Table 3.
Average values of root mean square deviation (RMSD), root mean square fluctuation (RMSF), radius of gyration (Rg), solvent accessible surface area (SASA), number of hydrogen bonds (NH-bonds), and NH-bonds between protein and Drug of 3E7C-apo, 3E7C-UAMC-1217 and 3E7C-Dex.
| Parameters | 3E7C-Apo | 3E7C-1217 | 3E7C-Dex |
|---|---|---|---|
| RMSD (nm) | 0.34 ± 0.04 | 0.34 ± 0.07 | 0.35 ± 0.05 |
| RMSF (nm) | 0.15 ± 0.10 | 0.14 ± 0.13 | 0.11 ± 0.10 |
| Rg (nm) | 1.76 ± 0.01 | 1.78 ± 0.01 | 1.76 ± 0.01 |
| SASA (nm2) | 70.54 ± 2.15 | 72.23 ± 2.16 | 72.25 ± 2.04 |
| NH-bonds | 194.86 ± 6.99 | 194.61 ± 7.33 | 198.67 ± 11.05 |
| NH-bonds (protein-drug) | – | 2.06 ± 0.80 | 1.95 ± 0.67 |