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. Author manuscript; available in PMC: 2017 Jun 1.
Published in final edited form as: Proteins. 2016 Apr 9;84(6):841–854. doi: 10.1002/prot.25034

Figure 7.

Figure 7

Side-chain centers provide most informative reference points for both WCN and Voronoi tessellation. (A) Distribution of correlations of WCN with ER, for seven different coordinate sets according to which WCN was calculated: SC, AA, CB, CA, N, C, O. Each coordinate set represents a different way of identifying the reference location of each residue. For SC (Side Chain) and AA (entire Amino Acid), the reference point is given, respectively, by the geometric average coordinates of the Side Chain (SC) atoms and the entire Amino Acid (AA) atoms. The latter include the backbone but exclude any Hydrogen. The coordinate sets CB, CA, N, C, and O use the respective atom in the amino acid as the reference point. (B) As in (A), but using Voronoi Cell Volume instead of WCN. (C) As in (A), but the correlations are calculated with RSA instead of with ER. (D) As in (B), but the correlations are calculated with RSA instead of with ER.