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LOMETS:一种用于蛋白质结构预测的局部元线程服务器。

LOMETS: a local meta-threading-server for protein structure prediction.

作者信息

Wu Sitao, Zhang Yang

机构信息

Center for Bioinformatics and Department of Molecular Bioscience, University of Kansas, 2030 Becker Dr, Lawrence, KS 6604, USA.

出版信息

Nucleic Acids Res. 2007;35(10):3375-82. doi: 10.1093/nar/gkm251. Epub 2007 May 3.

Abstract

We developed LOMETS, a local threading meta-server, for quick and automated predictions of protein tertiary structures and spatial constraints. Nine state-of-the-art threading programs are installed and run in a local computer cluster, which ensure the quick generation of initial threading alignments compared with traditional remote-server-based meta-servers. Consensus models are generated from the top predictions of the component-threading servers, which are at least 7% more accurate than the best individual servers based on TM-score at a t-test significance level of 0.1%. Moreover, side-chain and C-alpha (C(alpha)) contacts of 42 and 61% accuracy respectively, as well as long- and short-range distant maps, are automatically constructed from the threading alignments. These data can be easily used as constraints to guide the ab initio procedures such as TASSER for further protein tertiary structure modeling. The LOMETS server is freely available to the academic community at http://zhang.bioinformatics.ku.edu/LOMETS.

摘要

我们开发了局部穿线元服务器LOMETS,用于快速自动预测蛋白质三级结构和空间限制。九个最先进的穿线程序安装并运行在本地计算机集群中,与传统的基于远程服务器的元服务器相比,这确保了初始穿线比对的快速生成。共识模型由组件穿线服务器的顶级预测生成,在0.1%的t检验显著性水平下,其基于TM分数的准确性比最佳单个服务器至少高7%。此外,分别具有42%和61%准确率的侧链和Cα(C(alpha))接触,以及长程和短程距离图,可从穿线比对中自动构建。这些数据可以很容易地用作约束条件,以指导诸如TASSER等从头算程序进行进一步的蛋白质三级结构建模。学术社区可在http://zhang.bioinformatics.ku.edu/LOMETS免费使用LOMETS服务器。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cee0/1904280/d868478b0786/gkm251f1.jpg

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