Journal
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
Volume 76, Issue 1, Pages 176-183Publisher
WILEY
DOI: 10.1002/prot.22329
Keywords
artificial neural networks; contact map prediction; protein structure prediction
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Funding
- NIH [GM066049, GM085003.]
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A neural network method (SPINE-2D) is introduced to provide a sequence-based prediction of residue-residue contact maps. This method is built on the success of SPINE in predicting secondary structure, residue solvent accessibility, and backbone torsion angles via large-scale training with overfit protection and a two-layer neural network. SPINE-2D achieved a 10-fold cross-validated accuracy of 47% (+/- 2%) for top L/5 predicted contacts between two residues with sequence separation of six or more and an accuracy of 24 +/- 1% for nonlocal contacts with sequence separation of 24 residues or more. The accuracies of 23% and 26% for nonlocal contact predictions are achieved for two independent datasets of 500 proteins and 82 CASP 7 targets, respectively. A comparison with other methods indicates that SPINE-2D is among the most accurate methods for contact-map prediction. SPINE-2D is available as a webserver at http://sparks.informatics.iupui.edu.
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