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SuperLooper——一个用于球状蛋白和膜蛋白中环结构建模的预测服务器。

SuperLooper--a prediction server for the modeling of loops in globular and membrane proteins.

作者信息

Hildebrand Peter W, Goede Andrean, Bauer Raphael A, Gruening Bjoern, Ismer Jochen, Michalsky Elke, Preissner Robert

机构信息

Institute of Medical Physics and Biophysics, Charité, University of Medicine, Berlin, Germany.

出版信息

Nucleic Acids Res. 2009 Jul;37(Web Server issue):W571-4. doi: 10.1093/nar/gkp338. Epub 2009 May 8.

DOI:10.1093/nar/gkp338
PMID:19429894
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2703960/
Abstract

SuperLooper provides the first online interface for the automatic, quick and interactive search and placement of loops in proteins (LIP). A database containing half a billion segments of water-soluble proteins with lengths up to 35 residues can be screened for candidate loops. A specified database containing 180,000 membrane loops in proteins (LIMP) can be searched, alternatively. Loop candidates are scored based on sequence criteria and the root mean square deviation (RMSD) of the stem atoms. Searching LIP, the average global RMSD of the respective top-ranked loops to the original loops is benchmarked to be <2 A, for loops up to six residues or <3 A for loops shorter than 10 residues. Other suitable conformations may be selected and directly visualized on the web server from a top-50 list. For user guidance, the sequence homology between the template and the original sequence, proline or glycine exchanges or close contacts between a loop candidate and the remainder of the protein are denoted. For membrane proteins, the expansions of the lipid bilayer are automatically modeled using the TMDET algorithm. This allows the user to select the optimal membrane protein loop concerning its relative orientation to the lipid bilayer. The server is online since October 2007 and can be freely accessed at URL: http://bioinformatics.charite.de/superlooper/.

摘要

SuperLooper提供了首个用于在蛋白质中自动、快速且交互式地搜索和放置环(LIP)的在线界面。可以在一个包含长达35个残基的水溶性蛋白质的5亿个片段的数据库中筛选候选环。也可以搜索一个包含18万个蛋白质中环(LIMP)的特定数据库。环候选物根据序列标准和茎原子的均方根偏差(RMSD)进行评分。在搜索LIP时,对于多达六个残基的环,各自排名靠前的环与原始环的平均全局RMSD基准设定为<2 Å,对于短于10个残基的环为<3 Å。可以从排名前50的列表中选择其他合适的构象并在网络服务器上直接可视化。为了给用户提供指导,会标注模板与原始序列之间的序列同源性、脯氨酸或甘氨酸的交换情况,或者环候选物与蛋白质其余部分之间的紧密接触情况。对于膜蛋白,使用TMDET算法自动对脂质双层的扩展进行建模。这允许用户选择关于其与脂质双层相对取向的最佳膜蛋白环。该服务器自2007年10月起上线,可通过以下网址免费访问:http://bioinformatics.charite.de/superlooper/ 。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6987/2703960/2007d6db1182/gkp338f1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6987/2703960/2007d6db1182/gkp338f1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6987/2703960/2007d6db1182/gkp338f1.jpg

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