Table 1. Comparison to the bound form of the poses obtained by (I) bound docking, (II) position-specific and (III) non-position specific filtering of chain-forming poses.

		I. Docking poses (top 20%)				II. 6-pool filtered poses				III. Single-pool filtered poses
		Hits	Near-hits	Total	min RMSD	Hits a	Near-hits a	Total	min RMSD	Hits a	Near-hits a	Total	min RMSD
1B7F	frag1	11	110	2566	0.7 Å	10	17	23	0.7 Å	10	17	206	0.7 Å
	frag2	13	82	2409	1.0 Å	13	17	24	1.0 Å	13	21	206	1.0 Å
	frag3	29	92	2568	0.9 Å	25	31	47	0.9 Å	25	33	206	0.9 Å
	frag4	31	110	2526	0.5 Å	25	31	58	0.5 Å	25	34	206	0.5 Å
	frag5	32	109	2471	0.5 Å	30	40	68	0.5 Å	31	45	206	0.5 Å
	frag6	20	62	2517	0.5 Å	20	35	89	0.5 Å	20	35	206	0.5 Å
	total	136	565	15157		123	171	292		124	185	206
	chain					6.1×105	6.1×105	6.1×105	1.0 Å	0	0	0
1CVJ	frag1	9	10	2193	1.2 Å	9	10	22	1.2 Å	9	10	106	1.2 Å
	frag2	21	77	2036	1.1 Å	21	42	42	1.1 Å	21	44	106	1.1 Å
	frag3	17	56	1881	0.9 Å	16	19	19	0.9 Å	16	19	106	0.9 Å
	frag4	13	27	2110	0.9 Å	13	13	13	0.9 Å	13	13	106	0.9 Å
	frag5	3	6	2088	0.8 Å	3	3	3	0.8 Å	3	3	106	0.8 Å
	frag6	5	10	2174	0.6 Å	5	5	5	0.6 Å	5	5	106	0.6 Å
	total	68	186	12482		67	92	104		67	94	106
	chain					3.2×105	3.4×105	3.4×105	0.9 Å	0	0	0

^a Hits and near-hits correspond to poses with RMSD < 2 Å and < 5 Å respectively. Chains are formed by 6 fragments