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. 2020 Oct 9;21:42. doi: 10.1186/s12868-020-00591-3

Table 9.

Tabular representation of PROVEAN, SIFT and PolyPhen-2 scores along with Gibb’s free energy, entropy values and Ramachandran plot details for studied variants which fall at 94 position of SOD1 protein

Mutation ΔΔG ENCoM (kcal/mol) Stability ΔΔSVib ENCoM (kcal.mol1.K1) Mol flex Provean RI Eff. SIFT Eff Pphen2 Eff. Reg. QM All Atoms Solv Tor
Wild Type 0.93 2.41 −1.29 −0.13 0.58
G94S 0.27 D −0.335 Dec. −5.33 7 Dis 0.05 Tol 0.856 Pos. D 4 2.17 2.68 −0.93 0.28 1.67
G94R 0.25 D −0.315 Dec. −7.22 8 Dis 0 APF 1 Pro. D 4 2.21 2.69 −0.96 0.4 1.67
G94C 0.20 D −0.245 Dec. −8.18 9 Dis 0.05 Tol 1 Pro. D 4 2.32 2.8 −0.91 0.31 1.8
G94N 0.18 D −0.222 Dec. −5.16 8 Dis 0 APF 0.664 Pos. D 4 2.32 2.76 −0.93 0.35 1.79
G94A −0.05 D 0.067 Inc. −5.48 6 Dis 0.04 APF 0.991 Pro. D 4 2.28 2.53 −0.51 −0 1.91
G94V 0.38 D −0.471 Dec. −8.27 8 Dis 0 APF 1 Pro. D 4 2.08 2.68 −0.96 0.35 1.56
Mutation ConSurf Nature No. of res. in favored Reg No. of res. in allowed Reg No. of res. in outlier Reg
Wild Type Con P 286 14 2
G94S Con. P 301 3 0
G94R Con. PB 301 3 0
G94C Con. P 301 3 0
G94N Con. P 301 3 0
G94A Con. NP 299 3 0
G94V Con. NP 303 1 0