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. 2021 Sep 2;11:17626. doi: 10.1038/s41598-021-96863-x

Table 10.

Molecular docking results using the PatchDock server.

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.