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OPAAS: a web server for optimal permuted and other alternative alignments of protein structures

机译:OPAAS:用于优化排列和其他蛋白质结构比对的网络服务器

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摘要

The large number of experimentally determined protein 3D structures is a rich resource for studying protein function and evolution, and protein structure comparison (PSC) is a key method for such studies. When comparing two protein structures, almost all currently available PSC servers report a single and sequential (i.e. topological) alignment, whereas the existence of good alternative alignments, including those involving permutations (i.e. non-sequential or non-topological alignments), is well known. We have recently developed a novel PSC method that can detect alternative alignments of statistical significance (alignment similarity P-value <10−5), including structural permutations at all levels of complexity. OPAAS, the server of this PSC method freely accessible at our website (), provides an easy-to-read hierarchical layout of output to display detailed information on all of the significant alternative alignments detected. Because these alternative alignments can offer a more complete picture on the structural, evolutionary and functional relationship between two proteins, OPAAS can be used in structural bioinformatics research to gain additional insight that is not readily provided by existing PSC servers.
机译:实验确定的大量蛋白质3D结构是研究蛋白质功能和进化的丰富资源,蛋白质结构比较(PSC)是此类研究的关键方法。当比较两种蛋白质结构时,几乎所有当前可用的PSC服务器都报告单个和顺序(即拓扑)比对,而众所周知,存在良好的替代比对,包括涉及置换的比对(即非顺序或非拓扑比对)。 。我们最近开发了一种新颖的PSC方法,可以检测具有统计意义的替代比对(比对相似度P值<10 -5 ),包括复杂性所有级别的结构排列。可在我们的网站()上免费访问这种PSC方法的服务器OPAAS,它提供了易于阅读的输出层次结构,以显示有关检测到的所有重要替代比对的详细信息。由于这些替代比对可以提供有关两种蛋白质之间的结构,进化和功能关系的更完整信息,因此OPAAS可以用于结构生物信息学研究中,以获取现有PSC服务器不容易提供的其他见解。

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