Table 3.
Tabular representation of PROVEAN, SIFT and PolyPhen-2 scores along with Gibb’s free energy and entropy values for studied variants which fall in average 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. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| I114T | −1.82 | Dec | −0.345 | Destab | 0.43 | Inc | −4.85 | Del | 4 | Dis | 0 | APF | 0.999 | Pro. D | 2b |
| I105F | −3.1 | Dec | 0.395 | Destab | −0.49 | Dec | −3.61 | Del | 8 | Dis | 0 | APF | 0.999 | Pro. D | 4 |
| C7T | −0.13 | Dec | 0.114 | Destab | −0.14 | Dec | −7.92 | Del | 4 | Dis | 0.06 | Tol | 1 | Pro. D | 4 |
| C7F | 0.7 | Inc | 1.306 | Stab | −1.63 | Dec | −8.79 | Del | 8 | Dis | 0.01 | APF | 1 | Pro. D | 4 |
| I152T | −3.12 | Dec | −0.177 | Destab | 0.221 | Inc | −3.98 | Del | 4 | Dis | 0.03 | APF | 0.969 | Pro. D | 4 |
| G13R | −1.96 | Dec | 0.171 | Destab | −0.21 | Dec | −2.99 | Del | 6 | Dis | 0.03 | APF | 0.968 | Pro. D | 4 |
| S106L | −2.1 | Dec | −0.153 | Destab | 0.19 | Inc | −4.89 | Del | 5 | Dis | 0.08 | Tol | 0.924 | POS. D | 4 |
| S106L | −2.1 | Dec | −0.153 | Destab | 0.19 | Inc | −4.89 | Del | 2 | Dis | 0.08 | Tol | 0.924 | POS. D | 4 |
| I113T | −2.42 | Dec | −0.209 | Destab | 0.26 | Inc | −4.72 | Del | 6 | Dis | 0 | APF | 1 | Pro. D | 2b |
| I36F | −0.51 | Dec | 0.517 | Stab | −0.65 | Dec | −3.46 | Del | 7 | Dis | 0.02 | APF | 0.998 | Pro. D | 4 |
| F65L | −1.44 | Dec | −0.396 | Destab | 0.495 | Inc | −5.70 | Del | 5 | Dis | 0 | APF | 0.995 | Pro. D | 5 |