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The average values of different parameters, RMSD, Rg, RMSF, and SASA
| S. no | Complex | Average RMSD (nm) | Average Rg (nm) | Average SASA (nm2) | Interaction Energy (kJ/mol) |
|---|---|---|---|---|---|
| 1 | Reference(XX7)-3CLPro | 0.13 ± 0.01 | 1.8 ± 0.08 | 149.2 ± 2.1 | − 137.521 |
| 2 | 5035 -3CLPro | 0.14 ± 0.01 | 1.8 ± 0.10 | 149.9 ± 1.8 | − 132.802 |
| 3 | 41,145,803 -3CLPro | 0.16 ± 0.01 | 1.8 ± 0.08 | 150.9 ± 1.7 | − 133.665 |
| 4 | 4,440,516 -3CLPro | 0.14 ± 0.01 | 1.8 ± 0.06 | 148.3 ± 1.8 | − 187.158 |
| 5 | 101,389,938 -3CLPro | 0.15 ± 0.03 | 1.9 ± 0.06 | 151.2 ± 1.9 | − 131.617 |
