Peptide-Protein Interaction Studies of Antimicrobial Peptides Targeting Middle East Respiratory Syndrome Coronavirus Spike Protein: An In Silico Approach

Table 5

Binding mode of each peptide-protein complex using Protein Interaction Calculator (PIC) server.

APD3 ID	Hydrophobic interactions	Main chain Hydrogen bond interactions	Side chain Hydrogen bond interactions	Ionic interactions	Aromatic-aromatic interactions	Aromatic-sulphur interactions
P9	Tyr64, Ile69, Tyr809, Ala920, Tyr928, Val929, Tyr932, Ala1037	Asn812, Ser919, Asp922, Asn1042, Asn812, Ser1038	Tyr932	Glu1039	Tyr928, Tyr64	Cys925
AP00549	Ala1049, Pro59, Tyr64, Tyr928, Val929, Ala930, Ala920, Ile69, Tyr71	Ala1049, Gly61	Gln60, Gln1056, Cys925	Arg1057, Arg62, Asp922	Tyr928, Tyr71	-
AP00225	Val790, Tyr1142, Phe764, Leu731, Ile768, Pro1143, Pro767, Val770	Pro730	Thr791, Gln1119, Tyr1141, Leu729, Asn765, Leu731, His1146, Asn765, His766	Gln792, Ser734	Glu1017	Tyr1142
AP00180	Ala1007, Val790, Leu731, Pro767, Ile768, Tyr1142	Gly789, Pro730	Gln1119, Tyr1142, Leu731, Leu729, Pro730, Asn765 Aln1007	Glu1017, Asp740	-	Cys1142
AP00744	Leu1200, Pro767, Val1168, Ile1180, Leu780, Phe778, Pro1143, Val983, Ile985	Ala1206	Cys1164, Val770, Tyr1153, Ser781	Asp771	Tyr1142	-
HR2P	Tyr1153, Ile1165, Val1168, Ile1180, Val1181, Leu780, Val770, Pro767, Pro1143, Tyr1142, Val790, Leu729, Pro730, Leu731	-	Asn1169	His1146, His766	-	-