预测蛋白质对随机氨基酸取代的耐受性。
Predicting the tolerance of proteins to random amino acid substitution.
作者信息
Wilke Claus O, Bloom Jesse D, Drummond D Allan, Raval Alpan
机构信息
Keck Graduate Institute of Applied Life Sciences, Claremont, California, USA.
出版信息
Biophys J. 2005 Dec;89(6):3714-20. doi: 10.1529/biophysj.105.062125. Epub 2005 Sep 8.
Abstract
We have recently proposed a thermodynamic model that predicts the tolerance of proteins to random amino acid substitutions. Here we test this model against extensive simulations with compact lattice proteins, and find that the overall performance of the model is very good. We also derive an approximate analytic expression for the fraction of mutant proteins that fold stably to the native structure, Pf(m), as a function of the number of amino acid substitutions m, and present several methods to estimate the asymptotic behavior of Pf(m) for large m. We test the accuracy of all approximations against our simulation results, and find good overall agreement between the approximations and the simulation measurements.
摘要
我们最近提出了一个热力学模型，该模型可预测蛋白质对随机氨基酸替换的耐受性。在此，我们针对紧凑晶格蛋白质的大量模拟对该模型进行了测试，发现该模型的整体性能非常好。我们还推导了一个关于折叠成天然结构的稳定突变蛋白分数(Pf(m))的近似解析表达式，它是氨基酸替换数(m)的函数，并提出了几种方法来估计(m)较大时(Pf(m))的渐近行为。我们根据模拟结果测试了所有近似方法的准确性，发现这些近似方法与模拟测量结果总体上吻合良好。
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