MolProbity is a structure validation web service for diagnosing problems in 3D models of proteins, nucleic acids or complexes. It adds and optimizes H atoms (correcting 180° flipped Asn/Gln/His sidechains), and then calculates global and local validation for all-atom contacts (steric clashes, H-bonds & vdW), covalent geometry, and conformation (Ramachandran & rotamers for protein, ribose puckers & suite conformers for RNA). Results are displayed online as 3D graphics and sortable charts.
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View Use Cases
Input: model of a macromolecule (usually a crystal structure) in PDB format (can be fetched by PDB or NDB id)
1. Calculate full structure validation report, as the guide to rebuilding any problem areas, or to evaluate local reliability as a user.
2. Calculate and display all-atom contacts at a molecular interface.