StaB-ddG
Estimate mutation effects on binding.
Results
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Method & evidence
Predict binding ΔΔG for exact substitutions at a defined multichain interface and compare mutations on a shared kcal/mol scale.
Interpreting results
- This implementation uses negative ΔΔG for predicted destabilization and positive ΔΔG for predicted stabilization.
- Compare mutations evaluated with the same structure, interface definition, sampling settings, and seed policy.
- Treat the values as ranking evidence for mutation review, not as experimental binding free energies.
References
Input requirements & outputs
Input checks
- Multichain PDB structure with explicit interface sides
- 1–16 exact substitutions per structure
- Up to 4 structures per analysis
Expected results
- Binding ΔΔG comparison — Compare predicted effects in kcal/mol across mutations.
- Direction classification — Separate predicted stabilizing and destabilizing changes using the released sign convention.
- Mutation context — Keep the exact substitutions and interface-chain definition next to each value.
