. Author manuscript; available in PMC: 2008 Apr 28.

Published in final edited form as: Structure. 2007 Feb;15(2):169–177. doi: 10.1016/j.str.2006.12.006

Table 2.

Prediction quality of CHARMM BNM from different numbers of lowest-frequency modes.

	Variance fraction^a	Dot product^b	Overlap fraction^b	Isotropic corr^c
3 modes	0.272	0.632	0.153	0.531
5 modes	0.348	0.634	0.305	0.557
10 modes	0.473	0.640	0.451	0.600
20 modes	0.623	0.643	0.536	0.622
30 modes	0.720	0.645	0.563	0.632
40 modes	0.791	0.646	0.578	0.640
50 modes	0.847	0.648	0.589	0.645
60 modes	0.894	0.650	0.594	0.650

variation represented by the indicated subset of modes as a fraction of the variance from 100 lowest frequency modes, excluding rigid-body modes

mean comparisons with ADPs from individual Cα atoms

mean isotropic correlation over 83 entire structures