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

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...

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Detalles Bibliográficos
Autores principales: Kountouris, Petros, Hirst, Jonathan D
Formato: Texto
Lenguaje:English
Publicado: BioMed Central 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2920885/
https://www.ncbi.nlm.nih.gov/pubmed/20673368
http://dx.doi.org/10.1186/1471-2105-11-407
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author Kountouris, Petros
Hirst, Jonathan D
author_facet Kountouris, Petros
Hirst, Jonathan D
author_sort Kountouris, Petros
collection PubMed
description 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 β-turns and their types. Our method, called DEBT, is available online at http://comp.chem.nottingham.ac.uk/debt/.
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spelling pubmed-29208852010-08-13 Predicting β-turns and their types using predicted backbone dihedral angles and secondary structures Kountouris, Petros Hirst, Jonathan D BMC Bioinformatics Research Article 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 β-turns and their types. Our method, called DEBT, is available online at http://comp.chem.nottingham.ac.uk/debt/. BioMed Central 2010-07-31 /pmc/articles/PMC2920885/ /pubmed/20673368 http://dx.doi.org/10.1186/1471-2105-11-407 Text en Copyright ©2010 Kountouris and Hirst; licensee BioMed Central Ltd. http://creativecommons.org/licenses/by/2.0 This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Research Article
Kountouris, Petros
Hirst, Jonathan D
Predicting β-turns and their types using predicted backbone dihedral angles and secondary structures
title Predicting β-turns and their types using predicted backbone dihedral angles and secondary structures
title_full Predicting β-turns and their types using predicted backbone dihedral angles and secondary structures
title_fullStr Predicting β-turns and their types using predicted backbone dihedral angles and secondary structures
title_full_unstemmed Predicting β-turns and their types using predicted backbone dihedral angles and secondary structures
title_short Predicting β-turns and their types using predicted backbone dihedral angles and secondary structures
title_sort predicting β-turns and their types using predicted backbone dihedral angles and secondary structures
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2920885/
https://www.ncbi.nlm.nih.gov/pubmed/20673368
http://dx.doi.org/10.1186/1471-2105-11-407
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