A Method for Protein Structure Prediction Based on Assisted Evaluation of Residue Contact Information

A technology of protein structure and prediction method, which is applied in the field of protein structure prediction based on residue contact information assisted evaluation, and can solve the problems of insufficient accuracy to accurately search for near-native regions and lower prediction accuracy

Active Publication Date: 2021-05-18
ZHEJIANG UNIV OF TECH
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Problems solved by technology

However, the accuracy of the current force field model is not enough to accurately search for the near-natural state region, resulting in lower prediction accuracy
[0005] Therefore, the existing energy function-based protein structure prediction methods have shortcomings in terms of efficient conformational space search and prediction accuracy, and need to be improved

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  • A Method for Protein Structure Prediction Based on Assisted Evaluation of Residue Contact Information
  • A Method for Protein Structure Prediction Based on Assisted Evaluation of Residue Contact Information
  • A Method for Protein Structure Prediction Based on Assisted Evaluation of Residue Contact Information

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[0041] The present invention will be further described below in conjunction with the accompanying drawings.

[0042] refer to figure 1 and figure 2 , a protein structure prediction method based on residue contact information assisted evaluation, comprising the following steps:

[0043] 1) Given the input sequence information, use the Robetta server (http: / / robetta.bakerlab.org / ) to obtain the fragment library of the sequence;

[0044] 2) Use RaptorX-Contact (http: / / raptorx.uchicago.edu / ContactMap / ) to predict the contact map of the sequence, and obtain N residue pairs with a contact probability greater than 0.6. Contact means that the Cα-Cα Euclidean distance is less than The exposure probability is denoted as P k , k∈{1,...,N};

[0045] 3) Initialization: population size NP, the maximum number of iterations of the first and second stages of the population are G1 and G2 respectively, according to the input sequence, execute the first and second stages of the Rosetta Abinit...

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Abstract

A protein structure prediction method based on residual contact information assistance evaluation. First, use Robetta and Raptorx‑Contact to obtain a fragment library and contact chart;; Finally, the final prediction results are obtained through clustering.The present invention uses contact diagram information to assist the evaluation of the conformity, and retain the correct topology, thereby improving search efficiency and improving prediction accuracy.The present invention provides a protein structure prediction method based on residual contact information assisted by residual contact information.

Description

technical field [0001] The invention relates to the fields of biological informatics, intelligent optimization and computer application, and in particular to a protein structure prediction method based on residue contact information assisted evaluation. Background technique [0002] Protein structure refers to the spatial structure of protein molecules. Protein is mainly composed of carbon, hydrogen, oxygen, nitrogen and other chemical elements. It is an important class of biological macromolecules. All proteins are polymers formed by connecting 20 different amino acids. After forming proteins, these amino acids are also called for the residue. Protein sizes can range from this lower limit all the way up to thousands of residues. The currently estimated average length of proteins varies in different species, generally about 200-380 residues, and the average length of proteins in eukaryotes is about 55% longer than that in prokaryotes. Larger protein aggregates can be form...

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G16B15/30
Inventor 张贵军谢腾宇孙科周晓根郝小虎王柳静
Owner ZHEJIANG UNIV OF TECH
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