doi: 10.1093/bioinformatics/btl128.
Epub 2006 Apr 4.
NQ-Flipper: validation and correction of asparagine/glutamine amide rotamers in protein crystal structures
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- PMID: 16595557
- DOI: 10.1093/bioinformatics/btl128
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NQ-Flipper: validation and correction of asparagine/glutamine amide rotamers in protein crystal structures
Bioinformatics.
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Abstract
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.
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