From: Evaluation of the coarse-grained OPEP force field for protein-protein docking
Complex | ZDOCK | \(E_{86}^{\text {initial}}\) | E 86 | E OPEP | \(E_{\text {OPEP}}^{\text {int}}\) |
---|---|---|---|---|---|
Enzyme/inhibitor | |||||
1ACB | 47 | 11 | 14 | 1 | 16 |
1AVX | 1 | 128 | 3 | 27 | 31 |
1AY7 | 330 | 205 | 358 | 730 | 858 |
1BVN | 1 | 39 | 1 | 98 | 1 |
1CGI | 28 | 52 | 9 | 2 | 70 |
1CLV | 1 | 2 | 1 | 1 | 1 |
1DFJ | 1 | 102 | 1 | 14 | 4 |
1EAW | 332 | 194 | 151 | 469 | 124 |
1EZU | 121 | 919 | 11 | 946 | 559 |
1F34 | 176 | 428 | 2 | 1664 | 79 |
1FLE | 1797 | 179 | 223 | 35 | 424 |
1GL1 | 49 | 116 | 8 | 107 | 34 |
1GXD | 229 | 84 | 2 | 4 | 47 |
1HIA | 389 | 88 | 901 | 1300 | 1392 |
1IJK | 1296 | 924 | 355 | 70 | 5 |
1JIW | 1350 | 504 | 553 | 989 | 851 |
1JTG | 1 | 5 | 1 | 23 | 9 |
1MAH | 1 | 80 | 87 | 9 | 27 |
1NW9 | 750 | 105 | 392 | 857 | 569 |
1N8O | 11 | 11 | 14 | 9 | 12 |
1OC0 | 225 | 82 | 240 | 70 | 83 |
1OPH | 28 | 150 | 422 | 903 | 822 |
2O8V | 34 | 20 | 502 | 112 | 308 |
1OYV | 3 | 34 | 1 | 2 | 381 |
1PPE | 1 | 7 | 1 | 1 | 2 |
1R0R | 533 | 896 | 40 | 151 | 856 |
1TMQ | 7 | 228 | 3 | 295 | 1 |
1UDI | 9 | 446 | 2 | 158 | 2 |
1YVB | 11 | 86 | 47 | 220 | 67 |
2ABZ | 689 | 670 | 772 | 619 | 1121 |
2B42 | 1 | 57 | 40 | 44 | 192 |
2J0T | 1730 | 677 | 179 | 579 | 178 |
2MTA | 1 | 122 | 104 | 13 | 43 |
2OUL | 1 | 30 | 1 | 23 | 1 |
2SIC | 1 | 145 | 1 | 3 | 5 |
3SGQ | 309 | 158 | 16 | 596 | 260 |
2UUY | 258 | 279 | 65 | 180 | 361 |
4CPA | 1 | 1 | 4 | 1 | 20 |
7CEI | 1 | 30 | 55 | 51 | 9 |
\(\varnothing \) | 275.7 | 212.7 | 143.1 | 291.7 | 251.9 |
Antigen/antibody | |||||
1AHW | 1387 | 542 | 1087 | 1161 | 1563 |
1BJ1 | 1 | 20 | 132 | 89 | 230 |
1BVK | 10 | 143 | 356 | 6 | 283 |
1DQJ [a] | 1671 | 150 | – | – | – |
1E6J | 8 | 8 | 39 | 21 | 10 |
1FSK | 5 | 5 | 181 | 135 | 373 |
1I9R | 31 | 39 | 177 | 23 | 109 |
1IQD | 2 | 41 | 1 | 4 | 1 |
1JPS | 1261 | 221 | 14 | 1635 | 1930 |
1KXQ | 6 | 192 | 34 | 532 | 9 |
1K4C | 120 | 201 | 1077 | 14 | 166 |
1MLC | 188 | 1194 | 104 | 395 | 314 |
1NCA | 389 | 331 | 774 | 1091 | 1340 |
1VFB | 45 | 163 | 198 | 33 | 586 |
2FD6 | 2 | 82 | 20 | 16 | 268 |
2HMI | 62 | 178 | 516 | 4 | 766 |
2I25 | 12 | 2 | 7 | 45 | 39 |
2JEL | 22 | 85 | 18 | 49 | 139 |
2VIS | 725 | 557 | 1538 | 625 | 1095 |
\(\varnothing \) | 313.0 | 246.1 | 435.4 | 414.6 | 485.3 |
Other complexes | |||||
1AKJ | 754 | 47 | 1823 | 787 | 1887 |
1B6C | 1 | 13 | 1 | 1 | 1 |
1BUH | 62 | 25 | 304 | 10 | 2 |
1DE4 | 4 | 472 | 38 | 39 | 52 |
1F51 | 9 | 22 | 32 | 166 | 176 |
1FC2 | 1286 | 1672 | 1654 | 896 | 224 |
1FFW | 41 | 47 | 47 | 111 | 433 |
1GLA | 210 | 326 | 1013 | 329 | 1296 |
1GPW | 3 | 2 | 1 | 111 | 997 |
1H9D | 203 | 53 | 386 | 297 | 345 |
1HE1 | 821 | 1837 | 871 | 1907 | 1702 |
1I2M | 354 | 828 | 3 | 482 | 262 |
1JK9 | 998 | 735 | 305 | 891 | 552 |
1JZD | 31 | 141 | 208 | 3 | 92 |
1K74 | 1 | 26 | 1 | 110 | 717 |
1ML0 | 1 | 12 | 2 | 2 | 3 |
1RV6 | 1 | 188 | 4 | 1 | 2 |
1S1Q | 1696 | 925 | 780 | 1635 | 932 |
1SYX | 149 | 345 | 123 | 24 | 781 |
1T6B | 439 | 224 | 14 | 130 | 30 |
1US7 | 150 | 107 | 772 | 283 | 341 |
1WDW | 1 | 3 | 23 | 12 | 326 |
1XD3 | 3 | 25 | 1 | 1 | 1 |
1XU1 | 37 | 69 | 5 | 6 | 1 |
1Z5Y | 31 | 1 | 1 | 1 | 1 |
1ZHI | 187 | 43 | 608 | 156 | 471 |
2AJF | 1115 | 318 | 1029 | 195 | 494 |
2A5T | 824 | 421 | 148 | 573 | 1149 |
2AYO | 6 | 112 | 3 | 700 | 902 |
2CFH | 1 | 18 | 1 | 3 | 3 |
2HLE | 54 | 29 | 20 | 52 | 74 |
2HRK | 2 | 76 | 64 | 30 | 5 |
2IDO | 171 | 314 | 73 | 577 | 11 |
2NZ8 | 1002 | 281 | 81 | 793 | 243 |
2VDB | 43 | 36 | 1 | 13 | 309 |
2Z0E | 123 | 181 | 187 | 684 | 1346 |
3BP8 | 998 | 375 | 131 | 538 | 242 |
3D5S | 524 | 29 | 1 | 34 | 246 |
\(\varnothing \) | 324.6 | 273.1 | 283.1 | 331.1 | 438.2 |