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A protein structure prediction method based on contact constraints between residues

A protein structure and prediction method technology, which is applied in the field of protein structure prediction based on contact constraints between residues, can solve the problems of inaccurate energy function and low prediction accuracy, and achieve the effect of improving prediction accuracy and strong sampling ability

Active Publication Date: 2018-12-25
ZHEJIANG UNIV OF TECH
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Problems solved by technology

[0006] In order to overcome the defects of inaccurate energy function and low prediction accuracy of existing protein structure prediction methods, the present invention provides a protein structure prediction method based on contact constraints between residues with high prediction accuracy

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  • A protein structure prediction method based on contact constraints between residues
  • A protein structure prediction method based on contact constraints between residues
  • A protein structure prediction method based on contact constraints between residues

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Embodiment Construction

[0033] The present invention will be further described below in conjunction with the accompanying drawings.

[0034] refer to figure 1 and figure 2 , a protein structure prediction method based on contact constraints between residues, including the following steps:

[0035] 1) Enter the query sequence, and use RaptorX-Contact ( http: / / raptorx.uchicago.edu / ContactMap ) to predict the inter-residue distance contact information of the query sequence;

[0036] 2) Set the initial population size NP, the maximum number of iterations Gen, the crossover probability CR, and the number of fragment assemblies N, input the query sequence, fragment library, and contact information between residues, and the number of iterations g=0;

[0037] 3) Use the method of tabu search to initialize the population, for each conformation C in the population i Do the following operations, where i∈[1,NP] is the conformation index value in the population, the process is as follows:

[0038] 6.1) Fo...

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Abstract

A method for predicting protein structure based on contact constraints between residues comprises the following steps: firstly, the distance contact information between residues of a RaptorX-Contact prediction query sequence is used for constructing a fragment library; secondly, the population conformation is initialized by a tabu search method, and the evaluation function based on the contact constraints between residues is established, and the cross-mutation strategy is designed; finally, the population is updated according to the distance constraint score between residues, which can effectively improve the sampling ability and search efficiency of the algorithm, and then the conformation with more compact structure and lower energy can be obtained. The invention provides a protein structure prediction method with high prediction accuracy.

Description

technical field [0001] The invention relates to the fields of bioinformatics, intelligent information processing, computer application, and protein tertiary structure prediction, and in particular to a protein structure prediction method based on contact constraints between residues. Background technique [0002] Protein is an important part of life and the bearer of life activities. The basic unit of protein is amino acid. There are more than 20 common amino acids in nature. Protein is composed of carbon, hydrogen, oxygen, and nitrogen. Generally, protein may also contain phosphorus, sulfur, iron, zinc, copper, boron, manganese, Iodine, molybdenum, etc. Amino acids are composed of central carbon atoms and connected amino groups, carboxyl groups, hydrogen atoms, and side chains of amino acids. After dehydration and condensation, amino acids form peptide bonds, and the amino acids connected by peptide bonds form a long chain, which is protein. [0003] Protein molecules pla...

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Application Information

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IPC IPC(8): G06F19/16
Inventor 张贵军马来发王小奇周晓根胡俊
Owner ZHEJIANG UNIV OF TECH