Table 10.
Vaccine construct | PDB ID of the HLA alleles | Solution no. | Global energy | Hydrogen bond energy | ACE | Score | Area |
---|---|---|---|---|---|---|---|
VACCINE 1 | 3vcl1 | 28 | 8.99 | 0.0 | − 136.02 | 14,722 | 2001.1 |
1a6a | 82 | 8.82 | − 1.63 | − 284.02 | 14,114 | 2888.6 | |
1h15 | 48 | 4.17 | − 2.06 | − 264.30 | 15,388 | 3810.5 | |
2fse | 9 | − 29.11 | − 2.32 | − 192.83 | 16,506 | 2909.7 | |
TLR4 | 83 | − 19.85 | − 3.35 | − 152.69 | 15,728 | 2531.6 |
The model was refined further using Firedock server.