通过自由能的差别划分蛋白质连续结构域

结构域是蛋白质三级结构下面的结构层次 ,大多数的蛋白质都可分为若干个结构域 ,结构域的不同组合使蛋白质具有不同的三级结构并具有不同的功能。蛋白质结构域的划分在理论与应用上都具有重要意义。但目前对结构域的划分还没有一个十分理想的方法。本文通过计算去折叠自由能来实现对蛋白质结构域的划分。用此方法对 5 0种不同蛋白质序列连续的双结构域进行了分析 ,大多数蛋白质的结构域划分结果与文献报道一致 ,另外一些虽然与文献报道结果不一致 ,但比文献报道的结果更合理

Delineation of Continuous Domains in Proteins by Differences of Free Energy

Domain is a protein architecture under proteins' tertiary structure, which can be identified in most of proteins. Different combinations of domains lead to the formation of diverse tertiary structures with diverse function for proteins. The delineation of domains for a protein is important not only conceptually but also practically. Unfortunately, up to now there is not an ideal means to achieve that. This paper proposes a method for domain delineation based on the maximum refolding free energy. The criteria are more or less objective. By using this method, 50 proteins are analyzed. The boundaries for most proteins agree with the data reported in literature. There are a few examples that seem more reasonable, although they are not identical with those in literature.