Table 3.
Substitution | WT_ RSA (%) | MT_RSA (%) | WT_OSP | MT_OSP | WT_DEPTH (Å) | MT_DEPTH (Å) | Predicted ΔΔG | Outcome |
---|---|---|---|---|---|---|---|---|
G67S | 0 | 0 | 0.93 | 0.95 | 8.2 | 7.3 | −0.19 | Reduced stability |
W68R | 13.2 | 7.5 | 0.71 | 0.73 | 5.5 | 5.6 | 0.02 | Increased stability |
G69D | 0 | 0 | 0.92 | 0.94 | 9 | 8.1 | −0.8 | Reduced stability |
R159H | 40.4 | 35.4 | 0.35 | 0.31 | 4 | 3.9 | −0.19 | Reduced stability |
R159H | 21.7 | 13.9 | 0.42 | 0.46 | 4.9 | 4.8 | −1.59 | Reduced stability |
WT_RSA: wild type relative solvent accessibility in percent; MT_RSA: mutant relative solvent accessibility in percent.; RSA is the absolute value of the net change between the occluded packing density-(OSP) of wild type and mutated residue relative to the average OSP values at solvent exposed regions of the protein. WT_DEPTH (Å): wild type depth in angstrom; MT_DEPTH (Å): mutant depth in angstrom. The stability change by Underlined variant in the above table obtained when PDB −2n53 was used as a template.