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 |