Table 4.

Side-chain RMS deviation and dihedral angle prediction accuracy of repacked proteins

	Side-chain dihedrals				Overall RMSD (Å)		Average RMSD (Å)
PDB	χ1	χ1+2	core χ1	core χ1+2	All	Core	All	Core	Number of core residues
153L	93.3	81.1	98.8	93.4	1.05	0.49	0.62	0.34	83
1A7S	89.9	81.0	94.0	91.7	1.49	0.80	0.76	0.40	100
1A8Q	92.4	79.4	97.1	91.7	1.29	0.74	0.67	0.40	139
1AGY	93.2	87.7	95.1	93.4	1.00	0.76	0.53	0.41	81
1AKO	87.6	75.4	92.4	84.5	1.56	1.09	0.88	0.60	132
1AMM	92.4	78.0	98.7	92.7	1.13	0.52	0.72	0.37	76
1ARB	93.1	84.3	92.8	88.6	1.08	0.79	0.52	0.46	125
1B9O	86.6	69.0	92.7	88.9	1.37	0.74	0.82	0.44	55
1BD8	86.0	75.8	93.3	89.5	1.46	0.70	0.80	0.41	60
1BJ7	83.0	67.6	91.4	79.6	1.43	1.06	0.85	0.64	70
1BYI	93.8	78.7	97.9	90.0	1.11	0.68	0.60	0.36	94
1C5E	95.8	84.1	100.0	95.0	1.02	0.38	0.51	0.29	25
1C9O	88.7	78.0	100.0	100.0	1.50	0.17	0.84	0.16	14
1CBN	97.3	90.5	100.0	100.0	0.98	0.17	0.37	0.15	11
1CC7	84.8	71.7	93.1	100.0	1.42	0.49	0.89	0.36	29
1CEM	89.0	80.8	95.2	87.5	1.18	0.84	0.66	0.42	189
1CEX	93.2	85.8	96.3	94.9	1.25	0.67	0.55	0.36	80
1CHD	87.7	73.0	91.4	85.5	1.60	0.71	0.83	0.46	81
1CKU	91.7	78.3	95.7	73.3	0.94	0.57	0.61	0.45	23
1CTJ	93.4	83.0	95.7	94.1	1.02	0.67	0.61	0.34	23
1CZ9	88.3	78.5	91.4	84.6	1.40	0.77	0.80	0.48	58
1CZB	91.0	83.8	94.4	92.1	1.18	0.58	0.68	0.35	54
1CZP	94.0	78.9	97.4	91.7	1.00	0.60	0.62	0.41	38
1D4T	93.3	75.0	95.0	75.0	1.16	0.72	0.68	0.45	40
1DHN	83.8	61.4	97.5	85.2	1.76	0.77	1.08	0.41	40
1ECA	90.7	81.5	96.2	92.7	0.92	0.62	0.61	0.44	53
1EDG	88.8	77.6	93.7	85.1	1.17	0.66	0.68	0.44	205
1GCI	94.3	84.7	97.3	88.2	1.16	1.12	0.51	0.40	113
1HCL	82.6	62.1	85.9	68.5	1.68	1.45	1.05	0.86	142
1IC6	87.3	80.9	91.2	85.0	1.29	1.24	0.65	0.52	136
1IFC	82.3	68.2	96.2	90.0	1.35	0.79	0.93	0.49	52
1IGD	90.0	83.9	100.0	100.0	0.88	0.32	0.59	0.23	14
1IXH	89.7	81.6	91.1	84.6	1.31	1.20	0.70	0.55	146
1KOE	86.8	81.2	92.7	89.3	1.45	0.68	0.74	0.43	82
1MLA	90.7	79.0	95.6	87.2	1.20	0.84	0.67	0.42	137
1MML	86.4	71.0	92.2	82.5	1.37	0.76	0.84	0.51	103
1NAR	90.1	74.1	96.1	86.4	1.17	0.68	0.72	0.46	152
1NLS	88.7	72.8	91.8	82.9	1.36	0.75	0.73	0.47	110
1NOA	95.0	87.5	100.0	100.0	0.97	0.21	0.46	0.17	33
1NPK	89.3	76.7	96.8	93.2	1.41	0.48	0.79	0.32	63
1PLC	86.6	81.0	97.2	91.7	0.88	0.51	0.58	0.36	36
1QJ4	93.6	80.7	97.7	89.8	1.14	0.77	0.65	0.41	131
1QL0	91.5	79.5	95.9	88.5	1.03	0.68	0.57	0.38	122
1QLW	89.6	76.8	93.6	86.0	1.46	0.92	0.74	0.45	157
1QNJ	89.5	80.7	94.5	94.8	1.17	0.61	0.63	0.35	110
1QQ4	90.2	84.8	89.3	89.4	0.96	0.87	0.57	0.52	84
1QTN	81.3	66.4	93.1	81.4	1.85	1.13	1.00	0.59	58
1QTW	88.5	76.8	94.8	85.3	1.42	0.83	0.74	0.46	134
1QU9	90.9	81.2	93.2	92.3	1.00	0.50	0.60	0.33	44
1RCF	93.0	82.7	93.2	85.2	1.32	1.28	0.71	0.59	74
1THV	85.0	81.3	91.3	96.1	1.41	0.55	0.75	0.40	92
1THX	92.7	78.3	97.8	93.5	1.08	0.54	0.63	0.35	46
1VFY	85.7	72.1	100.0	75.0	1.39	0.79	0.75	0.41	19
1VJS	85.2	74.4	88.5	82.6	1.40	1.16	0.80	0.63	244
1WHI	79.2	73.2	88.9	86.4	1.83	1.21	1.02	0.58	45
2BAA	89.9	81.5	93.1	89.3	1.12	0.74	0.67	0.54	102
2CPL	91.7	79.0	98.7	92.3	1.23	0.54	0.68	0.33	79
2END	92.4	80.6	96.6	84.8	1.20	0.73	0.74	0.48	59
2HVM	94.6	82.4	97.0	89.1	1.01	0.62	0.56	0.39	135
2PTH	92.1	82.9	96.2	88.1	1.16	0.93	0.65	0.46	78
2RN2	84.3	60.4	95.0	75.6	2.01	1.72	1.22	0.70	60
3LZT	91.4	82.4	96.6	100.0	1.30	0.44	0.69	0.32	59
5P21	85.4	73.8	92.3	88.7	1.56	1.03	0.88	0.49	78
5PTI	89.1	65.7	100.0	81.8	1.48	0.81	0.88	0.50	16
7RSA	87.2	80.6	92.3	96.6	1.15	0.54	0.67	0.38	52
AVG	89.5	77.9	94.9	88.7	1.27	0.75	0.72	0.43	5375