Table 4.
Tabular representation of PROVEAN, SIFT and PolyPhen-2 scores along with Gibb’s free energy and entropy values for studied variants which fall in variable domain of SOD1 protein
| Mutation | DDG (Kcal/mol) | Stability | ΔΔG ENCoM kcal/mol | Stability | ΔΔSVib ENCoM (kcal.mol−1.K−1) | Mol flex | Provean | Eff. | RI | Eff. | SIFT | Eff. | Pphen2 | Eff. | Reg. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| E101G | −1.46 | Dec | −0.381 | Destab | 0.476 | Inc | −3.072 | Del | 2 | Dis | 0.18 | Tol | 0.439 | Ben | 4 |
| L145S | −2.75 | Dec | −0.523 | Destab | 0.654 | Inc | −4.146 | Del | 6 | Dis | 0.05 | Tol | 0.999 | Pro d | 4 |
| E22K | −1.14 | Dec | 0.084 | Destab | −0.104 | Dec | −2.154 | Neu | 2 | Neu | 0.32 | Tol | 0.9 | POS D | 4 |
| D97N | −2.41 | Dec | 0.108 | Destab | −0.135 | Dec | −0.31 | Neu | 5 | Neu | 0.44 | Tol | 0 | Ben | 4 |
| L145F | −1.13 | Dec | 0.382 | Destab | −0.478 | Dec | −2.951 | Del | 8 | Dis | 0.06 | Tol | 0.999 | Pro d | 4 |
| G74R | −0.71 | Dec | 1.48 | Stab | −1.85 | Dec | −5.79 | Del | 4 | Dis | 0.06 | Tol | 1 | Pro d | |
| D91A | −2.46 | Dec | −0.148 | Destab | 0.185 | Inc | −2.437 | Neu | 6 | Dis | 0.13 | Tol | 0 | Ben | 3a |
| N20S | −0.39 | Dec | −0.031 | Destab | 0.038 | Inc | −1.081 | Neu | 9 | Neu | 0.4 | Tol | 0.003 | Ben | 4 |