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ANALYTICAL METHOD OF PROTEIN STRUCTURE STABILITY BY THERMODYNAMIC ENERGY FUNCTIONS CONTAINING HIGH-DIMENSIONAL STRUCTURE OF PROTEINS

机译:包含蛋白质高维结构的热力学能量函数的蛋白质结构稳定性分析方法

摘要

PURPOSE: An analytical method of protein structure stability by thermodynamic energy functions containing high-dimensional structure of proteins is provided, thereby easily determining whether the protein structure to be analyzed is natural structure. CONSTITUTION: The analytical method of protein structure stability by thermodynamic energy functions containing high-dimensional structure of proteins comprises judging whether the new protein/protein group satisfies the mathematical equation 12 using the score parameters, wherein the score parameters are calculated by the mathematical equation 12 using the groups, wherein the groups comprise a plurality of training protein group showing the natural structure extracted from the protein data of which amino acid sequence and tertiary structure via X-ray determination are known; a training decoy structure protein group which is formed by corresponding the amino acid sequence of protein A having length of NA to from a first amino acid to NA amino acid of protein B having the same or longer length of NB than NA, and repeating the correspondence with increasing one amino acid position of protein B; score parameters calculated by the mathematical equation 12 using score function showing energy level when a sequence s has a structure of letter "L" and containing all kinds of amino acids and local environment; new protein/protein group which does not belong to the training protein group; and new decoy structure protein group which is formed by the same method of the training protein group using the training protein group.
机译:目的:提供一种通过热力学能量函数包含蛋白质的高维结构的蛋白质结构稳定性的分析方法,从而容易地确定待分析的蛋白质结构是否为天然结构。组成:通过包含蛋白质高维结构的热力学能量函数来分析蛋白质结构稳定性的方法,包括使用得分参数判断新蛋白质/蛋白质组是否满足数学方程式12,其中得分参数由数学方程式12计算使用这些基团,其中所述基团包括多个训练蛋白基团,其显示从蛋白质数据中提取的天然结构,所述蛋白质数据的氨基酸序列和三级结构通过X射线测定是已知的;训练诱饵结构蛋白基团,其通过将具有NA长度的蛋白A的氨基酸序列对应于具有与NA相同或更长的NB长度的蛋白B的第一氨基酸至NA的氨基酸组成,并重复该对应关系而形成随着蛋白质B的一个氨基酸位置的增加;由数学方程式12使用得分函数计算得分参数,该得分函数表示当序列s具有字母“ L”的结构并且包含各种氨基酸和局部环境时的能级。不属于训练蛋白组的新蛋白/蛋白组;以及新的诱饵结构蛋白基团,其通过与训练蛋白基团相同的方法形成。

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