文章基本信息

标题：Exploring the origins of topological frustration: Design of a minimally frustrated model of fragment B of protein A
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作者：Joan-Emma Shea ; José N. Onuchic ; Charles L. Brooks 等
期刊名称：Proceedings of the National Academy of Sciences
印刷版ISSN：0027-8424
电子版ISSN：1091-6490
出版年度：1999
卷号：96
期号：22
页码：12512-12517
DOI：10.1073/pnas.96.22.12512
语种：English
出版社：The National Academy of Sciences of the United States of America
摘要：Topological frustration in an energetically unfrustrated off-lattice model of the helical protein fragment B of protein A from Staphylococcus aureus was investigated. This G[o]-type model exhibited thermodynamic and kinetic signatures of a well-designed two-state folder with concurrent collapse and folding transitions and single exponential kinetics at the transition temperature. Topological frustration is determined in the absence of energetic frustration by the distribution of Fersht {varphi} values. Topologically unfrustrated systems present a unimodal distribution sharply peaked at intermediate {varphi
关键词：α-helical protein ; Fersht φ values ; minimalist off-lattice model ; topological frustration