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. 2017 Aug 15;7:8145. doi: 10.1038/s41598-017-08414-y

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