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Ahmed Doghri

structuregrade

A single confidence color hides weak loops. Parse every residue and the demo structure earns a C, with two residues below pLDDT 50.

structuregrade protein confidence inspection gate
structuregrade working browser demo

Confidence Is Local

A protein model can look finished while a loop is effectively unresolved. One global score also says little about interfaces, domain placement, or atomic clashes.

structuregrade parses PDB coordinates and AlphaFold-style pLDDT values from B-factors, groups atoms into residues, reports confidence bands, and runs an inter-residue clash screen.

Turn Color Into A Gate

The report exposes residue count, chain count, mean confidence, low-confidence residues, clash count, and an explainable grade. It is available through one engine shared by the CLI, API, workbench, and regression tests.

The Demo

The eight-residue fixture receives grade C: mean pLDDT 71.88, two residues at or above 90, two below 50, and no inter-residue clashes.

This is a triage gate, not structural validation. PAE is still required for relative domain placement and interfaces, and experimental evidence remains decisive.

Research Basis

AlphaFold's own confidence guidance treats pLDDT as a per-residue local confidence measure and recommends PAE for relative placement of domains.

Read the AlphaFold confidence guidance.

Tools Used

Python
AlphaFold
PDB
pLDDT
Protein Geometry
Docker
GitHub Actions CI