Proteome Science

Table 3 Perturbation distance

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

				perturb distance		mean consecutive local
	PDB ID	Length	Fold	% < 1Å	mean (Å)	minima distance (Å)
1	1DTDB	61	αβ	5	6.0	7.2
2	1ISUA	62	αβ	10	5.6	6.5
3	1C8CA	64	αβ	18	5.5	6.3
4	1SAP	66	αβ	18	5.5	6.4
5	1HZ6A	67	αβ	11	5.0	6.0
6	1WAPA	68	β	6	6.4	7.9
7	1FWP	69	αβ	13	5.7	6.9
8	1AIL	70	α	25	4.5	4.5
9	1AOY	78	αβ	21	4.4	5.6
10	1CC5	83	α	23	4.8	6.2
11	2EZK	93	α	24	3.3	4.5
12	1HHP	99	αβ	6	7.2	9.5
13	2HG6	106	αβ	17	6.2	7.9
14	3GWL	106	α	24	4.2	6.1
15	2H5ND	123	α	24	4.6	6.9

The mean perturbation distance and the mean distance between consecutive local minima C _i and C _i ₊₁ is given in columns 6 and 7, respectively. Column 5 represents the percent of C _i _(perturb)'s which are within 1Å lRMSD of C _i and thus deemed to have not escaped the current local minimum.

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ISSN: 1477-5956

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