一种GPCR跨膜螺旋形变的建模方法

Method for Modeling the Distortions of Transmembrane Helix in G-protein Couple Receptor

跨膜螺旋是GPCR的最主要特征,单个螺旋的预测精度直接影响GPCR整体三维结构的预测。GPCR螺旋形变预测是一个挑战性的难题。该形变用发生形变的残基位置和该位置前后两端螺旋的夹角表示。基于目前已知的所有GPCR的跨膜螺旋结构,根据螺旋序列相似度进行聚类,然后在每类中对形变角度用连续型von Mises概率分布来建模。对建模后GPCR跨膜螺旋的形变角度进行了回归和预测测试。基于本文方法的模型,只需进行15次采样,就会有一次的采样结果近似符合天然螺旋的形变角度,这在很大程度上能够帮助跨膜螺旋空间结构的预测。

Transmembrane helix is main feature of the GPCR,and the accuracy of single helix prediction directly affects the prediction is of entire GPCR structure.It is a challenge problem to predict the distortion of the GPCR helix.The distortion is represented by using the kink residue place and the angle of two fragment helix around the distortion position.Based on the all known GPCR＇s helixes structure currently,the helixes are clustered according to the helix sequence similarity,and the bend angles in each cluster are modeled by using continuous von mises probability distribution.The modeled GPCR TM kink angles are tested by using the regression and forecast testing method.Based on this article＇s model,only fifteen times sampling would have a sample result close to the native TM distortion angle,which will help to improve the TM-helix structure prediction.