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A Protocol for Computer-Based Protein Structure and Function Prediction
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Structural profile matrices for predicting structural properties of proteins.

Nuh Azginoglu1, Zafer Aydin2, Mete Celik3

  • 1Department of Computer Engineering, Nevsehir Haci Bektas Veli University, Nevsehir 50300, Turkey.

Journal of Bioinformatics and Computational Biology
|July 11, 2020
PubMed
Summary
This summary is machine-generated.

New structural profile matrices (SPMs) improve protein 3D structure prediction accuracy. These matrices, derived from various template alignment methods, offer enhanced input for prediction algorithms, boosting performance significantly.

Keywords:
Protein structure predictionsecondary structuresolvent accessibilitystructural profile matrixtorsion angle

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Area of Science:

  • Computational biology
  • Structural bioinformatics

Background:

  • Accurate prediction of protein 3D structure is crucial for understanding biological function.
  • Existing methods for predicting protein structural properties can be further enhanced.

Purpose of the Study:

  • To develop novel structural profile matrices (SPMs) for improved protein secondary structure, solvent accessibility, and torsion angle predictions.
  • To evaluate the efficacy of these SPMs as input for 3D structure prediction algorithms.

Main Methods:

  • Structural templates were identified using eight alignment methods within the LOMETS server, alongside gap affine alignment, ScanProsite, PfamScan, and HHblits.
  • Template contributions were weighted based on similarity to the target, assessed via sequence alignment scores.
  • SPMs were also computed using Homolpro with unweighted BLAST alignments for comparison.

Main Results:

  • Incorporating the developed SPMs into the DSPRED classifier significantly improved prediction accuracy on two challenging benchmarks.
  • SPMs generated using threading methods from the LOMETS server yielded the most accurate predictions.
  • Higher accuracy predictions correlated with increased computational cost for SPM generation.

Conclusions:

  • Novel structural profile matrices (SPMs) enhance protein property prediction accuracy.
  • Weighted template contributions and advanced alignment methods (e.g., LOMETS threading) are key to improved performance.
  • A trade-off exists between prediction accuracy and computational cost.