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. Author manuscript; available in PMC: 2013 Oct 13.

Published in final edited form as: J Mol Graph Model. 2012 Oct 13;38:430–445. doi: 10.1016/j.jmgm.2012.10.001

Decomposition of ΔG on a per-residue basis into contributions from the van der Waals energy (vdw), the sum of electrostatic interactions and polar solvation energy (ele + GB), and nonpolar solvation energy (nonpol) for the residues of |ΔG| ≥ 1.0 kcal/mol: (a) WT, (b) I50V_PR, (c) V82A_PR and (d) I84V_PR complexes.

Decomposition of ΔG on a per-residue basis into contributions from the van der Waals energy (vdw), the sum of electrostatic interactions and polar solvation energy (ele + GB), and nonpolar solvation energy (nonpol) for the residues of |ΔG| ≥ 1.0 kcal/mol: (a) WT, (b) I50V_PR, (c) V82A_PR and (d) I84V_PR complexes.