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

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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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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