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Bioinformatics Advance Access originally published online on April 4, 2006
Bioinformatics 2006 22(11):1397-1398; doi:10.1093/bioinformatics/btl128
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© The Author 2006. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oxfordjournals.org

NQ-Flipper: validation and correction of asparagine/glutamine amide rotamers in protein crystal structures

Christian X. Weichenberger and Manfred J. Sippl *

Center of Applied Molecular Engineering, University of Salzburg Jakob Haringerstrasse 5, 5020 Salzburg, Austria

*To whom correspondence should be addressed.

Summary: The error rate of asparagine (Asn) and glutamine (Gln) amide rotamers in protein crystal structures is in the order of 20% and as a consequence the current Protein Database (PDB) contains approximately half a million incorrect Asn and Gln side-chain rotamers. Here we present NQ-Flipper, a web service based on knowledge-based potentials of mean force to automatically detect and correct erroneous rotamers. We achieve excellent agreement with expert curated data.

Availability: The program is accessible freely as a web service at http://flipper.services.came.sbg.ac.at

Contact: sippl{at}came.sbg.ac.at

Received on January 12, 2006; revised on March 6, 2006; accepted on March 30, 2006

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This article has been cited by other articles:


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