Table 1.
Residue | Original | Mutated | Δ Affinity | Δ Stability (solvated) | Total ΔG value (original/mutated) |
---|---|---|---|---|---|
R:16 | SER | ALA | −0.13 | −1.78 | N/A |
R:19 | HIS | TYR | −3.95 | −3.59 | N/A |
R:36 | THR | ALA | −0.22 | 4.91 | N/A |
R:16 R:19 R:36 |
SER HIS THR |
ALA TYR ALA |
−5.85 | −1.19 | −4.333/−33.041 |
N/A, not applicable.