When homologous sequences meet structural decoys: Accurate contact prediction by tFold in CASP14-(tFold for CASP14 contact prediction)

Proteins. 2021 Dec;89(12):1901-1910. doi: 10.1002/prot.26232. Epub 2021 Sep 23.

Abstract

In this paper, we report our tFold framework's performance on the inter-residue contact prediction task in the 14th Critical Assessment of protein Structure Prediction (CASP14). Our tFold framework seamlessly combines both homologous sequences and structural decoys under an ultra-deep network architecture. Squeeze-excitation and axial attention mechanisms are employed to effectively capture inter-residue interactions. In CASP14, our best predictor achieves 41.78% in the averaged top-L precision for long-range contacts for all the 22 free-modeling (FM) targets, and ranked 1st among all the 60 participating teams. The tFold web server is now freely available at: https://drug.ai.tencent.com/console/en/tfold.

Keywords: CASP14; contact prediction; deep convolutional residual neural network; protein folding.

MeSH terms

  • Computational Biology
  • Models, Molecular
  • Neural Networks, Computer*
  • Protein Folding*
  • Proteins* / chemistry
  • Proteins* / metabolism
  • Reproducibility of Results
  • Sequence Analysis, Protein
  • Software*
  • Structural Homology, Protein*

Substances

  • Proteins