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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
Keep explicit protons from the input structure
Protonate all output structure atoms
Use cached ligand .mol2 files from previous runs
Configure input settings on the left, then click "Run"
