Epitope clusters

Drop a zip (or folder) of Protenix/OpenDDE predictions. Complexes are filtered on median ipTM, consensus epitopes are called from the best models, and binders are clustered by the surface they engage — per target and across targets in a common numbering. Nothing is uploaded: the analysis runs in this tab.

Input

Predictions
Drop a .zip of your results folder, or the folder itself.
Expects <complex>/seed_<n>/predictions/…
Choose zip… Choose folder…
Assay signals (optional)
A CSV with Plate, Well, Target, Above cutoff to score predictions against the bench.
Choose CSV…
Thresholds
Median over all of a complex's models, so one lucky sample can't carry a design.
Highest-ipTM models used to call the consensus epitope.
…at least this many of those models.
Heavy-atom distance from any binder atom.
Average-linkage tree cut on epitope overlap. Lower = more, tighter families.
Numbering that cross-target families are reported in.
Falls back to the first two chains if absent.
Epitope calling and clustering run in-browser via WebAssembly (Rust). No file ever leaves this tab.

Made by Tom. Licensed under the GPL v3.0.