Figure 1.

Comparison of amino acid frequency with large fluctuations in B-factor, actual NMA value, and internal, and external motions. (A) B-factor vs. actual NMA value, (B) B-factor vs. internal motion, and (C) B-factor vs. external motion are shown. Internal/external motion used values calculated using NMA. The horizontal and vertical axes respectively show the amino acid frequency with large fluctuations in the B-factor and actual NMA/internal/external motions. Data points close to the diagonal represent residues appearing with nearly equal frequency in B-factor and actual NMA/internal/external motions, although they deviated considerably from the diagonal represent residues appearing with different frequencies. Amino acids whose frequencies differ significantly based on t-test (p < 0.01) are shown as filled symbols. The CCs stand for the correlation coefficients between frequencies in B-factor and actual NMA/internal/external motions. The frequencies were estimated using 460 chains excluding NMR data from the dataset described in the Dataset section. The B-factor and three motions were normalized using the same method as that described in the Dataset section.