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. Author manuscript; available in PMC: 2017 Sep 14.
Published in final edited form as: J Am Chem Soc. 2016 Sep 2;138(36):11850–11859. doi: 10.1021/jacs.6b06454

Figure 6.

Figure 6

Effect of GT-3 polymorphisms on protease-inhibitor dynamic coupling mapped onto the crystal structures of ASV. Cross-correlations between atomic fluctuations of protease active site residues and ASV atoms in (A) GT-1 and (B) chimeric 1a3a constructs. Warm and cool colors in the matrices indicate positive and negative correlations, respectively. Inhibitor P4 and P3 (magenta) and P2 isoquinoline (green) moieties are highlighted as boxes on the correlation matrix, and colored on the structures where protease residues with positive correlations with the corresponding moieties are in yellow, and those with no considerable dynamic correlation in gray.