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Favorable charge–pair distance distributions determined by MD simulations of abc for (A) axial KD interactions, (B) lateral KD interactions, (C) axial DK interactions, and (D) lateral DK interactions. Distributions are averaged over all occurrences of a particular class of interactions. Distances are between the closest side-chain carboxylate oxygen on Asp and the terminal side-chain amine on Lys. Residue-pair-specific distributions are presented in SI Appendix, Fig. S2.
