Table 2.
Parameters of post-molecular dynamic analysis
| Parameter | APO | S1516 (6aa) | S785 (11aa) | S578 (15aa) | S1603 (18aa) | S488 (24aa) | P578 (15aa) | |
|---|---|---|---|---|---|---|---|---|
| Receptor RMSD | AVG | 3.18 | 3.92 | 2.87 | 3.00 | 3.16 | 2.99 | 3.47 |
| MIN | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| MAX | 4.69 | 5.84 | 4.45 | 5.01 | 5.49 | 3.75 | 4.66 | |
| Peptide RMSD | AVG | - | 4.66 | 3.16 | 3.90 | 6.82 | 3.61 | 4.44 |
| MIN | - | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | |
| MAX | - | 6.20 | 4.50 | 5.76 | 8.43 | 5.46 | 5.70 | |
| Receptor RMSF | AVG | 1.74 | 1.79 | 1.47 | 1.41 | 1.90 | 1.41 | 1.57 |
| MIN | 0.65 | 0.67 | 0.52 | 0.56 | 0.67 | 0.52 | 0.61 | |
| MAX | 9.18 | 9.14 | 6.46 | 8.17 | 7.68 | 5.18 | 7.03 | |
| ROG | AVG | 20.66 | 20.68 | 19.99 | 20.29 | 20.12 | 20.17 | 21.36 |
| MIN | 19.51 | 19.54 | 19.48 | 19.53 | 19.34 | 19.52 | 19.58 | |
| MAX | 21.43 | 21.81 | 21.11 | 21.42 | 21.67 | 20.77 | 27.50 |