Application of 3D‐Jury, GRDB, and Verify3D in fold recognition

In CASP5, the BioInfo.PL group has used the structure prediction Meta Server and the associated newly developed flexible meta‐predictor, called 3D‐Jury, as the main structure prediction tools. The most important feature of the meta‐predictor is a high (86%) correlation between the reported confidence score and the quality of the selected model. The Gene Relational Database (GRDB) was used to confirm the fold recognition results by selecting distant homologues and subsequent structure prediction with the Meta Server. A fragment‐splicing procedure was performed as a final processing step with large fragments extracted from selected models using model quality control provided by Verify3D. The comparison of submitted models with the native structure conducted after the CASP meeting showed that the GRDB‐supported structure prediction led to a satisfactory template fold selection, whereas the fragment‐splicing procedure must be improved in the future. Proteins 2003;53:418–423. © 2003 Wiley‐Liss, Inc.

[1]  M. Sternberg,et al.  Enhanced genome annotation using structural profiles in the program 3D-PSSM. , 2000, Journal of molecular biology.

[2]  J Lundström,et al.  Pcons: A neural‐network–based consensus predictor that improves fold recognition , 2001, Protein science : a publication of the Protein Society.

[3]  Arne Elofsson,et al.  A study of quality measures for protein threading models , 2001, BMC Bioinformatics.

[4]  Roland L. Dunbrack,et al.  CAFASP3: The third critical assessment of fully automated structure prediction methods , 2003, Proteins.

[5]  Arne Elofsson,et al.  Structure prediction meta server , 2001, Bioinform..

[6]  D Fischer,et al.  Hybrid fold recognition: combining sequence derived properties with evolutionary information. , 1999, Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing.

[7]  D. Eisenberg,et al.  VERIFY3D: assessment of protein models with three-dimensional profiles. , 1997, Methods in enzymology.

[8]  Marcin von Grotthuss,et al.  ORFeus: detection of distant homology using sequence profiles and predicted secondary structure , 2003, Nucleic Acids Res..

[9]  D. Lipman,et al.  A genomic perspective on protein families. , 1997, Science.

[10]  C Kooperberg,et al.  Assembly of protein tertiary structures from fragments with similar local sequences using simulated annealing and Bayesian scoring functions. , 1997, Journal of molecular biology.

[11]  B. Rost,et al.  Critical assessment of methods of protein structure prediction (CASP)—Round 6 , 2005, Proteins.

[12]  I D Kuntz,et al.  Peter Andrew Kollman , 2001, Proteins.

[13]  Arne Elofsson,et al.  3D-Jury: A Simple Approach to Improve Protein Structure Predictions , 2003, Bioinform..

[14]  Daniel Fischer,et al.  3D‐SHOTGUN: A novel, cooperative, fold‐recognition meta‐predictor , 2003, Proteins.

[15]  Leszek Rychlewski ToolShop: prerelease inspections for protein structure prediction servers , 2001, Bioinform..

[16]  T. N. Bhat,et al.  The Protein Data Bank , 2000, Nucleic Acids Res..

[17]  Roland L. Dunbrack,et al.  CAFASP2: The second critical assessment of fully automated structure prediction methods , 2001, Proteins.