# Optimized generic pairwise interaction parameters for ligand functional groups and amino acid residues

 ligand/residue |  ALA  ARG  CYS  PRO  LEU  ILE  GLU  HIS  TRP  THR  MET  ASP  GLY  PHE  LYS  GLN  SER  ASN  TYR  VAL
---------------------------------------------------------------------------------------------------------------------
aromatic rings  | -4.0 -1.6 -2.9 -4.0 -5.3 -6.3  2.0 -2.4  1.2 -3.3 -2.8  0.3 -2.7 -6.0 -0.1 -1.6 -1.1 -0.8 -4.4 -2.5
ether           | -4.6  1.6 -2.0  3.0 -3.6  0.5  1.4 -3.4 -0.0  0.8 -2.8 -3.2 -3.6 -0.6 -1.8 -1.1  3.7  1.6 -3.5 -2.5
thioether       |  2.9  0.3 -3.0  2.0 -1.7 -2.4 -3.9  4.4 -4.9 -0.7 -3.2  0.3 -2.7 -4.7  2.2  4.5 -0.7  1.0 -2.3  3.9
carbonyl        |  7.0 -2.5  1.8 -3.3 -0.4  3.6  2.0  1.2 -4.3 -2.6  3.3  0.8  2.3  0.9  0.8 -5.6  1.7  3.1 -3.1  1.8
thiocarbonyl    | -1.2  1.0 -4.5 -0.2  5.4 -3.4 -3.6  4.9 -3.9  2.4 -1.9 -0.3  4.6  0.3 -4.2  2.0  1.5 -3.8 -4.3 -0.6
halogene        |  2.3 -0.3 -4.8 -1.4 -4.2  2.4 -0.5  0.3 -1.1 -3.0 -3.5  1.2 -2.4 -5.2 -1.5  2.0  1.0  1.2  1.7 -2.3
guanidine       | -8.1  2.8 -4.3  1.6  2.4 -1.1  0.5  0.2 -2.2  0.7 -0.3 -3.1  2.5  2.2 -0.9  3.6 -0.7 -1.4  2.9 -2.1
amide           |  2.7  0.7 -2.8  1.1 -0.9  1.4 -2.2 -3.2 -0.3 -1.4  0.3 -0.1 -4.9 -3.1 -2.6 -0.8 -2.9 -2.0  0.1 -3.4
carboxyl        | -2.5 -4.7 -1.4 -5.7  0.9 -0.7  1.9 -3.2  1.6 -1.2  2.8  0.1 -6.5  1.4 -5.4 -0.8 -0.6  0.5 -4.1  2.7
amine           |  1.5 -3.2 -0.5  4.4 -1.3 -2.1 -3.0 -0.6 -2.7  0.8  2.0 -7.2 -1.8 -3.9  0.1 -0.3 -2.5 -1.7 -0.1 -5.1
phosphate       | -1.2 -3.4 -2.6 -2.0  3.1 -0.4 -0.4 -1.8  1.9 -4.8  0.2 -2.7 -6.7 -0.3 -3.4  0.0 -1.1 -3.5 -0.6 -1.7
sulphate        | -2.1 -0.2 -2.6  5.8  5.2 -0.5  4.8 -0.6 -2.6 -3.4 -1.4  3.8 -1.3 -2.2  4.7 -1.9 -3.7 -3.2 -1.3  3.7
nitro group     |  1.3 -0.5 -0.8 -0.7  0.2 -0.3  1.9 -2.0 -2.9  0.6 -4.0  0.2 -3.3  0.4  4.8 -2.2  0.2  1.2 -1.6  1.3
metals          | -2.3  2.1 -8.1 -3.2  5.6  6.1 -4.3 -5.7  3.4  3.3  3.3 -4.4 -1.5  5.5 -1.3  5.1  1.7 -3.8  2.0  2.4
hydroxyl        | -2.5 -1.8  0.4  2.1  2.8  0.4 -4.5 -2.3 -5.2 -1.9 -0.5 -4.1 -3.3 -1.4 -0.1 -3.5 -0.9 -2.2 -1.8 -1.9
thiol           |  1.9  3.2 -3.7 -2.2  2.5  2.3 -2.3 -6.6 -2.7  0.9 -0.9 -1.3 -5.0 -2.8  3.1  0.6 -2.3 -3.5  1.9  2.4
aliphatic chain | -3.8  1.7 -1.5  0.8 -2.1 -2.1 -3.9  0.4 -0.7 -0.3 -4.1 -0.3 -3.3 -5.6  1.2 -0.1  0.3  1.9 -4.6 -2.0