Factors Governing Fibrillogenesis of Polypeptide Chains Revealed by Lattice Models
Factors Governing Fibrillogenesis of Polypeptide Chains Revealed by Lattice Models
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DOI：
10.1103/physrevlett.105.218101
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发表时间：
2010-11-17
影响因子：
8.6
通讯作者：
Thirumalai, D.
中科院分区：
文献类型：
--
作者：
Li, Mai Suan;Co, Nguyen Truong;Thirumalai, D.
使用晶格模型，我们通过对序列和构象空间的详尽采样来探索决定多肽链聚集倾向的因素。纤维状结构的形态和形成的时间尺度(tau(Fib))取决于疏水和库仑相互作用之间的平衡。在分离蛋白质的构象光谱中，N*结构是倾向于纤维的结构，N*结构的集聚程度是tau(Fib)的主要决定因素。这种观察被用来通过穷尽地探索序列空间来确定聚集序列，从而为在全基因组范围内搜索容易聚集的片段提供基础。
Using lattice models we explore the factors that determine the tendencies of polypeptide chains to aggregate by exhaustively sampling the sequence and conformational space. The morphologies of the fibril-like structures and the time scales (tau(fib)) for their formation depend on a balance between hydrophobic and Coulomb interactions. The extent of population of an ensemble of N* structures, which are fibril-prone structures in the spectrum of conformations of an isolated protein, is the major determinant of tau(fib). This observation is used to determine the aggregating sequences by exhaustively exploring the sequence space, thus providing a basis for genome wide search of fragments that are aggregation prone.