Wallner Björn, Elofsson Arne
Center for Biomembrane Research, Stockholm University, SE-106 91 Stockholm, Sweden.
Proteins. 2007;69 Suppl 8:184-93. doi: 10.1002/prot.21774.
The ability to rank and select the best model is important in protein structure prediction. Model Quality Assessment Programs (MQAPs) are programs developed to perform this task. They can be divided into three categories based on the information they use. Consensus based methods use the similarity to other models, structure-based methods use features calculated from the structure and evolutionary based methods use the sequence similarity between a model and a template. These methods can be trained to predict the overall global quality of a model, that is, how much a model is likely to differ from the native structure. The methods can also be trained to pinpoint which local regions in a model are likely to be incorrect. In CASP7, we participated with three predictors of global and four of local quality using information from the three categories described above. The result shows that the MQAP using consensus, Pcons, was significantly better at predicting both global and local quality compared with MQAPs using only structure or sequence based information.
在蛋白质结构预测中,对最佳模型进行排名和选择的能力至关重要。模型质量评估程序(MQAPs)就是为执行这项任务而开发的程序。根据所使用的信息,它们可分为三类。基于共识的方法利用与其他模型的相似性,基于结构的方法使用从结构计算得出的特征,而基于进化的方法则利用模型与模板之间的序列相似性。这些方法可以经过训练来预测模型的整体全局质量,即模型与天然结构可能存在多大差异。这些方法还可以经过训练来精确指出模型中哪些局部区域可能是不正确的。在CASP7中,我们使用上述三类信息参与了三个全局质量预测器和四个局部质量预测器的工作。结果表明,与仅使用基于结构或序列信息的MQAPs相比,使用共识的MQAP(Pcons)在预测全局和局部质量方面都明显更好。