Support vector machines for the classification and prediction of β-turn types

被引:66
作者
Cai, YD
Liu, XJ
Xu, XB
Chou, KC
机构
[1] Chinese Acad Sci, Shanghai Res Ctr Biotechnol, Shanghai 200233, Peoples R China
[2] Univ Edinburgh, Inst Cell Anim & Populat Biol, Edinburgh EH9 3JT, Midlothian, Scotland
[3] Univ Wales Coll Cardiff, Dept Comp Sci, Cardiff CF2 3XF, S Glam, Wales
[4] Upjohn Labs, Comp Aided Drug Discovery, Kalamazoo, MI 49001 USA
关键词
beta-turns; beta-turn prediction; conformational prediction;
D O I
10.1002/psc.401
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
The support vector machines (SVMs) method is proposed because it can reflect the sequence-coupling effect for a tetrapeptide in not only a beta-turn or non-beta-turn, but also in different types of beta-turn. The results of the model for 6022 tetrapeptides indicate that the rates of self-consistency for beta-turn types I, I', II, II', VI and VIII and non-beta-turns are 99.92%, 96.8%, 98.02%, 97.75%, 100%, 97.19% and 100%, respectively. Using these training data, the rate of correct prediction by the SVMs for a given protein: rubredoxin (54 residues, 51 tetrapeptides) which includes 12 beta-turn type I tetrapeptides, 1 beta-turn type, II tetrapeptide and 38 non-beta-turns reached 82.4%. The high quality of prediction of the SVMs implies that the formation of different beta-turn types or non-beta-turns is considerably correlated with the sequence of a tetrapeptide. The SVMs can save CPU time and avoid the overfitting problem compared with the neural network method. Copyright (C) 2002 European Peptide Society and John Wiley Sons, Ltd.
引用
收藏
页码:297 / 301
页数:5
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