TABLE 1.
PDB code* | Protein | Resolution (Å) | ΔG (kcal/mol) | ΔΔGmut-WT (kcal/mol) | ΔGPro-50 (kcal/mol) | ΔGPro-91 (kcal/mol) | ΔGPro-186 (kcal/mol) |
---|---|---|---|---|---|---|---|
1py6 | bR WT | 1.80 | −95.10 | – | −1.86 | −2.14 | −2.50 |
1pxr | bR P50A | 1.70 | −84.15 | 10.95 | −1.10† | −1.34 | −2.50 |
1q5j | bR P91A | 2.10 | −89.10 | 6.00 | −1.82 | −0.02† | −2.50 |
1q5i | bR P186A | 2.30 | −83.80 | 11.30 | −1.80 | −2.10 | −0.82† |
ΔG values shown correspond to the average of the analysis of FoldX applied separately to chain A and B of the respective structure.
The residue indicated in the respective structure corresponds to Ala.