蛋白质cα原子接触数理论分析及modi.pdfVIP

蛋白质 Cα 原子接触数统计分析及应用* 章社生, 范宁，何康，王星 (武汉理工大学统计系, 武汉 430070) 数字技术与应用 ______________ *武汉理工大学自主创新研究基金资助(批准号 09140716101)资 助项目, *国家自然科学基金(批准号资助项目 作者简介：章社生，男，1955 出生年,教授，博士，email: 联系地址：余家头联盟小区 9-3-402，电话 摘要 Cα 是蛋白质分子中重要原子，是蛋白质折叠和设计中重要研究 对象。根据 α-氨基酸和 Cα 原子的理化特性，本文研究蛋白质中 Cα 原 子空间拓扑结构，引入 Cα 原子接触数的概念，讨论了蛋白中 Cα 原子 数目比重、平均接触数以及平均接触数变化率。发现在蛋白质中，多 于 65%Cα 原子间距大于 3 个原子单位，间距在 4-10 之间时，平均接 触数变化率波动大，且 Cα 原子分布不均匀。 关键字 蛋白质; Cα 原子； 接触数； 数字特征; The statistical analysis and application of the contact number of Cα atoms Zhang She-sheng 、He Kang、Wang Xing 、Fan Ning Department of Statistics, Wuhan University of Technology, Wuhan.430070 Financially supported by self-determined and innovative research funds of WUT (Grant No. 09140716101) The granted project of the National Natural Science Foundation of China (Grant No. Email ： Abstract Cα plays an important role in protein, as well as in the study of protein folding and design. According to the physical and chemical properties of α-amino acid and Cα atoms, the study of Protein topology in Cα atoms is concerned in detail. With the introduction of the concept of contact number of Cα atoms, the atomic number proportion of Cα atoms in protein. The average contact number and average rate of change of contact number are discussed respectively. Consequently, the interatomic o distance of more than 65% of Cα atoms is greater than 3 A ; also the average rate of change of contact number fluctuates drastically within the o distance between 4 to10 A . Additionally, the distribution of Cα atoms is fairly uneven.