Gromiha M Michael
Computational Biology Research Center (CBRC), National Institute of Advanced Industrial Science and Technology (AIST), Aomi Frontier Building 17F, 2-43 Aomi, Koto-ku, Tokyo 135-0064, Japan.
J Chem Inf Model. 2005 Mar-Apr;45(2):494-501. doi: 10.1021/ci049757q.
Prediction of protein folding rates from amino acid sequences is one of the most important challenges in molecular biology. In this work, I have related the protein folding rates with physical-chemical, energetic and conformational properties of amino acid residues. I found that the classification of proteins into different structural classes shows an excellent correlation between amino acid properties and folding rates of two- and three-state proteins, indicating the importance of native state topology in determining the protein folding rates. I have formulated a simple linear regression model for predicting the protein folding rates from amino acid sequences along with structural class information and obtained an excellent agreement between predicted and experimentally observed folding rates of proteins; the correlation coefficients are 0.99, 0.96 and 0.95, respectively, for all-alpha, all-beta and mixed class proteins. This is the first available method, which is capable of predicting the protein folding rates just from the amino acid sequence with the aid of generic amino acid properties and structural class information.
从氨基酸序列预测蛋白质折叠速率是分子生物学中最重要的挑战之一。在这项工作中,我将蛋白质折叠速率与氨基酸残基的物理化学、能量和构象性质联系起来。我发现,将蛋白质分类为不同的结构类别显示出氨基酸性质与两态和三态蛋白质折叠速率之间存在极好的相关性,这表明天然状态拓扑结构在确定蛋白质折叠速率方面的重要性。我建立了一个简单的线性回归模型,用于根据氨基酸序列以及结构类别信息预测蛋白质折叠速率,并在预测的和实验观察到的蛋白质折叠速率之间取得了极好的一致性;对于全α、全β和混合类蛋白质,相关系数分别为0.99、0.96和0.95。这是第一种可用的方法,它能够借助通用氨基酸性质和结构类别信息仅从氨基酸序列预测蛋白质折叠速率。