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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
  1. The measures are as described in Table 3. The average scores over the test set are shown by the omitted component.