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AlignScape,使用自组织映射显示序列相似性。

AlignScape, displaying sequence similarity using self-organizing maps.

作者信息

Filella-Merce Isaac, Mallet Vincent, Durand Eric, Nilges Michael, Bouvier Guillaume, Pellarin Riccardo

机构信息

Life Sciences Department, Electronic and Atomic Protein Modeling Group (EAPM), Barcelona Supercomputing Center (BSC), Barcelona, Spain.

Institut Pasteur, Université Paris Cité, CNRS UMR 3528, Structural Bioinformatics Unit, Paris, France.

出版信息

Front Bioinform. 2024 Jan 26;4:1321508. doi: 10.3389/fbinf.2024.1321508. eCollection 2024.

Abstract

The current richness of sequence data needs efficient methodologies to display and analyze the complexity of the information in a compact and readable manner. Traditionally, phylogenetic trees and sequence similarity networks have been used to display and analyze sequences of protein families. These methods aim to shed light on key computational biology problems such as sequence classification and functional inference. Here, we present a new methodology, AlignScape, based on self-organizing maps. AlignScape is applied to three large families of proteins: the kinases and GPCRs from human, and bacterial T6SS proteins. AlignScape provides a map of the similarity landscape and a tree representation of multiple sequence alignments These representations are useful to display, cluster, and classify sequences as well as identify functional trends. The efficient GPU implementation of AlignScape allows the analysis of large MSAs in a few minutes. Furthermore, we show how the AlignScape analysis of proteins belonging to the T6SS complex can be used to predict coevolving partners.

摘要

当前丰富的序列数据需要高效的方法,以便以紧凑且可读的方式展示和分析信息的复杂性。传统上,系统发育树和序列相似性网络已被用于展示和分析蛋白质家族的序列。这些方法旨在阐明关键的计算生物学问题,如序列分类和功能推断。在此,我们提出一种基于自组织映射的新方法AlignScape。AlignScape应用于三大类蛋白质:人类的激酶和GPCR,以及细菌的T6SS蛋白质。AlignScape提供了相似性景观图和多序列比对的树状表示。这些表示对于展示、聚类和分类序列以及识别功能趋势很有用。AlignScape的高效GPU实现允许在几分钟内分析大型多序列比对。此外,我们展示了如何将属于T6SS复合物的蛋白质的AlignScape分析用于预测共同进化的伙伴。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e3c0/10853471/fac6b89b266f/fbinf-04-1321508-g001.jpg

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