Bayesian protein sequence and structure alignment

Christopher J. Fallaize, Peter J. Green, Kanti V. Mardia and Stuart Barber

Journal of the Royal Statistical Society Series C, 2020, vol. 69, issue 2, 301-325

Abstract: The structure of a protein is crucial in determining its functionality and is much more conserved than sequence during evolution. A key task in structural biology is to compare protein structures to determine evolutionary relationships, to estimate the function of newly discovered structures and to predict unknown structures. We propose a Bayesian method for protein structure alignment, with the prior on alignments based on functions which penalize ‘gaps’ in the aligned sequences. We show how a broad class of penalty functions fits into this framework, and how the resulting posterior distribution can be efficiently sampled. A commonly used gap penalty function is shown to be a special case, and we propose a new penalty function which alleviates an undesirable feature of the commonly used penalty. We illustrate our method on benchmark data sets and find that it competes well with popular tools from computational biology. Our method has the benefit of being able potentially to explore multiple competing alignments and to quantify their merits probabilistically. The framework naturally enables further information such as amino acid sequence to be included and could be adapted to other situations such as flexible proteins or domain swaps.

Date: 2020
References: Add references at CitEc
Citations:

Downloads: (external link)
https://doi.org/10.1111/rssc.12394

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:bla:jorssc:v:69:y:2020:i:2:p:301-325

Ordering information: This journal article can be ordered from
http://ordering.onli ... 1111/(ISSN)1467-9876

Access Statistics for this article

Journal of the Royal Statistical Society Series C is currently edited by R. Chandler and P. W. F. Smith

More articles in Journal of the Royal Statistical Society Series C from Royal Statistical Society Contact information at EDIRC.
Bibliographic data for series maintained by Wiley Content Delivery ().