In Silico Approach towards Designing Virtual Oligopeptides for HRSV

Table 1

Molecular interaction of proteins with motavizumab.

Protein residues	Ab residues	Chain name	One-letter code	Peptide
Glycoprotein A
Thr136, Asn135, Val131, Lys132, Thr129, Ile133, Pro126, Thr125, Thr137, Thr139, Met48, Ser44, Thr118, Ser121, Ser117, Ile114, Ser128	Tyr176, Val169, Ala168, Pro167, Phe166, Tyr145, Leu178, Val150, Ser153, Gly42, Pro41, Lys43, Phe98, Ser156, Gly57, Thr160, Ala158, Thr165	H	P, G, K, F, Y, V, S, S, G, A, T, T, F, P, A, V, Y, L	PGKFYVSSGATTFPAVYL
Lys134, Thr52, Ile55, Ile56, Ile59, Val131, Gln127, Pro126, Thr130, Ala63, Ser64	Lys103, Lys53, Tyr49, Leu54, Val58, Ala55, Glu65, Pro40, Gly41, Lys42, Ser60	L	P, G, K, Y, K, L, A, V, S, E, K	PGKYKLAVSEK
Glycoprotein B
Thr73, Ile63, Tyr90, Leu91, Gln93, Ile62, Thr92, Phe61, Ile49, Ser100, His67, Ala39, Tyr31, Pro101, Arg98, Val99, Ile59, Lys32, Glu97, Ile79, Ile60, Ile26, Trp17, Leu33, Leu35, Ile38, Ile24	Ala32, Ser30, Phe98, Thr31, Ser28, Val2, Val102, Thr73, Lys71, Gln1, Ser156, Met34, Asp101, Trp53, Thr191, Gly26, Phe27, Gly157, Gln192, Ala158, Asn55	H	Q, V, G, F, S, S, T, A, M, W, N, K, T, F, D, V, S, G, A, T, Q	QVGFSSTAMWNKTFDVSGATQ
Gln104, Lys103, Ser102, Pro101	Gly57, Ser56	L	S, G	SG
Fusion protein
Leu203, Val207, Thr189, Leu188, Lys191, Val192, Leu195, Lys196, Ile199, Leu204, Val178, Leu181	Ser114, Pro113, Gln79, Asp81, Ser168, Lys169, Pro80, Asp167, Asp170, Asn138, Thr172, Ala112, Ser56, Gly57, Val58	H	S, G, V, Q, P, D, A, P, S, N, D, S, K, D, T	SGVQPDAPSNDSKDT
Gly519, His514, Asp510, Phe483, Val482, Leu481, Pro480, Ala518, Arg507, Leu503, Asn500, Asp489, Phe488, Ser485	Ala32, Ile97, Thr31, Met34, Met96, Arg94, Pro185, Thr135, Ser186, Phe98, Gln1, Leu159, Ala158, Thr160, Ser161	L	Q, T, A, M, R, M, I, F, T, A, L, T, S, P, S	QTAMRMIFTALTSPS
Matrix protein
Pro65, Thr64, Ser63, Glu98	Val169, Leu170, Gln171, Ser172, Lys43	H	K, V, L, Q, S	KVLQS
Thr133, Met134, Leu137, Ile144, Asn138, Ser166, Lys130, Pro139, Thr136, Lys252, Asp142, Met254, Pro253, Glu255, Asp256, Pro65, Lys157, Lys156, Lys66, Thr64, Ile159, Tyr229, Pro161, Lys232	Leu201, Ser202, Gln199, His198, Val110, Tyr140, Gly200, Glu143, Lys145, Leu11, Ser14, Val15, Gln160, Ser26, Thr109, Ser24, Ser9, Pro8, Thr10, Gly100	L	P, S, T, L, S, V, S, S, G, T, V, Y, E, K, H, E, G, L, S	PSTLSVSSGTVYEKHEGLS
Small hydrophobic protein
Ile34, Ile38, Ser35, Ala39, Ile36, Met1, Thr4, Asn3, Glu2, Ile32, Ile33, Leu30, Ile27	Pro167, Val169, Ala168, Leu170, Tyr176, Phe146, Pro84, Thr87, Val111, Pro41, Gly42	H	P, G, P, T, V, F, P, A, V, L, Y	PGPTVFPAVLY
Asn42, Ile38, Val62, Ile31, Ser29, Asn63, Thr64	Gln160, Glu161, Ala144, Lys145, Glu165, Lys103, Glu143, Arg142	L	K, R, E, A, K, Q, E, E	KREAKQEE

Interaction of motavizumab with all proteins resulted in interacting residues from heavy and light chain. These residues were combined and arranged in sequential order and thus peptides were formed.