FIGURE C2.

Pearson correlation coefficients (R_p) from five-fold cross-validation of ${\mathrm{EIC}}_{\alpha ,{\kappa }_1,{\tau }_1;\alpha ,{\kappa }_2,{\tau }_2}^{HH}$ on the PDBbind v2007 refined set (excluding the core set) are plotted against different values of τ₂ and κ₂. The element interactive mean curvatures are utilized for all calculations. While the parameters of the first kernel (τ₁, κ₁) are fixed, the parameters of the second kernel (τ₂, κ₂) are varied in the interested domains. The best parameters and median values of R_p for ${\mathrm{EIC}}_{\alpha ,{\kappa }_1,{\tau }_1;\alpha ,{\kappa }_2,{\tau }_2}^{HH}$ are respectively found to be (A) exponential-kernel model: (τ₁ = 1.0, κ₁ = 2.0, τ₂ = 3.0, κ₂ = 3.0R_p = 0.722) and (B) Lorentz-Kernel model: (τ₁ = 0.5, κ₁ = 3.5, τ₂ = 2.0, κ₂ = 3.5R_p = 0.729)