从基因组信息预测结构和相互作用
Prediction of Structures and Interactions from Genome Information
摘要:
从蛋白质序列中的进化信息预测三维残基-残基接触已经在20世纪90年代初尝试过。然而,在CASP 11之前的CASP实验中评估的方法的接触预测准确度仍然相当低,通常具有$<20$ %真阳性。最近,接触预测已经被显著改进到可以基于预测的接触生成大蛋白质的精确三维模型的水平。这种改进是通过从蛋白质进化中的位点之间的氨基酸共变异或共取代的间接相关性中分离出直接相关性来实现的。在这里,我们回顾统计方法提取因果关系和各种方法来描述蛋白质的结构,复杂性和灵活性的基础上预测的接触。
英文摘要:
Predicting three dimensional residue-residue contacts from evolutionary information in protein sequences was attempted already in the early 1990s. However, contact prediction accuracies of methods evaluated in CASP experiments before CASP11 remained quite low, typically with $<20$% true positives. Recently, contact prediction has been significantly improved to the level that an accurate three dimensional model of a large protein can be generated on the basis of predicted contacts. This improvement was attained by disentangling direct from indirect correlations in amino acid covariations or cosubstitutions between sites in protein evolution. Here, we review statistical methods for extracting causative correlations and various approaches to describe protein structure, complex, and flexibility based on predicted contacts.
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