Predicting β-turns and their types using predicted backbone dihedral angles and secondary structures

Kountouris, Peter and Hirst, Jonathan D. (2010) Predicting β-turns and their types using predicted backbone dihedral angles and secondary structures. BMC Bioinformatics, 11 . p. 407. ISSN 1471-2105

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Official URL: http://dx.doi.org/10.1186/1471-2105-11-407

Abstract

Background: β-turns are secondary structure elements usually classified as coil. Their prediction is important, because of their role in protein folding and their frequent occurrence in protein chains. Results: We have developed a novel method that predicts β-turns and their types using information from multiple sequence alignments, predicted secondary structures and, for the first time, predicted dihedral angles. Our method uses support vector machines, a supervised classification technique, and is trained and tested on three established datasets of 426, 547 and 823 protein chains. We achieve a Matthews correlation coefficient of up to 0.49, when predicting the location of β-turns, the highest reported value to date. Moreover, the additional dihedral information improves the prediction of β-turn types I, II, IV, VIII and “non-specific”, achieving correlation coefficients up to 0.39, 0.33, 0.27, 0.14 and 0.38, respectively. Our results are more accurate than other methods. Conclusions: We have created an accurate predictor of b-turns and their types. Our method, called DEBT, is available online at http://comp.chem.nottingham.ac.uk/debt/.

Item Type:Article
Schools/Departments:University of Nottingham UK Campus > Faculty of Science > School of Chemistry
ID Code:1426
Deposited By:Hirst, Professor Jonathan D
Deposited On:26 Jan 2011 09:31
Last Modified:26 Aug 2014 18:03

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