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. 2020 Feb 3;15(2):e0228265. doi: 10.1371/journal.pone.0228265

Table 2. Protein-peptide interactions along with docking scores and binding residues.

Peptide SVM Score PatchDock Score Global Energy
(kcal/mol)
ACE Binding Residues
EALPHVPIFDR 1.52 9590 -58.29 Tyr62, Ala63, Asn66, Asn70, Ile88, Lys118, Glu123, Met223, Val351, His353, Ala354, Ser355, Ala356, Trp357, Asp358, Tyr360, Lys368, Glu384, Phe391 Arg402, Glu403, Phe512, His513, Ser516, Ser517, Val518, Tyr520, Arg522, Tyr523, Zn701
NLYYSPVASTSLY 1.66 11060 -52.04 Trp59, Tyr62, Asn66, Asn70, Leu81, Lys118, Val119, Gln120, Asp121, Glu123, Arg124, Leu139, Leu140, Tyr213, Met223, Val351, His353, Ser355, Trp357, Lys368, Arg402, Glu403, Phe512, Ser516, Ser517, Val518, Pro519, Phe570
PHVPIF 1.72 6968 -47.47 Trp59, Tyr62, Ile88, Thr92, Lys118, Glu123, Arg124, Tyr360, Arg402, Glu403, Pro519, Arg522
LYYSPVASTSLYY 1.74 10388 -33.24 Trp59, Tyr62, Asn66, Asn70, Lys118, Asp121, Glu123, Arg124, Ser219, Trp220, Ser222, Tyr213, Met223, Ser355, Ala356, Trp357, Tyr360, Glu403, Asn406, Pro407, Ser516, Ser517, Val518, Pro519, Arg522, Phe570, Zn701