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Nucleic Acids Research 2005 33(Web Server Issue):W99-W104; doi:10.1093/nar/gki421
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© The Author 2005. Published by Oxford University Press. All rights reserved
The online version of this article has been published under an open access model. Users are entitled to use, reproduce, disseminate, or display the open access version of this article for non-commercial purposes provided that: the original authorship is properly and fully attributed; the Journal and Oxford University Press are attributed as the original place of publication with the correct citation details given; if an article is subsequently reproduced or disseminated not in its entirety but only in part or as a derivative work this must be clearly indicated. For commercial re-use, please contact journals.permissions{at}oupjournals.org

Article

WebProAnalyst: an interactive tool for analysis of quantitative structure–activity relationships in protein families

Vladimir A. Ivanisenko1,2,*, Alexey M. Eroshkin3 and Nickolay A. Kolchanov1

1Institute of Cytology and Genetics SBRAS Lavrentyev avenue 10, Novosibirsk, 630090, Russia 2The Novosibirsk State University, Novosibirsk 630090, Russia 3State Research Center of Virology and Biotechnology VECTOR Koltsovo, Novosibirsk Region, 630559, Russia

*To whom correspondence should be addressed. Tel: +7 3832332971; Fax: +7 3832331278; Email: salix{at}bionet.nsc.ru

Received February 14, 2005. Revised March 22, 2005. Accepted March 22, 2005.

WebProAnalyst is a web-accessible analysis tool (http://wwwmgs.bionet.nsc.ru/mgs/programs/panalyst/) designed for scanning quantitative structure–activity relationships in protein families. The tool allows users to search correlations between protein activity and physicochemical characteristics (i.e. hydrophobicity or alpha-helical amphipathicity) in queried sequences. WebProAnalyst uses aligned amino acid sequences and data on protein activity (pK, Km, ED50, among others). WebProAnalyst implements methods of the known ProAnalyst package, including the multiple linear regression analysis and the sequence–activity correlation coefficient. In addition, WebProAnalyst incorporates a method based on neural networks. The WebProAnalyst reports a list of sites in protein family, the regression analysis parameters (including correlation values) for the relationships between the amino acid physicochemical characteristics in the site and the protein activity values. WebProAnalyst is useful in search of the amino acid residues that are important for protein function/activity. Furthermore, WebProAnalyst may be helpful in designing the protein-engineering experiments.


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