Network of cryptic pockets (detected by cooperative changes in solvent exposure)

Results

Figure 1. An interactive network plot of pockets detected as groups of residues showing collective changes in their solvent exposure. Each node represents a pocket and the edge connecting two pockets corresponds to cooperativity between two pockets. Node-size corresponds to intra-pocket cooperativity. The range of node colors corresponds to the center-of-mass distance between pocket residues and user-selected, functionally important residue(s). Clicking on a node, a visualization of a representative protein configuration with the key residues of the pocket highlighted by a blue surface will appear in the structure visualization on the right. Hovering over an edge will display edge meta-data.

Download figure data: RankedPockets.json

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