Table 2.

Docking scores of the shortlisted alleles. The docking scores of different alleles and their corresponding interacting residues of all the six epitopes

Epitope sequence and docked allele	Binding energy (kcal/mol)	Interacting residue
YPFMWGGAY with HLA-A*35:01	−8.7	TYR 26, TYR 63, PHE 56, ARG 6, ASP 102, LEU 103, SER 4, HIS 3, SER 2, ASP 30, GLU 264, THR 214, GLN 262
KVFTGVYPF with HLA-A*35:01	−8.3	ASP 59, LYS 58, ASP 29, SER 2, ASP 30, GLU 212, THR 233, TYR 26
FMWGGAYCF with HLA-A*35:01	−9.5	SER 4, TYR 27, ASP 30, LYS 58, TYR 63, TYR 26
VHSMTNAVT with HLA-DRB0101	−7.4	GLU 35, GLN 34, GLU 36, ASP 142, HIS 143, GLU 141, ARG 39
WLKERGASL with HLA-DRB0101	−8.2	GLU 141, ASP 142, GLN 34, THR 83, GLN 34, GLU 36, ASP 142, HIS 143, LYS 111, ARG 140, ARG 146, GLN 149
YKTLVNRPG with HLA-DRB0101	−7.5	THR 83, LYS 111, GLN 34, GLU 36, ARG 39