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Colloquium Paper: Folding funnels and frustration in off-lattice minimalist protein landscapes

机译:座谈会论文:格子中的折叠漏斗和挫折感 极简主义的蛋白质景观

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摘要

A full quantitative understanding of the protein folding problem is now becoming possible with the help of the energy landscape theory and the protein folding funnel concept. Good folding sequences have a landscape that resembles a rough funnel where the energy bias towards the native state is larger than its ruggedness. Such a landscape leads not only to fast folding and stable native conformations but, more importantly, to sequences that are robust to variations in the protein environment and to sequence mutations. In this paper, an off-lattice model of sequences that fold into a β-barrel native structure is used to describe a framework that can quantitatively distinguish good and bad folders. The two sequences analyzed have the same native structure, but one of them is minimally frustrated whereas the other one exhibits a high degree of frustration.
机译:现在,借助能量图论和蛋白质折叠漏斗概念,可以对蛋白质折叠问题进行完全定量的了解。良好的折叠顺序具有类似于粗糙漏斗的景观,其中朝向原始状态的能量偏差大于其坚固性。这样的格局不仅导致快速折叠和稳定的天然构象,而且更重要的是,导致了对蛋白质环境变化和序列突变具有鲁棒性的序列。在本文中,使用折叠成β桶天然结构的非格点序列模型来描述可以定量区分好文件夹和坏文件夹的框架。分析的两个序列具有相同的天然结构,但是其中一个受挫程度最小,而另一个则表现出高度挫败感。

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