BeStSel: a web server for accurate protein secondary structure prediction and fold recognition from the circular dichroism spectra.
BeStSel: a web server for accurate protein secondary structure prediction and fold recognition from the circular dichroism spectra.
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DOI：
10.1093/nar/gky497
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发表时间：
2018-07-02
影响因子：
14.9
通讯作者：
Kardos J
中科院分区：
文献类型：
--
作者：
Micsonai A;Wien F;Bulyáki É;Kun J;Moussong É;Lee YH;Goto Y;Réfrégiers M;Kardos J
圆二色谱(CD)是研究蛋白质二级结构的一种常用方法。然而，几十年来，普遍的观点是，由于β-Sheet的光谱和结构多样性很大，正确估计β-Sheet的含量是具有挑战性的。最近，我们证明了β片层的取向和扭曲可以解释观测到的光谱多样性，并发展了一种新的方法来精确估计二级结构(PNAS112，E3095)。BeStSel网络服务器提供Beta结构选择方法来分析由常规或同步辐射CD设备记录的CD光谱。归一化数据和测量数据都可以作为单个光谱或一系列光谱上传到服务器。BeStSel的创新之处在于，它进行了详细的二级结构分析，提供了八个二级结构组件的信息，包括具有三组不同扭度的平行β结构和反平行β-Sheet。在此基础上，预测蛋白质折叠到Cath蛋白质折叠分类的拓扑/同源水平。该服务器还提供了一个模块，用于针对与蛋白质二级结构词典数据相关的BeStSel二级结构内容来分析存储在PDB中的结构。BeStSel服务器可在http://bestsel.elte.hu.上免费访问
Circular dichroism (CD) spectroscopy is a widely used method to study the protein secondary structure. However, for decades, the general opinion was that the correct estimation of β-sheet content is challenging because of the large spectral and structural diversity of β-sheets. Recently, we showed that the orientation and twisting of β-sheets account for the observed spectral diversity, and developed a new method to estimate accurately the secondary structure (PNAS, 112, E3095). BeStSel web server provides the Beta Structure Selection method to analyze the CD spectra recorded by conventional or synchrotron radiation CD equipment. Both normalized and measured data can be uploaded to the server either as a single spectrum or series of spectra. The originality of BeStSel is that it carries out a detailed secondary structure analysis providing information on eight secondary structure components including parallel-β structure and antiparallel β-sheets with three different groups of twist. Based on these, it predicts the protein fold down to the topology/homology level of the CATH protein fold classification. The server also provides a module to analyze the structures deposited in the PDB for BeStSel secondary structure contents in relation to Dictionary of Secondary Structure of Proteins data. The BeStSel server is freely accessible at http://bestsel.elte.hu.
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