Conformational Biasing (CB)

Computational design of conformation-biasing mutations to alter protein functions

ProteinMPNN Inverse Folding Contrastive Scoring Paper GitHub
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How it works: 1. Input two PDB structures representing different conformational states of the same protein. 2. The tool aligns sequences and generates all possible single-point mutations. 3. ProteinMPNN evaluates each variant for both conformational states. 4. Results show which mutations bias the protein toward one conformation or the other.

Default example: LplA (3A7R vs 1X2G) - the original case from the paper.
State 1 Configuration
4-letter = RCSB PDB; longer = AlphaFold DB
State 2 Configuration
4-letter = RCSB PDB; longer = AlphaFold DB
Leave empty to automatically compute consensus sequence from both structures.
Starting...
Summary
Result Plot
All Variants Results
Mutation ▾ State1 Score ▾ State2 Score ▾ State1 Scaled ▾ State2 Scaled ▾ S1 Bias ▾ S2 Bias ▾ Class ▾

Download full results as CSV with all scored variants and classifications.

Download CSV Results