Splitting statistical potentials into meaningful scoring functions: Testing the prediction of near-native structures from decoy conformations

Table 1 Correlation between RMSD and Zscores in MOULDER.

Target					ZE_min	ZE_Aa3DEnv-min	ZE_3DEnv-min	ZE_local-min
1bbh	0.86	0.36	-0.83	-0.80	0.62	0.42	-0.02	-0.71
1c2r	0.71	0.45	-0.48	-0.67	0.69	0.68	-0.43	-0.27
1cau	0.83	0.56	-0.71	-0.72	0.69	0.38	-0.40	-0.74
1cew	0.70	0.31	-0.64	-0.58	0.61	0.08	-0.18	-0.63
1cid	0.41	-0.12	-0.22	-0.59	0.45	0.43	0.10	-0.55
1dxt	0.87	0.75	-0.84	-0.76	0.78	0.76	-0.51	-0.51
1eaf	0.79	0.57	-0.61	-0.64	0.72	0.66	-0.38	-0.55
1gky	0.88	0.54	-0.77	-0.78	0.73	0.61	-0.18	-0.63
1lga	0.88	0.49	-0.68	-0.85	0.84	0.68	-0.40	-0.84
1mdc	0.78	0.50	-0.51	-0.64	0.68	0.40	-0.20	-0.60
1mup	0.85	0.66	-0.80	-0.83	0.80	0.79	0.24	-0.79
1onc	0.78	0.66	-0.58	-0.58	0.80	0.75	-0.29	-0.56
2afn	0.86	0.61	-0.60	-0.83	0.77	0.68	-0.27	-0.83
2cmd	0.81	0.68	-0.82	-0.78	0.63	0.58	-0.46	-0.65
2fbj	0.77	0.35	-0.32	-0.82	0.79	0.58	-0.13	-0.83
2mta	0.72	0.47	-0.16	-0.69	0.77	0.67	-0.02	-0.70
2pna	0.83	0.58	-0.79	-0.55	0.62	0.52	-0.29	-0.46
2sim	0.81	-0.12	-0.73	-0.81	0.66	0.20	-0.36	-0.76
4sbv	0.69	-0.10	-0.65	-0.60	0.54	0.46	-0.07	-0.45
8i1b	0.77	0.68	-0.36	-0.60	0.57	0.67	0.13	-0.43

Pearson product-correlation between Root Mean Square Deviation (RMSD) of MOULDER decoys of 20 target/model sets (in rows) and Zscores (in columns): , , , , ZE_min, ZE_S3DC-min, ZE_3DC-min, and ZE_local-min.

ISSN: 1472-6807