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. 2022 May 19;10:e13380. doi: 10.7717/peerj.13380

Table 5. Protein-Peptide docking using web server HPEPDOCK of MHC-I with crystal structure of HLA*A2 and HLA*B7.

Peptide Human allele (PDB ID) Docking score
(kcal mol-1)
For MHC-Class I with HLA-A*02
KIADYNYKL 6O4Y −205.89
VVVLSFELL 6O4Y −157.77
TLDSKTQSL 6O4Y −150.05
GKQGNFKNL 6O4Y −178.48
For MHC-Class I with HLA-B7
KIADYNYKL 3VCL −171.84
VVVLSFELL 3VCL −166.31
TLDSKTQSL 3VCL −136.22
GKQGNFKNL 3VCL −152.84