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 |