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. 2015 Mar 30;290(20):12879–12898. doi: 10.1074/jbc.M114.634493

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© 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

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FIGURE 8. — Heat maps of the predicted docking sites for UC-773587 and UC-857993. Heat maps of predicted contacts with SOS1 made by the ligand in the predicted docking poses for UC-773587 (A) and UC-857993 (B), respectively. Polyview-MM representation of the ensemble of predicted docking poses is used, with individual rows corresponding to clusters of distinct poses, and the residues in contact with the compound in each pose highlighted in magenta. Residues that were found to contribute to binding by mutagenesis are further highlighted by arrows. Mutations that blocked or significantly reduced binding are highlighted using long or short arrows, respectively. The double mutant K814A/I825A is indicated by green arrows.