Table 2.
Docking scores of the lead epitopes with HLA Class I alleles.
| Amino acid | Balanced | Electrostatic favoured | Hydrophobic-favoured | VdW+Elec |
|---|---|---|---|---|
| HLA-A*:0201 | ||||
| E1 | -1043.3 | -1027.4 | -1764.9 | -128.7 |
| E2 | -651.1 | -743.3 | -1031.6 | -128.5 |
| E3 | -819.1 | -861.2 | -1217.9 | -122.4 |
| E4 | -684.2 | -682.8 | -1054.8 | -103.9 |
| E5 | -628.2 | -630.0 | -892.8 | -154.0 |
| E6 | -547.0 | -579.6 | -727.1 | -124.0 |
| E7 | -633.0 | -638.2 | -901.1 | -143.9 |
| E8 | -651.7 | -711.7 | -1020.6 | -144.5 |
| E9 | -583.9 | -628.1 | -801.1 | -132.0 |
| E10 | -682.1 | -726.5 | -1020.3 | -134.9 |
| E11 | -731.0 | -733.3 | -1172.5 | -92.4 |
| E12 | -762.7 | -748.3 | -1085.8 | -164.1 |
| E13 | -754.2 | -754.3 | -1201.9 | -114.9 |
| E14 | -626.6 | -626.2 | -967.4 | -135.0 |
| E15 | -746.2 | -744.8 | -1234.1 | -154.4 |
| HLA-A*:0301 | ||||
| E1 | -942 | -981.7 | -1607.2 | -143.2 |
| E2 | -641.4 | -675.2 | -993.5 | -126.2 |
| E3 | -718.0 | -695.0 | -1015.3 | -109.4 |
| E4 | -643.1 | -652.8 | -1060.0 | -87.8 |
| E5 | -594.8 | -613.7 | -778.7 | -141.5 |
| E6 | -474.5 | -517.9 | -613.9 | -146.6 |
| E7 | -542.7 | -597.5 | -752.5 | -160.5 |
| E8 | -650.0 | -709.3 | -891.1 | -161.3 |
| E9 | -469.6 | -471.6 | --609.4 | -114.1 |
| E10 | -724.4 | -749.8 | -1014.8 | -151.9 |
| E11 | -655.0 | -660.5 | -1110.0 | -99.8 |
| E12 | -758.1 | -816.5 | -1097.1 | -193.2 |
| E13 | -628.6 | -704.8 | -1010.2 | -144.4 |
| E14 | -605.7 | -660.2 | -828.1 | -163.1 |
| E15 | -713.8 | -769.2 | -1088.4 | -187.4 |
| HLA-B*07:02 | ||||
| E1 | -1106.3 | -1025.0 | -1787.1 | -148.4 |
| E2 | -718.5 | -741.2 | -1083.8 | -146.3 |
| E3 | -761.9 | -751.9 | -1120.2 | -106.5 |
| E4 | -746.5 | -748.2 | -1170.7 | -92.7 |
| E5 | -650.1 | -643.3 | -884.8 | -158.3 |
| E6 | -520.8 | -562.8 | -605.1 | -168.6 |
| E7 | -652.8 | -671.3 | -890.7 | -162.3 |
| E8 | -739.7 | -775.0 | -974.0 | -161.1 |
| E9 | -567.5 | -580.3 | -748.6 | -135.5 |
| E10 | -778.7 | -813.2 | -1134.9 | -167.3 |
| E11 | -802.7 | -807.1 | -1217.3 | -99.5 |
| E12 | -789.6 | -836.3 | -1231.6 | -184.7 |
| E13 | -805.8 | -841.4 | -1201.3 | -132.9 |
| E14 | -690.5 | -737.2 | -951.9 | -161.6 |
| E15 | -725.1 | -774.3 | -1119.8 | -192.2 |
| VACCINE-1 | -1346.5 | -1472.6 | -1596.2 | -261.7 |
| VACCINE-2 | -1116.4 | -1218.2 | -1203.9 | -259.8 |