Parameter-Free Hydrogen-Bond Definition to Classify Protein Secondary Structure.
Parameter-Free Hydrogen-Bond Definition to Classify Protein Secondary Structure.
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DOI：
10.1021/acs.jpcb.6b02571
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发表时间：
2016-04
期刊：
影响因子：
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通讯作者：
Hasti Haghighi;J. Higham;Richard H. Henchman
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文献类型：
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作者：
Hasti Haghighi;J. Higham;Richard H. Henchman
DSSP是最常用的蛋白质二级结构鉴定方法。它基于具有能量截止的氢键定义。为了评估是否氢键定义在一个参数自由的方式可以提供更多的一般性，同时保持准确性，我们检查了一系列的氢键定义分配一系列蛋白质的二级结构。分配的最强受体分叉的定义与规定未分配的供体氢，被称为SABLE方法，被发现匹配DSSP与95%的协议。小的不一致主要发生在螺旋、转弯和弯曲。虽然没有绝对的方法来分配蛋白质二级结构，避免分子特异性截止参数应该是有利的，在推广结构分配方法，以任何氢键系统。
DSSP is the most commonly used method to assign protein secondary structure. It is based on a hydrogen-bond definition with an energy cutoff. To assess whether hydrogen bonds defined in a parameter-free way may give more generality while preserving accuracy, we examine a series of hydrogen-bond definitions to assign secondary structure for a series of proteins. Assignment by the strongest-acceptor bifurcated definition with provision for unassigned donor hydrogens, termed the SABLE method, is found to match DSSP with 95% agreement. The small disagreement mainly occurs for helices, turns, and bends. While there is no absolute way to assign protein secondary structure, avoiding molecule-specific cutoff parameters should be advantageous in generalizing structure-assignment methods to any hydrogen-bonded system.