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Binding energy decomposition analysis averaged over all peptide positions. A) The data from the MM/GBSA analysis of the six peptides displaying the canonical Gln at P1 position obtained through TAILS analysis indicate the relative importance of the amino acid residues at the P1, P2 and P4 positions. B) Results from the 51 non-canonical peptides obtained, showing similar per-residue energy decompositions. Results are given in kcal/mol.
