Table 5 Binding Energies, Ace Values for Docked Complexes based on DINC Server and PatchDock Analysis for Putative Epitopes.
Epitope HLA Allele Binding score (kcal/mol) Patch dock score ACE Selection
FTIGTVTLK HLA-A*68:01 −8.80 8066 178.91 Selected
RLWLCWKCR HLA-A*31:01 −4.80 8916 117.53 Rejected
GTITVEELK HLA-A*11:01 −3.80 8040 78.78 Rejected
ITLCFTLKR HLA-A*11:01 −3.70 8206 −25.88 Selected
ITLCFTLKR HLA-A*68:01 −7.60 8136 184.55 Selected
VFITLCFTL HLA-A*23:01 −4.40 7706 −134.91 Rejected
WLLWPVTLA HLADRB1*04:01 −8.60 9432 −150.96 Rejected
VYQLRARSV HLADRB1*01:01 −6.20 6874 −168.74 Selected
VYQLRARSV HLADRB1*07:01 −6.20 6842 262.74 Selected