Table 5. Average, Maximum, and Minimum RMSD, RMSF, Radius of Gyration, and Hydrogen Bond Analysis Values of the Protein–Ligand Complexes.
| parameter | Apo EthR-protein | R2-EthR complex | R7-EthR complex | linezolid-EthR complex |
|---|---|---|---|---|
| protein Cα atoms RMSD (Å) | ||||
| average | 2.48 | 2.98 | 2.55 | 2.90 |
| maximum | 3.38 | 3.99 | 3.83 | 3.65 |
| minimum | 0.99 | 1.02 | 1.23 | 0.99 |
| protein C-α atoms RMSF (Å) | ||||
| average | 1.36 | 1.22 | 1.30 | 1.29 |
| maximum | 6.13 | 5.42 | 5.66 | 5.75 |
| minimum | 0.63 | 0.51 | 0.33 | 0.56 |
| radius of gyration (RGyr) (Å) | ||||
| average | 20.72 | 20.72 | 20.69 | 20.60 |
| maximum | 20.89 | 20.91 | 20.91 | 20.79 |
| minimum | 20.48 | 20.44 | 20.39 | 20.40 |
| hydrogen bond analysis | ||||
| average | 1.44 | 1.06 | 0.84 | |
| maximum | 5.00 | 4.00 | 3.00 | |
| minimum | 1.00 | 1.00 | 1.00 | |