Table 3.
Molecular docking of control peptides with BF2*2101 and BF2*0401
| Epitope | Receptor | No. Cluster | HADDOCK score | H-bond |
|---|---|---|---|---|
| TPYDINQML | BF2*2101(3BEW) | 1 | −94.30 ± 5.50 | 10 |
| QYDDAAVYKL | 2 | 105.80 ± 6.50 | 8 | |
| NPRAMQALL | 1 | 80.50 ± 2.60 | 5 | |
| VMAPRTVLL | 1 | 95.00 ± 4.40 | 5 | |
| RIIPRHLQL | 2 | 105.80 ± 6.50 | 10 | |
| GILGFVFTL | 1 | 95.80 ± 1.90 | 4 | |
| EEPTVIKKY | 1 | 93.10 ± 2.60 | 9 | |
| RRKWRRWHL | 2 | 114.50 ± 4.20 | 4 | |
| TPYDINQML | BF2*0401(4G42) | 1 | 107.60 ± 7.50 | 9 |
| QYDDAAVYKL | 1 | 119.40 ± 2.70 | 10 | |
| NPRAMQALL | 2 | 91.60 ± 4.70 | 7 | |
| VMAPRTVLL | 1 | 83.00 ± 1.90 | 6 | |
| RIIPRHLQL | 1 | 97.00 ± 2.90 | 11 | |
| GILGFVFTL | 1 | 104.60 ± 1.10 | 6 | |
| EEPTVIKKY | 1 | 101.00 ± 7.10 | 10 | |
| RRKWRRWHL | 1 | 117.70 ± 2.60 | 8 |