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A neural-network based method for prediction of γ-turns in proteins from multiple sequence alignment

机译:基于神经网络的多序列比对预测蛋白质γ-转角的方法

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摘要

In the present study, an attempt has been made to develop a method for predicting γ-turns in proteins. First, we have implemented the commonly used statistical and machine-learning techniques in the field of protein structure prediction, for the prediction of γ-turns. All the methods have been trained and tested on a set of 320 nonhomologous protein chains by a fivefold cross-validation technique. It has been observed that the performance of all methods is very poor, having a Matthew’s Correlation Coefficient (MCC) ≤ 0.06. Second, predicted secondary structure obtained from PSIPRED is used in γ-turn prediction. It has been found that machine-learning methods outperform statistical methods and achieve an MCC of 0.11 when secondary structure information is used. The performance of γ-turn prediction is further improved when multiple sequence alignment is used as the input instead of a single sequence. Based on this study, we have developed a method, GammaPred, for γ-turn prediction (MCC = 0.17). The GammaPred is a neural-network-based method, which predicts γ-turns in two steps. In the first step, a sequence-to-structure network is used to predict the γ-turns from multiple alignment of protein sequence. In the second step, it uses a structure-to-structure network in which input consists of predicted γ-turns obtained from the first step and predicted secondary structure obtained from PSIPRED. (A Web server based on GammaPred is available at .)
机译:在本研究中,已经尝试开发预测蛋白质中γ-转角的方法。首先,我们已经在蛋白质结构预测领域中实现了常用的统计和机器学习技术,以预测γ-转角。所有方法已经通过五重交叉验证技术在一组320条非同源蛋白链上进行了训练和测试。据观察,所有方法的性能都非常差,马修相关系数(MCC)≤0.06。其次,从PSIPRED获得的预测二级结构用于γ圈预测。已经发现,当使用二级结构信息时,机器学习方法的性能优于统计方法并达到0.11的MCC。当使用多个序列比对而不是单个序列作为输入时,可以进一步提高γ转弯预测的性能。基于这项研究,我们开发了一种用于γ转弯预测(MCC = 0.17)的方法GammaPred。 GammaPred是一种基于神经网络的方法,可以分两个步骤预测γ圈。第一步,使用序列-结构网络根据蛋白质序列的多重比对预测γ-转角。在第二步中,它使用一个结构到结构的网络,其中输入包括从第一步获得的预测γ圈和从PSIPRED获得的预测的二级结构。 (可在上找到基于GammaPred的Web服务器。)

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