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PROPKA 3 — Vecura
PROPKA 3
PROPKA predicts the pKa values of ionizable groups in proteins (v3.0) and protein-ligand complexes (v3.1+) based on the 3D structure using an empirical/heuristic method. It also computes folding free-energy and protein charge profiles as functions of pH.
Upload a target PDB above to choose a chain.
pH
pH Window (min / max / step)
pH
pH
pH
pH Grid (min / max / step)
pH
pH
pH
Show alternative pKa values from coupled titratable groups