 0.732 | 0.943 | 0.999 | 0.885 | 0.986 | 1 | 1.17 | 2.383 | 5.795 | 1.844 | 3.652 | 9.133
1NW9 | REC | 168 | 17 | 37 | 15 | 0.684 | 0.901 | 0.999 | 0.998 | 1 | 1 | 0.973 | 2.087 | 5.025 | 4.045 | 8.194 | 15
1NW9 | LIG | 82 | 27 | 47 | 20 | 0.986 | 1 | 1 | 0.997 | 1 | 1 | 3.329 | 6.648 | 16.455 | 4.282 | 8.452 | 20
1QFW | REC | 157 | 21 | 35 | 18 | 0.762 | 0.945 | 1 | 1 | 1 | 1 | 1.347 | 2.727 | 6.586 | 5.205 | 10.297 | 18
1QFW | LIG | 159 | 18 | 33 | 0 | 0.729 | 0.924 | 0.999 | 0 | 0 | 0 | 1.143 | 2.207 | 5.685 | 0 | 0 | 0
1SBB | REC | 184 | 13 | 41 | 0 | 0.51 | 0.76 | 0.988 | 0 | 0 | 0 | 0.716 | 1.395 | 3.557 | 0 | 0 | 0
1SBB | LIG | 167 | 15 | 51 | 0 | 0.608 | 0.866 | 1 | 0 | 0 | 0 | 0.867 | 1.818 | 4.476 | 0 | 0 | 0
1VFB | REC | 158 | 16 | 29 | 16 | 0.655 | 0.895 | 1 | 1 | 1 | 1 | 1.077 | 2.107 | 5.055 | 5.55 | 11.05 | 16
1VFB | LIG | 98 | 17 | 31 | 7 | 0.874 | 0.989 | 1 | 0.96 | 1 | 1 | 1.707 | 3.413 | 8.639 | 2.25 | 4.469 | 7
1Y64 | REC | 339 | 33 | 79 | 9 | 0.655 | 0.865 | 0.995 | 0.71 | 0.942 | 1 | 0.943 | 1.913 | 4.86 | 1.101 | 2.349 | 5.642
1Y64 | LIG | 254 | 37 | 89 | 18 | 0.812 | 0.975 | 1 | 0.897 | 0.996 | 1 | 1.41 | 2.894 | 7.299 | 1.992 | 4.035 | 10.108
1Z5Y | REC | 103 | 18 | 21 | 13 | 0.868 | 0.988 | 1 | 1 | 1 | 1 | 1.717 | 3.392 | 8.815 | 6.124 | 12.356 | 13
1Z5Y | LIG | 89 | 16 | 21 | 13 | 0.876 | 0.99 | 1 | 1 | 1 | 1 | 1.79 | 3.706 | 8.98 | 6.202 | 12.377 | 13
2AJF | REC | 418 | 25 | 46 | 0 | 0.465 | 0.731 | 0.954 | 0 | 0 | 0 | 0.617 | 1.184 | 2.955 | 0 | 0 | 0
2AJF | LIG | 144 | 21 | 32 | 2 | 0.778 | 0.962 | 1 | 0.53 | 0.867 | 1 | 1.483 | 2.844 | 7.255 | 0.628 | 1.247 | 2
2B42 | REC | 246 | 35 | 44 | 32 | 0.802 | 0.958 | 1 | 1 | 1 | 1 | 1.388 | 2.948 | 6.994 | 7.173 | 14.538 | 32
2B42 | LIG | 133 | 33 | 47 | 31 | 0.955 | 1 | 1 | 1 | 1 | 1 | 2.405 | 4.964 | 12.403 | 6.657 | 13.243 | 31
2C0L | REC | 223 | 30 | 75 | 22 | 0.769 | 0.955 | 1 | 0.969 | 1 | 1 | 1.335 | 2.67 | 6.724 | 2.914 | 5.829 | 14.665
2C0L | LIG | 97 | 17 | 35 | 7 | 0.889 | 0.991 | 1 | 0.92 | 0.998 | 1 | 1.739 | 3.436 | 8.83 | 1.944 | 3.984 | 7
2FD6 | REC | 302 | 13 | 31 | 13 | 0.363 | 0.563 | 0.909 | 1 | 1 | 1 | 0.425 | 0.85 | 2.168 | 4.192 | 8.346 | 13
2FD6 | LIG | 216 | 16 | 56 | 15 | 0.531 | 0.795 | 0.983 | 0.971 | 1 | 1 | 0.742 | 1.531 | 3.696 | 2.644 | 5.403 | 13.389
2HMI | REC | 730 | 16 | 40 | 10 | 0.196 | 0.357 | 0.667 | 0.975 | 1 | 1 | 0.214 | 0.42 | 1.072 | 2.512 | 5.046 | 10
2HMI | LIG | 319 | 19 | 45 | 19 | 0.462 | 0.701 | 0.968 | 0.998 | 1 | 1 | 0.627 | 1.253 | 2.984 | 4.315 | 8.376 | 19
2QFW | REC | 171 | 22 | 56 | 21 | 0.759 | 0.942 | 0.999 | 0.995 | 1 | 1 | 1.354 | 2.571 | 6.481 | 3.685 | 7.494 | 18.711
2QFW | LIG | 159 | 17 | 45 | 17 | 0.681 | 0.905 | 0.999 | 0.996 | 1 | 1 | 1.057 | 2.146 | 5.279 | 3.731 | 7.565 | 17
2UUY | REC | 154 | 21 | 38 | 16 | 0.803 | 0.96 | 1 | 0.999 | 1 | 1 | 1.346 | 2.741 | 6.82 | 4.277 | 8.403 | 16
2UUY | LIG | 52 | 10 | 30 | 6 | 0.92 | 0.995 | 1 | 0.942 | 1 | 1 | 1.926 | 3.801 | 9.638 | 2.065 | 3.952 | 6
2VIS | REC | 313 | 16 | 43 | 15 | 0.424 | 0.65 | 0.951 | 0.997 | 1 | 1 | 0.521 | 1.044 | 2.523 | 3.495 | 6.981 | 15
2VIS | LIG | 677 | 20 | 78 | 7 | 0.272 | 0.425 | 0.787 | 0.618 | 0.895 | 0.999 | 0.265 | 0.624 | 1.518 | 0.88 | 1.821 | 4.509
 |  |  |  |  |  | # strictly better cases |  |  | 63 | 56 | 30 |  |  |  | 63 | 63 | 59
 |  |  |  |  |  | # better or equal cases |  |  | 63 | 64 | 65 |  |  |  | 63 | 63 | 59
 |  |  |  |  |  | Total number of cases |  |  | 74 | 74 | 74 |  |  |  | 74 | 74 | 74
 |  |  |  |  |  | % strictly better cases |  |  | 0.8513513513513513 | 0.7567567567567568 | 0.4054054054054054 |  |  |  | 0.8513513513513513 | 0.8513513513513513 | 0.7972972972972973
 |  |  |  |  |  | % better or equal cases |  |  | 0.8513513513513513 | 0.8648648648648649 | 0.8783783783783784 |  |  |  | 0.8513513513513513 | 0.8513513513513513 | 0.7972972972972973
 |  |  |  |  |  | P-value strictly better cases |  |  | < 1.0E-04 | 0.0061 | 0.7403 |  |  |  | < 1.0E-04 | < 1.0E-04 | < 1.0E-04
 |  |  |  |  |  | P-value better or equal cases |  |  | < 1.0E-04 | 0.002 | 0.9975 |  |  |  | < 1.0E-04 | < 1.0E-04 | < 1.0E-04
 |  |  |  |  |  |  |  |  |  |  | Average | 1.392027027027027 | 2.801716216216216 | 6.960905405405408 | 3.731175675675675 | 7.466216216216219 | 14.68468918918919