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. Author manuscript; available in PMC: 2013 May 1.
Published in final edited form as: Proteins. 2012 Feb 13;80(5):1425–1435. doi: 10.1002/prot.24040

Table 3.

Correlation coefficients and RMS of the four example predictions.

PDB ID Correlation Coefficient RMS (Å)
B-factor Prediction B-factor B-factor,
rescaled
α =1.0 a)
B-factor,
rescaled
(α) b)
Prediction
1mof 0.69 0.80 4.92 1.91 1.91 (1.0) 1.55
1dq3 0.50 0.81 0.94 2.64 0.85 (0.4) 0.71
1gpc 0.55 0.78 1.93 4.32 1.42 (0.4) 1.04
1alx 0.61 0.82 1.60 1.72 1.09 (0.6) 0.79

The data correspond to plots at the left panels in Figure 6.

a)

Fluctuations computed from B-factor were rescaled with α = 1.0 in Equation 9. This value corresponds to the curve “Fluctuation from B-factor, rescaled” in Figure 6.

b)

Fluctuations computed from B-factor were rescaled with the weight factor α (Eq. 9) ranging from 0.1 to 1.0 with an interval of 0.1. Then, the smallest RMS obtained is shown together with the used α value in the parentheses.