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. Author manuscript; available in PMC: 2007 Aug 14.
Published in final edited form as: J Chem Theory Comput. 2006;2(3):696–704. doi: 10.1021/ct600060d

Table 1. The average correlation coefficients between computed mean square fluctuations and experimental B-factors for four different resolution levels of coarse-graining as a function of the cutoff distance.

A correlation of 1 shows perfect correlation and 0 the lack of correlation (maxima are indicated in bold).

Cutoff (Å) Residue Level Atomic Level Proton Level Solvent Level
1 -- -- -- --
2 -- 0.17 0.37 0.27
3 -- 0.46 0.59 0.51
4 0.17 0.61 0.58 0.42
5 0.38 0.59 0.59 0.48
6 0.38 0.57 0.59 0.52
7 0.51 0.60 0.60 0.56
8 0.55 0.60 0.61 0.56
9 0.52 0.60 0.61 0.57
10 0.56 0.60 0.60 0.58
11 0.56 0.61 0.60 0.59
12 0.54 0.60 0.60 0.59
13 0.55 0.59 0.59 0.59
14 0.55 0.58 0.59 0.60
15 0.54 0.57 0.58 0.59