Table 2.
Tabular representation of PROVEAN, SIFT and PolyPhen-2 scores along with Gibb’s free energy and entropy values for studied variants which fall in conserve 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| L39V | −0.84 | Dec. | 0.01 | D | −0.013 | Dec. | −2.77 | Del | 6 | Dis | 0.02 | APF | 0.998 | Pro. D | 5 |
| G38R | −1.14 | Dec. | 0.32 | D | −0.406 | Dec. | −7.17 | Del | 8 | Dis | 0 | APF | 1 | Pro. D | 5 |
| Q23R | −1.26 | Dec. | −0.01 | D | 0.007 | Inc. | −3.18 | Del | 7 | Dis | 0 | APF | 0.018 | Ben | 4 |
| Q23L | −0.01 | Dec. | −0.144 | D | 0.180 | Inc. | −4.76 | Del | 5 | Dis | 0.01 | APF | 0.117 | Ben | 4 |
| N87S | −0.47 | Dec. | −0.05 | D | 0.066 | Inc. | −4.94 | Del | 6 | Dis | 0 | APF | 1 | Pro. D | 4 |
| N87I | 1.44 | Inc. | 0.19 | D | −0.241 | Dec. | −8.91 | Del | 7 | Dis | 0 | APF | 1 | Pro. D | 4 |
| G42S | −0.27 | Dec. | −0.03 | D | 0.032 | Inc. | −5.57 | Del | 7 | Dis | 0.01 | APF | 0.999 | Pro. D | 5 |
| G42D | −1.09 | Dec. | 0.03 | D | −0.038 | Dec. | −6.52 | Del | 6 | Dis | 0 | APF | 0.939 | Pos. D | 5 |
| H44R | −0.86 | Dec. | 0.17 | D | −0.206 | Dec. | −7.40 | Del | 7 | Dis | 0.26 | Tol | 1 | Pro. D | 5 |
| G86S | −2.02 | Dec. | 0.43 | D | −0.541 | Dec. | −5.97 | Del | 8 | Dis | 0 | APF | 1 | Pro. D | 4 |
| G86R | −1.71 | Dec. | 0.97 | S | −1.209 | Dec. | −7.91 | Del | 8 | Dis | 0.03 | APF | 1 | Pro. D | 4 |
| L107V | −1.01 | Dec. | −0.40 | D | 0.499 | Inc. | −2.96 | Del | 6 | Dis | 0.01 | APF | 0.997 | Pro. D | 4 |
| L107F | −0.47 | Dec. | 0.581 | S | −0.726 | Dec. | −3.93 | Del | 8 | Dis | 0 | APF | 1 | Pro. D | 4 |
| A5V | −0.62 | Dec. | 0.95 | S | −1.186 | Dec. | −3.20 | Del | 7 | Dis | 0 | APF | 0.999 | Pro. D | 4 |
| H47R | −0.75 | Dec. | 0.53 | S | −0.663 | Dec. | −7.52 | Del | 7 | Dis | 0 | APF | 1 | Pro. D | 5 |
| A5T | −0.55 | Dec. | 0.39 | D | −0.485 | Dec. | −3.08 | Del | 7 | Dis | 0 | APF | 0.993 | Pro. D | 4 |
| A5S | −0.84 | Dec. | 0.04 | D | −0.045 | Dec. | −2.30 | Neu | 7 | Dis | 0 | APF | 0.393 | Ben | 4 |
| A146T | −0.68 | Dec. | 0.384 | D | −0.48 | Dec. | −3.39 | Del | 7 | Dis | 0 | APF | 1 | Pro. D | 4 |
| G73S | −0.05 | Dec. | 0.036 | D | −0.045 | Dec. | −2.80 | Del | 7 | Dis | 0 | APF | 1 | Pro. D | 4 |
| G73C | 0.07 | Inc. | −0.14 | D | 0.18 | Inc. | −2.78 | Del | 5 | Dis | 0.02 | APF | 0.999 | Pro. D | 4 |
| F46S | −2.78 | Dec. | −0.08 | D | 0.096 | Inc. | −2.70 | Del | 7 | Dis | 0 | APF | 0.749 | Pos. D | 4 |
| F46C | −1.44 | Dec. | 0.26 | D | −0.326 | Dec. | −5.06 | Del | 7 | Dis | 0 | APF | 0.998 | Pro. D | 4 |
| H81R | −1.45 | Dec. | 0.21 | D | −0.265 | Dec. | −7.33 | Del | 7 | Dis | 0 | APF | 1 | Pro. D | 4 |
| I150T | −2.84 | Dec. | −0.22 | D | 0.274 | Inc. | −5.76 | Del | 8 | Dis | 0 | APF | 1 | Pro. D | 2b |
| V119L | −0.43 | Dec. | 0.28 | D | −0.345 | Dec. | −5.55 | Del | 8 | Dis | 0 | APF | 0.97 | Pro. D | 4 |
| A90V | −0.7 | Dec. | 0.33 | D | −0.407 | Dec. | −8.41 | Del | 8 | Dis | 0 | APF | 1 | Pro. D | 4 |
| R116G | −2.02 | Dec. | −0.83 | D | 1.033 | Inc. | −7.50 | Del | 8 | Dis | 0 | APF | 0.999 | Pro. D | 5 |
| R116C | −2.12 | Dec. | −0.61 | D | 0.759 | Inc. | −7.51 | Del | 7 | Dis | 0 | APF | 1 | Pro. D | 5 |
| L85F | −1.03 | Dec. | −0.25 | D | 0.313 | Inc. | −7.87 | Del | 8 | Dis | 0 | APF | 1 | Pro. D | 4 |
| V88A | −3.18 | Dec. | −0.12 | D | 0.154 | Inc. | −4.17 | Del | 8 | Dis | 0 | APF | 1 | Pro. D | 3a |
| I150T | −1.53 | Dec. | 0.396 | D | −0.495 | Dec. | −2.95 | Del | 5 | Dis | 0 | APF | 1 | Pro. D | 4 |
| V149G | −1.13 | Dec. | 0.58 | S | −0.724 | Dec. | −3.88 | Del | 7 | Dis | 0.21 | Tol | 1 | Pro. D | 3a |
| G148D | −0.88 | Dec. | −0.41 | D | 0.51 | Inc. | −6.92 | Del | 9 | Dis | 0 | APF | 1 | Pro. D | 4 |
| N140L | −1.13 | Dec. | −0.15 | D | 0.188 | Inc. | −7.91 | Del | 7 | Dis | 0 | APF | 1 | Pro. D | 4 |
| V149I | −0.73 | Dec. | 0.39 | D | −0.482 | Dec. | −3.83 | Del | 6 | Dis | 0 | APF | 1 | Pro. D | 4 |
| T55R | −1.96 | Dec. | −0.38 | D | 0.476 | Inc. | −3.96 | Del | 0 | Neu | 0 | APF | 0.999 | Pro. D | 3a |
| S135N | −3.18 | Dec. | −0.12 | D | 0.154 | Inc. | −4.17 | Del | 8 | Dis | 0 | APF | 1 | Pro. D | 3a |
| S135T | −2.62 | Dec. | −0.33 | D | 0.414 | Inc. | −6.08 | Del | 7 | Dis | 0 | APF | 1 | Pro. D | 3a |
| L85V | −1.11 | Dec. | 0.043 | D | −0.054 | Dec. | −5.92 | Del | 7 | Dis | 0 | APF | 1 | Pro. D | |
| G17S | 1.67 | Inc. | −0.17 | D | 0.214 | Inc. | −8.30 | Del | 5 | Dis | 0 | APF | 1 | Pro. D | 4 |
| G17C | −0.55 | Dec. | −0.05 | D | 0.064 | Inc. | −0.87 | Neu | 5 | Neu | 0.43 | Tol | 1 | Pro. D | 3a |
| L127S | 0.55 | Inc. | 0.105 | D | −0.132 | Dec. | −5.66 | Del | 5 | Dis | 0.02 | APF | 0.869 | Pos. D | 2b |