Table 3.
Comparison of RMSF values from MD simulations
| S. no. | Residue | RMSF (nm) | ||
|---|---|---|---|---|
| Erwinaze® in apo state | Complex 1 | Complex 2 | ||
| 1 | TYR15 | 0.0905 | 0.1108 | 0.0832 |
| 2 | THR 26 | 0.5626 | 0.4778 | 0.3424 |
| 3 | THR27 | 0.4196 | 0.4855 | 0.3730 |
| 4 | MET121 | 0.1318 | 0.1355 | 0.0938 |
| 5 | TYR165 | 0.0647 | 0.0736 | 0.0677 |
| 6 | THR167 | 0.0616 | 0.0839 | 0.0722 |
| 7 | ASN180 | 0.1866 | 0.2255 | 0.1255 |