Evolutionary-inspired probabilistic search for enhancing sampling of local minima in the protein energy surface

Table 1 Target proteins

	PDB id	Length	Fold	% α	% β	lRMSD of nearest local minimum to native (Å)
1	1DTDB	61	αβ	14	45	1.3
2	1ISUA	62	αβ	14	19	0.4
3	1C8CA	64	αβ	21	48	1.5
4	1SAP	66	αβ	30	43	2.9
5	1HZ6A	67	αβ	29	38	2.0
6	1WAPA	68	β	0	56	1.5
7	1FWP	69	αβ	15	12	0.4
8	1AIL	70	α	80	0	2.5
9	1AOY	78	αβ	41	10	3.9
10	1CC5	83	α	46	2	1.5
11	2EZK	93	α	63	0	2.9
12	1HHP	99	αβ	7	48	2.2
13	2HG6	106	αβ	28	17	2.5
14	3GWL	106	α	69	0	2.7
15	2H5ND	123	α	65	1	1.7

The PDB id, length, and fold are given for each of the 15 target proteins. Columns 5 and 6 represent the percentage of amino acids which are α helices and β sheets, respectively, for each target. Column 7 gives the lRMSD between the native structure and the closest local minimum found when performing multiple greedy local searches starting from the native structure.

ISSN: 1477-5956