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LOGICOIL——卷曲螺旋寡聚状态的多态预测。

LOGICOIL--multi-state prediction of coiled-coil oligomeric state.

机构信息

School of Chemistry, University of Bristol, Bristol BS8 1TS, UK.

出版信息

Bioinformatics. 2013 Jan 1;29(1):69-76. doi: 10.1093/bioinformatics/bts648. Epub 2012 Nov 4.

Abstract

MOTIVATION

The coiled coil is a ubiquitous α-helical protein-structure domain that directs and facilitates protein-protein interactions in a wide variety of biological processes. At the protein-sequence level, the coiled coil is readily recognized via a conspicuous heptad repeat of hydrophobic and polar residues. However, structurally coiled coils are more complicated, existing in a wide range of oligomer states and topologies. As a consequence, predicting these various states from sequence remains an unmet challenge.

RESULTS

This work introduces LOGICOIL, the first algorithm to address the problem of predicting multiple coiled-coil oligomeric states from protein-sequence information alone. By covering >90% of the known coiled-coil structures, LOGICOIL is a net improvement compared with other existing methods, which achieve a predictive coverage of ∼31% of this population. This leap in predictive power offers better opportunities for genome-scale analysis, and analyses of coiled-coil containing protein assemblies.

AVAILABILITY

LOGICOIL is available via a web-interface at http://coiledcoils.chm.bris.ac.uk/LOGICOIL. Source code, training sets and supporting information can be downloaded from the same site.

摘要

动机

卷曲螺旋是一种普遍存在的α-螺旋蛋白质结构域,它在多种生物过程中指导和促进蛋白质-蛋白质相互作用。在蛋白质序列水平上,卷曲螺旋可以通过疏水性和亲水性残基的明显七肽重复轻易识别。然而,结构卷曲螺旋更为复杂,存在广泛的寡聚状态和拓扑结构。因此,从序列预测这些各种状态仍然是一个未满足的挑战。

结果

这项工作引入了 LOGICOIL,这是第一个仅从蛋白质序列信息解决预测多种卷曲螺旋寡聚状态问题的算法。通过覆盖 >90%的已知卷曲螺旋结构,LOGICOIL 与其他现有方法相比是一个显著的改进,后者对该群体的预测覆盖率约为 31%。这种预测能力的飞跃为基因组规模的分析以及卷曲螺旋含有的蛋白质组装体的分析提供了更好的机会。

可用性

LOGICOIL 可通过 http://coiledcoils.chm.bris.ac.uk/LOGICOIL 的网络界面使用。源代码、训练集和支持信息可从同一站点下载。

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