An evaluation of β-turn prediction methods

Abstract

Motivation: β-turn is an important element of protein structure. In the past three decades, numerous β-turn prediction methods have been developed based on various strategies. For a detailed discussion about the importance of β-turns and a systematic introduction of the existing prediction algorithms for β-turns and their types, please see a recent review (Chou, Analytical Biochemistry, 286, 1-16, 2000). However at present, it is still difficult to say which method is better than the other. This is because of the fact that these methods were developed on different sets of data. Thus, it is important to evaluate the performance of β-turn prediction methods. Results: We have evaluated the performance of six methods of β-turn prediction. All the methods have been tested on a set of 426 non-homologous protein chains. It has been observed that the performance of the neural network based method, BTPRED, is significantly better than the statistical methods. One of the reasons for its better performance is that it utilizes the predicted secondary structure information. We have also trained, tested and evaluated the performance of all methods except BTPRED and GORBTURN, on new data set using a 7-fold cross-validation technique. There is a significant improvement in performance of all the methods when secondary structure information is incorporated. Moreover, after incorporating secondary structure information, the Sequence Coupled Model has yielded better results in predicting β-turns as compared with other methods. In this study, both threshold dependent and independent (ROC) measures have been used for evaluation.