MOLPROBITY: structure validation and all-atom contact analysis for nucleic acids and their complexes

Nucleic Acids Res. 2004 Jul 1;32(Web Server issue):W615-9. doi: 10.1093/nar/gkh398.


MolProbity is a general-purpose web service offering quality validation for three-dimensional (3D) structures of proteins, nucleic acids and complexes. It provides detailed all-atom contact analysis of any steric problems within the molecules and can calculate and display the H-bond and van der Waals contacts in the interfaces between components. An integral step in the process is the addition and full optimization of all hydrogen atoms, both polar and nonpolar. The results are reported in multiple forms: as overall numeric scores, as lists, as downloadable PDB and graphics files, and most notably as informative, manipulable 3D kinemage graphics shown on-line in the KiNG viewer. This service is available free to all users at

MeSH terms

  • Hydrogen Bonding
  • Internet
  • Macromolecular Substances
  • Models, Molecular
  • Molecular Structure
  • Nucleic Acid Conformation*
  • Nucleic Acids / chemistry
  • Protein Conformation*
  • Proteins / chemistry
  • Reproducibility of Results
  • Software*
  • User-Computer Interface


  • Macromolecular Substances
  • Nucleic Acids
  • Proteins

Associated data

  • PDB/1JJ2