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Figure 5 | BMC Bioinformatics

Figure 5

From: Volume-based solvation models out-perform area-based models in combined studies of wild-type and mutated protein-protein interfaces

Figure 5

Complete-HighSA and Complete-LowSA sidechain packing compared. (a) Total ASA for wild-type complexes, calculated for the experimental structures (wild-type), and repacking of all sidechains in the Complete-HighSA and Complete-LowSA schemes. (b) Molecular surface of experimental structure (1b27 subunits A and D) for barnase (green) – barstar (pink), with Complete-HighSA (red) and Complete-LowSA (blue) repacked sidechains protruding. Drawn with the program Swiss-PdbViewer [48]. (c) Correlation between Δ(ASA) (total buried surface area) in the complexes for Complete-HighSA and Complete-LowSA repacking (R2 = 0.91).

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