Shindyalov I N, Kolchanov N A
J Theor Biol. 1985 Nov 7;117(1):19-46. doi: 10.1016/s0022-5193(85)80163-6.
An empirical method for estimating the effects of single amino acid substitutions on structural stability of proteins with known spatial structure is developed. Twenty physical and chemical properties of amino acids and characteristics of protein tertiary structure were analysed to determine those most involved in producing instability. We employed data on 330 mutant variants of the alpha- and beta-subunits of human haemoglobin in choice of the parameters of the method developed which yielded a 81% of prediction accuracy of stability estimates for human mutant haemoglobins.
开发了一种经验方法，用于估计单个氨基酸取代对具有已知空间结构的蛋白质结构稳定性的影响。分析了氨基酸的20种物理和化学性质以及蛋白质三级结构的特征，以确定那些与产生不稳定性最相关的性质。在开发该方法的参数选择中，我们采用了人类血红蛋白α和β亚基330个突变变体的数据，该方法对人类突变血红蛋白稳定性估计的预测准确率达81%。
