Pairwise potential function.

(Left) Pair potential score as a function of interaction distance for K-D based on definition of C_α, C_β, and C_m, respectively. (Middle) Interaction score as a function of C_m distance between two hydrophobic amino acids, A-V, and two negatively charged amino acids, L-A, respectively. (Right) Predictive performance as a function of the interactions distance cutoff for three types of interaction centers. The predictive performance is estimated in terms of the Pearsons correlation for the 1173 peptide data in the training data set.