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. 2020 Feb 28;16(2):e1007710. doi: 10.1371/journal.pcbi.1007710

Fig 8. Dynamic cross-correlation analysis reveals intramolecular communication.

Fig 8

DCC provides a residue-by-residue pairwise comparison of motion in MD trajectories to reveal correlations/anti-correlations in protein movement. A. An average DCC matrix for E2 –calculated by combining data from H77, 1b09 and J6. Color-coding indicates the degree of correlation. Specific features are highlighted. B. H77 E2 model annotated to highlight specific structural features. C. Images illustrating structural features and their corresponding DCC signatures. Helices and β-sheets (i and ii) impart local correlation, these appear diagonally relative to the central polypeptide chain. Disulphide bonds (iii and iv) can cross-link protein regions resulting in distant correlations.