Introduction

Residue contact map is essential for protein three-dimensional structure determination. But most of the current contact prediction methods based on residue co-evolution suffer from high false-positives as introduced by indirect and transitive contacts (i.e., residues A-B and B-C are in contact, but A-C are not). Built on the work by Feizi et al. (Nat Biotechnol 2013; 31:726-733), which demonstrated a general network model to distinguish direct dependencies by network deconvolution, this study presents a new balanced network deconvolution (BND) algorithm to identify optimized dependency matrix without limit on the eigenvalue range in the applied network systems. The algorithm was used to filter contact predictions of five widely used co-evolution methods. On the test of proteins from three benchmark datasets of the 9th critical assessment of protein structure prediction (CASP9), CASP10, and PSICOV (precise structural contact prediction using sparse inverse covariance estimation) database experiments, the BND can improve the medium- and long-range contact predictions at the L/5 cutoff by 55.59% and 47.68%, respectively, without additional central processing unit cost. The improvement is statistically significant, with a P-value < 5.93 × 10(-3) in the Student's t-test. A further comparison with the ab initio structure predictions in CASPs showed that the usefulness of the current co-evolution-based contact prediction to the three-dimensional structure modeling relies on the number of homologous sequences existing in the sequence databases. BND can be used as a general contact refinement method, which is freely available at: http://www.csbio.sjtu.edu.cn/bioinf/BND/.

Publications

  1. Improving accuracy of protein contact prediction using balanced network deconvolution.
    Cite this
    Sun HP, Huang Y, Wang XF, Zhang Y, Shen HB, 2015-03-01 - Proteins

Credits

  1. Hai-Ping Sun
    Developer

    Institute of Image Processing and Pattern Recognition, Shanghai Jiao Tong University, United States of America

  2. Yan Huang
    Developer

  3. Xiao-Fan Wang
    Developer

  4. Yang Zhang
    Developer

  5. Hong-Bin Shen
    Investigator

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Summary
AccessionBT005700
Tool TypeApplication
Category
PlatformsLinux/Unix
TechnologiesC++
User InterfaceTerminal Command Line
Download Count0
Submitted ByHong-Bin Shen