Table 1.

Results for the Test Set

PDB ID	RMSD 1	Rank	RMSD 2	min E	PDB ID	RMSD 1	Rank	RMSD 2	min E
1aaq	1.01	12	14.78	−44.03	1lst	0.88	137	10.86	−65.26
1acj	4.99	3	11.54	−18.11	1mdr	1.19	261	11.39	−17.59
1ack	4.67	60	7.10	−24.35	1mrg	0.70	400	13.02	−37.46
1aha	1.49	96	12.75	−21.77	1mrk	0.77	118	14.30	−39.64
1azm	1.32	91	17.31	−189.31	1mup	2.08	467	6.48	−11.13
1baf	5.41	99	16.72	−41.26	1pbd	2.11	751	11.45	−131.71
1cbs	1.18	55	11.20	−78.26	1poc	2.12	8	16.92	−46.69
1cbx	1.64	56	4.44	−84.30	1snc	1.60	103	15.93	−112.94
1cil	1.12	29	10.43	−214.63	1srj	0.47	226	14.73	−95.99
1coy	1.44	4	2.15	−27.46	1stp	1.55	95	17.37	−22.76
1cps	1.08	46	8.79	−39.46	1tdb	1.68	291	18.40	−164.09
1dbb	1.06	206	19.67	−40.33	1tng	1.25	69	17.23	−13.71
1dbj	1.05	54	16.14	−28.72	1tnl	0.75	157	17.37	−36.95
1dr1	1.03	122	12.26	−51.56	1tph	1.20	267	11.23	−150.81
1dwd	0.83	2	18.35	−24.83	1tpp	1.00	189	10.63	−98.97
1eap	1.81	46	14.86	−106.86	1ulb	0.87	662	11.33	−15.29
1eed	1.37	4	16.97	−27.07	1ukz	0.58	79	13.48	−161.94
1etr	0.66	71	14.95	−109.27	1xid	1.05	729	9.86	−32.43
1fkg	1.94	5	3.63	−30.39	1xie	1.32	205	12.62	−35.76
1fki	0.58	157	9.55	−71.19	2ak3	6.85	73	20.32	−163.77
1ghb	0.64	6	1.39	−20.98	2cgr	1.52	20	21.06	−46.91
1glq	4.19	22	18.92	−18.89	2cmd	0.99	192	18.30	−119.64
1hfc	2.63	730	13.68	−43.62	2ctc	1.32	309	6.98	−92.86
1hsl	1.22	324	11.80	−101.49	2gbp	0.81	146	9.64	−75.78
1hyt	0.98	171	13.49	−87.90	2phh	2.00	486	10.97	−96.61
1icn	1.61	116	15.20	−103.64	2sim	1.83	4	3.43	−48.85
1imb	0.87	629	12.31	−84.96	3cpa	1.49	70	10.86	−101.70
1lah	1.00	171	12.92	−115.91	3ptb	0.98	229	15.13	−20.34
1ldm	0.00	66	17.34	−16.23	3tpi	0.71	98	14.31	−101.80
1lmo	1.14	147	17.33	−27.12	4dfr	1.17	126	16.72	−86.10

RMSD¹, a best (closest to experimental) pose RMSD; RMSD², a lowest energy pose RMSD from the experimental pose; Rank, the rank of best pose concerning its E (kcal/mol).