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Figure 13 | BMC Bioinformatics

Figure 13

From: Polyphony: superposition independent methods for ensemble-based drug discovery

Figure 13

A sequence alignment sorted and annotated by structural and conformational features. (a) dendrogram and (b) sequence alignment view of CDK2 structures shown in Jalview [46]. The alignment is ordered by the tree, generated by hierarchical clustering using backbone curvature-and-torsion Pearson similarity. The red vertical line in the dendrogram cuts the chains into 3 large clusters, which correspond to monomeric (green), cyclin bound (purple) and cyclin bound and phosphorylated (red). Amino acids in the alignment are colour-coded by B-factor (red) and protein-protein contacts from PICCOLO [43] (cyan). White gaps indicate disordered residues.

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