Table 3.
The average values of different parameters, RMSD, Rg, RMSF, and SASA.
S.No | Complex | Average RMSF (nm) | Average RMSD (nm) | Average Rg (nm) | Average SASA (nm2) | Interaction Energy (kJ/mol) |
---|---|---|---|---|---|---|
1 | Native Mpro | 0.09 ± 0.02 | 0.18 ± 0.03 | 1.8 ± 0.05 | – | – |
2 | Reference (XX7)-Mpro | 0.10 ± 0.03 | 0.17 ± 0.02 | 1.8 ± 0.08 | 149.2 ± 2.1 | −137.521 |
3 | (L1)ZINC03831201-Mpro | 0.09 ± 0.03 | 0.17 ± 0.02 | 1.8 ± 0.07 | 150.6 ± 2.0 | −120.569 |
4 | (L2)ZINC08101052-Mpro | 0.09 ± 0.03 | 0.16 ± 0.01 | 1.8 ± 0.07 | 151.5 ± 2.0 | −164.464 |
5 | (L3)ZINC01482077-Mpro | 0.11 ± 0.04 | 0.19 ± 0.03 | 1.9 ± 0.06 | 152.1 ± 2.2 | −168.923 |
6 | (L4)ZINC03830817-mpro | 0.10 ± 0.04 | 0.16 ± 0.01 | 1.8 ± 0.08 | 150.4 ± 2.2 | −158.354 |