Table III.

Correlation coefficients for B-factor prediction obtained by optimal FRI (opFRI), parameter free FRI (pfFRI) and Gaussian normal mode (GNM) for medium-size structures.

PDB ID	N	opFRI	pfFRI	GNMa	NMAa
1ABA	87	0.727	0.698	0.613	0.057
1CYO	88	0.751	0.702	0.741	0.774
1FK5	93	0.590	0.568	0.485	0.362
1GXU	88	0.748	0.634	0.421	0.581
1I71	83	0.549	0.516	0.549	0.380
1LR7	73	0.679	0.657	0.620	0.795
1N7E	95	0.651	0.609	0.497	0.385
1NNX	93	0.795	0.789	0.631	0.517
1NOA	113	0.622	0.604	0.615	0.485
1OPD	85	0.555	0.409	0.398	0.796
1QAU	112	0.678	0.672	0.620	0.533
1R7J	90	0.789	0.621	0.368	0.078
1UHA	83	0.726	0.665	0.638b	0.308
1ULR	87	0.639	0.594	0.495	0.223
1USM	77	0.832	0.809	0.798	0.780
1V05	96	0.629	0.599	0.632	0.389
1W2L	97	0.691	0.564	0.397	0.432
1X3O	80	0.600	0.559	0.654	0.453
1Z21	96	0.662	0.638	0.433	0.289
1ZVA	75	0.756	0.579	0.690	0.579
2BF9	36	0.606	0.554	0.680b	0.521
2BRF	100	0.795	0.764	0.710	0.535
2CE0	99	0.706	0.598	0.529	0.628
2E3H	81	0.692	0.682	0.605	0.632
2EAQ	89	0.753	0.690	0.695	0.688
2EHS	75	0.720	0.713	0.747	0.565
2FQ3	85	0.719	0.692	0.348	0.508
2IP6	87	0.654	0.578	0.572	0.826
2MCM	113	0.789	0.713	0.639	0.643
2NUH	104	0.835	0.691	0.771	0.685
2PKT	93	0.162	0.003	−0.193b	−0.165
2PLT	99	0.508	0.484	0.509b	0.187
2QJL	99	0.594	0.584	0.594	0.497
2RB8	93	0.727	0.614	0.517	0.485
3BZQ	99	0.532	0.516	0.466	0.351
5CYT	103	0.441	0.421	0.331	0.102

^aGNM and NMA values are taken from the coarse-grained (Cα) GNM and NMA results reported in Park et al.²⁸

^bValues indicate correlation coefficients, from our own test of GNM, that have significantly increased compared to the values reported by Park et al.²⁸ See Sec. III C for details regarding the calculation of new GNM scores.