MHC-Diff
Explore peptide conformations in an MHC-I groove.
Results
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Method & evidence
Generate a bounded ensemble of peptide C-alpha conformations while preserving the submitted MHC atoms and peptide sequence.
Scope & limitations
- Outputs replace peptide C-alpha coordinates only; peptide backbone and side-chain atoms are not predicted.
- The operation does not predict binding affinity, immunogenicity, T-cell recognition, or MHC-II structures.
- The upstream manuscript is a preprint; interpret the released peptide C-alpha scope accordingly.
Interpreting results
- The ensemble reflects model proposals, not experimental conformational populations.
- Best-of-N benchmark values describe retrospective structural accuracy and do not measure affinity or immunogenicity.
- Use an explicit reconstruction method before any all-atom analysis of the predicted peptide.
References
Input requirements & outputs
Input checks
- Exactly one checksum-bound ASCII PDB Artifact
- MHC chain M with at least 178 standard residues and C-alpha atoms
- Peptide chain P with 8–13 standard residues and one C-alpha atom per residue
- MHC-I only; no MHC-II contract is released
Expected results
- Peptide C-alpha ensemble — Inspect each checksum-verified PDB in the shared Mol* viewer; submitted MHC atoms and peptide identity remain unchanged.
- Execution evidence — Retain input, checkpoint, runtime, parameter, per-file, structure, request, and result digests.
