Table 6 Effects of the omission of each energy calculation component from the DFMAC function.
From: A knowledge-based structure-discriminating function that requires only main-chain atom coordinates
omitted component | Rnat | C α RMSD | Z-score | C.C. | F.E.(%) | logPB1 | logPB10 | C.C.decoy | F.E.decoy(%) |
|---|---|---|---|---|---|---|---|---|---|
none | 6.8 | 1.174 | 2.630 | 0.559 | 38.7 | -0.75 | -1.41 | 0.518 | 25.1 |
DIST | 6.9 | 1.087 | 2.687 | 0.547 | 38.1 | -0.76 | -1.40 | 0.508 | 25.4 |
DABG | 16.2 | 2.444 | 2.062 | 0.554 | 36.9 | -0.69 | -1.40 | 0.507 | 25.8 |
HBND | 6.0 | 1.301 | 2.523 | 0.558 | 39.3 | -0.76 | -1.44 | 0.520 | 26.5 |
PPDA | 6.7 | 1.197 | 2.617 | 0.558 | 39.1 | -0.75 | -1.44 | 0.518 | 25.0 |
OMDA | 12.0 | 1.036 | 2.582 | 0.555 | 39.5 | -0.76 | -1.42 | 0.517 | 25.4 |
SURR | 11.6 | 1.519 | 2.737 | 0.487 | 35.2 | -0.68 | -1.37 | 0.442 | 22.0 |