VASCO

Validation of Archived chemical Shifts through atomic COordinates (VASCO)

VASCO is a method for validating chemical shifts through structural data. PDBe currently holds validation reports for 3000+ entries in the PDB, for which a set of chemical shifts are available from the BMRB. Use the search boxes below to access the reports by either PDB or BMRB entry identifiers.

Enter a PDB entry identifier: View report
or
Enter a BMRB entry identifier: View report

VASCO uses the PDB and BMRB archives and performs a statistical analysis, which takes into account the solvent accessibility of all heavy atoms, the secondary structure information and the reported chemical shift values. VASCO corrects and reports chemical shift referencing inconsistencies, identifies individual chemical shift outliers and provides a Z-score for each deviation from the expected mean value.


You can also download all reports in one file (size 63MB).

References

  • W. Rieping and W.F. Vranken. Validation of Archived chemical Shifts through atomic COordinates (VASCO). Proteins (2010) 78:2482-2489. DOI: 10.1002/prot.22756
  • W.F. Vranken and W. Rieping. Relationship between chemical shift value and accessible surface area for all amino acid atoms. BMC Structural Biology (2009) 9:20. DOI: 10.1186/1472-6807-9-20