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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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Formato: | Texto |
Lenguaje: | English |
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BioMed Central
2010
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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/. |
format | Text |
id | pubmed-2920885 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | BioMed Central |
record_format | MEDLINE/PubMed |
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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