Table 3.
Mutation impact on protein stability and function.
| Tool | Predicted feature | atpE p.Ile66Val | Rv0678 p.Thr33Ala | ||
|---|---|---|---|---|---|
| Result | Interpretation | Result | Interpretation | ||
| SDM2 | Change in protein stability (ΔΔG) | − 0.35 | Reduced stability | − 0.08 | Reduced stability |
| mCSM-Stability | Change in protein stability (ΔΔG) | − 0.87 | Destabilizing | − 1.07 | Destabilizing |
| DUET | Change in protein stability (ΔΔG) | − 0.59 | Destabilizing | − 0.92 | Destabilizing |
| DynaMut2 | Change in protein stability (ΔΔG) | − 1.24 | Destabilizing | − 0.74 | Destabilizing |
| mCSM-PPI2 | Protein–Protein affinity change (ΔΔG) | 0.011 | Increasing affinity | − 0.30 | Decreasing affinity |
| SNAP2 | Functional effect (score) | 22 | Intermediate | − 33 | Neutral |
| ConSurf | Evolutionary conservation (score) | − 1.22 | Conserved | − 0.10 | Average |
| SUSPECT-BDQ | BDQ phenotype prediction (log fold affinity change) | − 0.46 | Resistant | NA | NA |
| mCSM-DNA | Protein-DNA affinity change (ΔΔG) | NA | NA | − 1.35 | Destabilizing |
| Grantham’s distance | Amino acid interchangeability | 29 | Low, similar amino acids | 58 | Intermediate |
BDQ bedaquiline.