Table 2.
Interface metrics for cognate and non-cognate models generated using local refine and local dock.
Method | Metric | Crystal structure | Bound | Unbound | Homology | |||
---|---|---|---|---|---|---|---|---|
Cognate | Non-cognate | Cognate | Non-cognate | Cognate | Non-cognate | |||
Local Refine | Interface hydrogen bonds | 7.7 ± 3.3 | 6.9 ± 2.4 | 1.8 ± 1.7 | 3 ± 1.5 | 1.7 ± 1.4 | 2.4 ± 1.5 | 2.2 ± 1.5 |
Buried unsat. interface polar atoms | 10.1 ± 4.3 | 10.5 ± 4.2 | 7.9 ± 4.2 | 11.2 ± 5.7 | 7.4 ± 4.1 | 8.5 ± 3.7 | 6.7 ± 3.6 | |
Surface area change upon binding (Å2) | 1622 ± 290 | 1670 ± 299 | 1212 ± 317 | 1467 ± 321 | 1187 ± 332 | 1351 ± 337 | 1148 ± 322 | |
Local Dock | Interface hydrogen bonds | 7.7 ± 3.3 | 6 ± 3 | 3.2 ± 1.8 | 3.1 ± 2.1 | 3.4 ± 1.8 | 3 ± 1.6 | 3.2 ± 1.9 |
Buried unsat. interface polar atoms | 10.1 ± 4.3 | 11.7 ± 3.7 | 8.4 ± 3.7 | 9.2 ± 4 | 8.3 ± 3.5 | 8.4 ± 3.5 | 7.8 ± 3.3 | |
Surface area change upon binding | 1622 ± 290 | 1636 ± 290 | 1309 ± 258 | 1394 ± 316 | 1328 ± 251 | 1332 ± 213 | 1292 ± 265 |