tooluniverse-protein-structural-annotation-pdb

Installation
SKILL.md

Protein structural annotation from a PDB

For each residue of a target protein chain, classify whether it sits at a binding interface, in a ligand pocket, is buried vs solvent-exposed, and (optionally) which secondary-structure element it belongs to. This is the annotation track that anchors any DMS heatmap or per-residue interpretation to the protein's actual physical context.


When to use this skill

  • Building a per-residue annotation track for a DMS heatmap
  • Deciding whether a variant of interest is in an interface, in a pocket, or in the core — context that often distinguishes plausible mechanisms
  • Reading SAE feature drops at a position against the protein's known biology (a feature drop at a ligand-pocket residue means something different from a drop at a surface residue)
Installs
55
GitHub Stars
1.5K
First Seen
May 26, 2026
tooluniverse-protein-structural-annotation-pdb — mims-harvard/tooluniverse