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Protein structure prediction method based on residue contact information crossover strategy

A protein structure and prediction method technology, applied in the field of protein structure prediction based on residue contact information cross strategy, to achieve the effect of improving prediction accuracy and search efficiency

Active Publication Date: 2019-02-19
ZHEJIANG UNIV OF TECH
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Problems solved by technology

[0006] In order to overcome the shortcomings of the existing protein structure prediction method based on random fragment assembly in terms of efficient conformational space search and prediction accuracy, the present invention provides a protein structure prediction method based on residue contact information crossover strategy that can search in biased conformational space

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  • Protein structure prediction method based on residue contact information crossover strategy
  • Protein structure prediction method based on residue contact information crossover strategy
  • Protein structure prediction method based on residue contact information crossover strategy

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Embodiment Construction

[0034] The present invention will be further described below in conjunction with the accompanying drawings.

[0035] refer to Figure 1 ~ Figure 3 , a protein structure prediction method based on residue contact information intersection strategy, including the following steps:

[0036] 1) Given the input sequence information, use the Robetta server to obtain the fragment library of the sequence;

[0037] 2) Use RaptorX-Contact to predict the contact information of the sequence, and record the residue pairs whose contact probability is greater than 0.6, assuming that the contact probability of N residue pairs meets this condition, and record the contact between the kth residue pair, Contact means Cα-Cα Euclidean distance The exposure probability is denoted as P k , satisfying P k >0.6, k∈{1,...,N}, and record the residue index number i of the kth residue pair k and j k , and satisfy i k k ;

[0038] 3) Initialization: population size NP, according to the input sequence, ...

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Abstract

A protein structure prediction method based on a residue contact information crossover strategy is disclosed. The method comprises the following steps of firstly, using Robetta and RaptorX-Contact toacquire a fragment library and a contact map; secondly, using contact map information so that population individuals dynamically enter into a segment assembling phase and a loop area fine-tuning phase, and using the crossover strategy of a specific test individual and a specific area; and finally, through clustering, acquiring a final prediction result. Through using contact map information, population evolution is dynamically performed, and the crossover strategy of the specific area is used to increase search efficiency and improve prediction precision.

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 intersection strategy. Background technique [0002] Protein is one of the most important macromolecules in all living things, and more than half of the dry weight of a cell is protein. Protein molecules are covalent polypeptide chains formed by the condensation of amino acids end-to-end, but natural protein molecules are not random loose polypeptide chains. Every natural protein has its own unique spatial structure or three-dimensional structure. This three-dimensional structure is usually called the conformation of the protein, that is, the structure of the protein. Protein structures regulate cellular activity in living organisms to keep life alive. Protein molecules embody the remarkable relationship between protein structure and function a...

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G16B15/20
Inventor 张贵军谢腾宇王小奇周晓根郝小虎胡俊
Owner ZHEJIANG UNIV OF TECH
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