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. Author manuscript; available in PMC: 2014 Dec 29.
Published in final edited form as: Nat Commun. 2014 Dec 8;5:5635. doi: 10.1038/ncomms6635

Figure 3.

Figure 3

Analysis of binding interface and catch bond mechanism from SMD. (a) Surface plots for the main interacting residues of Coh (left) and Doc (right). Hydrophobic residues are shown in gray, polar residues in green, and negative and positive residues in red and blue, respectively. Both Coh and Doc exhibit a hydrophobic patch in the center of the binding surface that is surrounded by polar and charged residues. (b) Rearrangement of binding residues of Coh (blue) and Doc (red) under force. Following mechanical loading, an interdigitated complex is formed that resembles teeth of a zipper. (c,d) Surface contact area of interacting residues of Coh (c) and Doc (d) in the absence and presence of force. Residues forming prevalent hydrogen bonds are indicated with stars. (e) Total contact surface area of Coh and Doc in unloaded and loaded conformations.