Basin Hopping as a General and Versatile Optimization Framework for the Characterization of Biological Macromolecules

Table 2

Comparison of the lowest lRMSDs obtained by BH to those obtained by other methods. Systems that are CAPRI targets are denoted by an asterisk.

Number	PDB ID; (chains)	Size	BH (Å)	[66] (Å)	[91] (Å)
1	1c1y (A,B)	1376, 658	1.8	1.2	N/A
2	1ds6 (A,B)	1413, 1426	3.4	1.2	N/A
3	1tx4 (A,B)	1579, 1378	2.4	1.4	N/A
4	1www (W,Y)	862, 782	2.6	11.4	N/A
5	1flt (V,Y)	770, 758	2.7	1.5	N/A
6	1vcb (A,B)	755, 692	3.4	0.8	N/A
7	1vcb (B,C)	692, 1154	2.7	13.1	N/A
8	1ohz^∗ (A,B)	1027, 416	2.7	1.7	0.6
9	1t6g^∗ (A,C)	2628, 1394	3.6	1.7	3.8
10	1zhi^∗ (A,B)	1597, 1036	4.6	25.3	3.4
11	2hqs^∗ (A,C)	3127, 856	2.6	29.1	2.5
12	1qav (A,B)	663, 840	2.6	1.4	N/A
13	1g4y (B,R)	682, 1156	4.1	0.8	N/A
14	1cse (E,I)	1920, 522	2.4	0.7	N/A
15	1g4u (R,S)	1398, 2790	3.2	1.0	N/A