物理化学学报 >> 2004, Vol. 20 >> Issue (05): 498-502.doi: 10.3866/PKU.WHXB20040511

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依据氨基酸残基的相关性预测蛋白质的结构类型

王树青;刘红;杜奇石;魏冬青   

  1. 天津师范大学生物信息与药物开发研究所,天津　300074;辽宁大学物理系,沈阳　110036
  • 收稿日期:2003-10-17 修回日期:2004-01-02 发布日期:2004-05-15
  • 通讯作者: 杜奇石 E-mail:du70_45@hotmail.com

Prediction of Protein Structural Classes Based on Correlations of Amino Acid Residues

Wang Shu-Qing;Liu Hong;Du Qi-Shi;Wei Dong-Qing   

  1. Institute of Bioinformatics and Drug Discovery, Tianjin Normal University, Tianjin　300074;Department of Physics, Liaoning University, Shenyang　110036
  • Received:2003-10-17 Revised:2004-01-02 Published:2004-05-15
  • Contact: Du Qi-Shi E-mail:du70_45@hotmail.com

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摘要： 作为蛋白质的建筑构件,各种类型的蛋白质的20种氨基酸残基之间存在着特定的相互关联,反映了氨基酸残基之间的制约性,并有深刻的物理和化学的内在因素.某些氨基酸残基对之间的相关系数可以作为一种类型的蛋白质区别于其它类型蛋白质的特征,用于蛋白质结构类型的预测.研究了4种类型的蛋白质204个样品的氨基酸残基对的相关性系数,找出了可作为蛋白质结构类型特征的氨基酸残基的相关对,并用于蛋白质结构类型的预测,对于α型、β型、α/β型和α＋β型蛋白质的204个蛋白质样品的交叉测试,正确率分别为94％、89％、79％和89％,平均为88％,高于简单距离法和欧几里德距离法.

关键词: 氨基酸相关性, 蛋白质结构预测, 生物信息学

Abstract: The correlation relationships among amino acid residues in protein structures are studied. Some residue pairs have larger correlation coefficients and they are not independent of protein structural classes. The correlation relationships of amino acid residues are the earmarks of protein structural classes and have special physical and chemical causes. These correlation relationships are used in the predictions of protein structures for α,β,α/β, and α＋β protein classes, in total 204 proteins. The prediction accuracy are 94％ (α-proteins),89％ (β-proteins),79％ ((α/β)-proteins) and 89％ ((α＋β)-proteins),higher than the results of the simple distance method and the Euclidean distance method.

Key words: Correlation of amino acids, Prediction of protein structure, 　Bioinformatics