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. 2022 May 12;70(4):501–517. doi: 10.1007/s12026-022-09284-x

Table 7.

The top 10 receptor and ligand residues for the docked MEV and TLR2 molecule with its corresponding binding energy retrieved from the HawkDock software

Ligand molecule Binding energy Receptor molecule Binding energy
B-THR-212  − 6.16 A-SER-91  − 5.29
B-PHE-270  − 4.36 A-TYR-71  − 3.79
B-PHE-147  − 3.86 A-ASN-121  − 3.06
B-ALA-13  − 2.48 A-PRO-96  − 1.68
B-ASN-273  − 1.97 A-SER-98  − 1.07
B-PRO-56  − 1.52 A-ALA-26  − 1.02
B-PRO-75  − 1.52 A-PRO-120  − 0.9
B-GLY-189  − 1.51 A-HIE-43  − 0.75
B-ALA-148  − 1.4 A-ALA-48  − 0.73
B-SER-228  − 1.27 A-GLY-95  − 0.72