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首页> 外文期刊>Journal of Physics, D. Applied Physics: A Europhysics Journal >On Ramachandran angles, closed strings and knots in protein structure
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On Ramachandran angles, closed strings and knots in protein structure

机译：在Ramachandran角上，蛋白质结构中的闭合弦和结

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摘要

The Ramachandran angles (phi, psi) of a protein backbone form the vertices of a piecewise geodesic curve on the surface of a torus. When the ends of the curve are connected to each other similarly, by a geodesic, the result is a closed string that in general wraps around the torus a number of times both in the meridional and the longitudinal directions. The two wrapping numbers are global characteristics of the protein structure. A statistical analysis of the wrapping numbers in terms of crystallographic x-ray structures in the protein data bank (PDB) reveals that proteins have no net chirality in the phi direction but in the psi direction, proteins prefer to display chirality. A comparison between the wrapping numbers and the concept of folding index discloses a non-linearity in their relationship. Thus these three integer valued invariants can be used in tandem, to scrutinize and classify the global loop structure of individual PDB proteins, in terms of the overall fold topology.
机译：蛋白质骨架的Ramachandran角（phi，psi）在圆环表面上形成分段测地曲线的顶点。当曲线的两端通过测地线相似地彼此连接时，结果是闭合的弦线，该弦线通常在子午线和纵向方向上缠绕环面多次。这两个包裹数字是蛋白质结构的整体特征。根据蛋白质数据库（PDB）中的晶体X射线结构对包裹数的统计分析表明，蛋白质在phi方向上没有净手性，而在psi方向上，蛋白质更倾向于显示手性。包装号和折叠索引的概念之间的比较揭示了它们之间的非线性关系。因此，就整体折叠拓扑而言，这三个整数值不变式可串联使用，以检查和分类单个PDB蛋白的整体环结构。

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