Table 1: Docking results and values for each conformation studied.

ConformationsFree energy of binding (kcal/mol)Predicted inhibition constant, (uM)Ligand efficiencyHydrogen bondingResidues

1−5.44103.69−0.361LEU76
2−5.9444.45−0.4No
3−5.8452.24−0.391ARG69
4−5.44103.62−0.361LEU76
5−5.9444.44−0.4No
6−5.8452.06−0.391ARG69
7−5.44103.67−0.361LEU76
8−5.8452.12−0.391ARG69
9−5.44103.32−0.361LEU76
10−5.8452.12−0.391ARG69