Method for predicting protein structure from local to global on basis of knowledge spectrum

A protein structure and prediction method technology, which is applied in the field of protein structure prediction from local to global based on spectral knowledge, can solve the problems of poor sampling ability and low prediction accuracy in conformational space, and achieve good sampling ability and high prediction accuracy.

Inactive Publication Date: 2016-07-27
ZHEJIANG UNIV OF TECH
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Problems solved by technology

[0006] In order to overcome the disadvantages of weak conformational space sampling ability and low prediction accuracy of existing protein structure prediction methods, the present invention proposes a protein structure based on spectral knowledge from local to global with better conformational space sampling ability and high prediction accuracy method of prediction

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  • Method for predicting protein structure from local to global on basis of knowledge spectrum
  • Method for predicting protein structure from local to global on basis of knowledge spectrum
  • Method for predicting protein structure from local to global on basis of knowledge spectrum

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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 ~ Figure 2 , a local-to-global protein structure prediction method based on spectral knowledge, including the following steps:

[0035] 1) given query sequence information;

[0036] 2) Download the resolution less than from the protein database (PDB) website high-precision protein, where is the distance unit, m, according to the sequence alignment algorithm NW-Align to remove amino acid chains with a sequence similarity greater than 30%, to obtain a non-redundant protein template library;

[0037] 3) According to the multi-feature similarity function:

[0038]

[0039] Compare the score f(i,j) of each residue position of the protein chain in the non-redundant template library relative to the query sequence by seamless threading method, where i is the residue position of the query sequence, and j is the fragment structure; In f(i, j...

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Abstract

The invention discloses a method for predicting a protein structure from local to global on the basis of a knowledge spectrum. The method comprises the following steps: for a query sequence, obtaining a high-quality fragment library through a multi-feature seamless threading method, and obtaining distance spectrum knowledge between residues through statistic consistency analysis on the basis of the fragment library; dividing the query sequence into several segments of structures according to residue information recorded in a distance spectrum; carrying out fragment assembling on each segment of structure to obtain relatively low energy and to ensure that the space distance between adjacent residues approaches to a predicted distance in the distance spectrum; carrying out fragment assembling on the unsegmented structures and calculating the global energy to obtain a metastable-state conformation with low energy and more reasonable structure. The method disclosed in the invention is relatively good in conformation space sampling ability and high in prediction precision.

Description

technical field [0001] The invention relates to the field of bioinformatics and computer application, in particular to a protein structure prediction method based on spectrum knowledge from local to global. Background technique [0002] Protein molecules play a vital role in the process of biological and cellular chemical reactions. Their structural models and bioactive states have important implications for our understanding and cure of many diseases. Only when proteins are folded into a specific three-dimensional structure can they produce their unique biological functions. Therefore, to understand the function of a protein, it is necessary to obtain its three-dimensional structure. [0003] Protein tertiary structure prediction is an important task in bioinformatics. The biggest challenge facing the protein conformation optimization problem is to search the extremely complex protein energy function surface. The protein energy model takes into account the bonding of mo...

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G06F19/16
CPCG16B15/00
Inventor 张贵军俞旭锋周晓根郝小虎王柳静李章维
Owner ZHEJIANG UNIV OF TECH
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