β -turn is one of the most important reverse turns because of its role in protein folding. Many computational methods have been studied for predicting β -turns and β -turn types. However, due to the imbalanced dataset, the performance is still inadequate. In this study, we proposed a novel over-sampling technique FOST to deal with the class-imbalance problem. Experimental results on three standard benchmark datasets showed that our method is comparable with state-of-the-art methods. In addition, we applied our algorithm to five benchmark datasets from UCI Machine Learning Repository and achieved significant improvement in G-mean and Sensitivity. It means that our method is also effective for various imbalanced data other than β -turns and β -turn types.
Chou, K.C. (2000) Prediction of Tight Turns and Their Types in Proteins. Analytical Biochemistry, 286, 1-16. http://dx.doi.org/10.1006/abio.2000.4757
Marcelino, A.M.C. and Gierasch, L.M. (2008) Roles of Beta-Turns in Protein Folding: From Peptide Models to Protein Engineering. Biopolymers, 89, 380-391. http://dx.doi.org/10.1002/bip.20960
Guruprasad, K. and Rajkumar, S. (2000) Beta-and Gamma-Turns in Proteins Revisited: A New Set of Amino Acid Turn-Type Dependent Positional Preferences and Potentials. Journal of Biosciences, 25, 143-156.
Takano, K., Yamagata, Y. and Yutani, K. (2000) Role of Amino Acid Residues at Turns in The Conformational Stability and Folding of Human Lysozyme. Biochemistry, 39, 8655-8665. http://dx.doi.org/10.1021/bi9928694
Hutchinson, E.G. and Thornton, J.M. (1994) A Revised Set of Potentials for Beta-Turn Formation in Proteins. Protein Science, 3, 2207-2216. http://dx.doi.org/10.1002/pro.5560031206
Shepherd, A.J., Gorse, D. and Thornton, J.M. (1999) Prediction of the Location and Type of Beta-Turns in Proteins Using Neural Networks. Protein Science, 8, 1045-1055. http://dx.doi.org/10.1110/ps.8.5.1045
Kaur, H. and Raghava, G.P.S. (2003) Prediction of Beta-Turns in Proteins from Multiple Alignment Using Neural Network. Protein Science, 12, 627-634. http://dx.doi.org/10.1110/ps.0228903
Petersen, B., Lundegaard, C. and Petersen, T.N. (2010) NetTurnP—Neural Network Prediction of Beta-Turns by Use of Evolutionary Information and Predicted Protein Sequence Features. PLoS ONE, 5, e15079. http://dx.doi.org/10.1371/journal.pone.0015079
Kountouris, P. and Hirst, J.D. (2010) Predicting Beta-Turns and Their Types Using Predicted Backbone Dihedral Angles and Secondary Structures. BMC Bioinformatics, 11, Article ID: 407. http://dx.doi.org/10.1186/1471-2105-11-407
Pham, T.H., Satou, K. and Ho, T.B. (2003) Prediction and Analysis of Beta-Turns in Proteins by Support Vector Machine. Genome Informatics, 14, 196-205.
Zhang, Q., Yoon, S. and Welsh, W.J. (2005) Improved Method for Predicting β-Turn Using Support Vector Machine. Bioinformatics, 21, 2370-2374. http://dx.doi.org/10.1093/bioinformatics/bti358
Hu, X. and Li, Q. (2008) Using Support Vector Machine to Predict β- and γ-Turns in Proteins. Journal of Computational Chemistry, 29, 1867-1875. http://dx.doi.org/10.1002/jcc.20929
Zheng, C. and Kurgan, L. (2008) Prediction of β-Turns at Over 80% Accuracy Based on an Ensemble of Predicted Secondary Structures and Multiple Alignments. BMC Bioinformatics, 9, 430. http://dx.doi.org/10.1186/1471-2105-9-430
Elbashir, M., Wang, J., Wu, F.X. and Wang, L. (2013) Predicting β-Turns in Proteins Using Support Vector Machines with Fractional Polynomials. Proteome Science, 11, S5. http://dx.doi.org/10.1186/1477-5956-11-S1-S5
Elbashir, M.K., Wang, J., Wu, F. and Li, M. (2012) Sparse Kernel Logistic Regression for β-Turns Prediction. 2012 IEEE 6th International Conference on Systems Biology (ISB), Xi’an, 18-20 August 2012, 246-251.
Kirschner, A. and Frishman, D. (2008) Prediction of β-Turns and β-Turn Types by a Novel Bidirectional Elman-Type Recurrent Neural Network with Multiple Output Layers (MOLEBRNN). Gene, 422, 22-29. http://dx.doi.org/10.1016/j.gene.2008.06.008
Fuchs, P.F.J. and Alix, A.J.P. (2005) High Accuracy Prediction of β-Turns and Their Types Using Propensities and Multiple Alignments. Proteins: Structure, Function, and Bioinformatics, 59, 828-839. http://dx.doi.org/10.1002/prot.20461
Shi, X., Hu, X., Li, S. and Liu, X. (2011) Prediction of β-Turn Types in Protein by Using Composite Vector. Journal of Theoretical Biology, 286, 24-30. http://dx.doi.org/10.1016/j.jtbi.2011.07.001
Nakamura, M., Kajiwara, Y., Otsuka, A. and Kimura, H. (2013) LVQ-SMOTE—Learning Vector Quantization Based Synthetic Minority Over-Sampling Technique for Bio-medical Data. BioData Mining, 6, 16.
He, H. and Garcia, E.A. (2009) Learning from Imbalanced Data. IEEE Transactions on Knowledge and Data Engineering, 21, 1263-1284. http://dx.doi.org/10.1109/TKDE.2008.239
Hutchinson, E.G. and Thornton, J.M. (1996) PROMOTIF—A Program to Identify and Analyze Structural Motifs in Proteins. Protein Science, 5, 212-220. http://dx.doi.org/10.1002/pro.5560050204
Altschul, S.F., Madden, T.L., Schaffer, A.A., Zhang, J., Zhang, Z., Miller, W. and Lipman, D.J. (1997) Gapped BLAST and PSI-BLAST: A New Generation of Protein Database Search Programs. Nucleic Acids Research, 25, 3389- 3402. http://dx.doi.org/10.1093/nar/25.17.3389
Tang, Z., Li, T., Liu, R., Xiong, W., Sun, J., Zhu, Y. and Chen, G. (2011) Improving the Performance of β-Turn Prediction Using Predicted Shape Strings and a Two-Layer Support Vector Machine Model. BMC Bioinformatics, 12, 283. http://dx.doi.org/10.1186/1471-2105-12-283
Sun, J., Tang, S., Xiong, W., Cong, P. and Li, T. (2012) DSP: A Protein Shape String and Its Profile Prediction Server. Nucleic Acids Research, 40, W298-W302. http://dx.doi.org/10.1093/nar/gks361
Offmann, B., Tyagi, M. and de Brevern, A.G. (2007) Local Protein Structures. Current Bioinformatics, 2, 165-202. http://dx.doi.org/10.2174/157489307781662105
Joseph, A.P., Agarwal, G., Mahajan, S., Gelly, J.C., Swapna, L.S., Offmann, B., Cadet, F., Bornot, A., Tyagi, M., Valadié, H., Schneider, B., Etchebest, C., Srinivasan, N. and de Brevern, A.G. (2010) A Short Survey on Protein Blocks. Biophysical Reviews, 2, 137-145. http://dx.doi.org/10.1007/s12551-010-0036-1
De Brevern, A.G., Etchebest, C. and Hazout, S. (2000) Bayesian Probabilistic Approach for Predicting Backbone Structures in Terms of Protein Blocks. Proteins: Structure, Function, and Bioinformatics, 41, 271-287. http://dx.doi.org/10.1002/1097-0134(20001115)41:3 3.0.CO;2-Z
De Brevern, A.G. (2005) New Assessment of a Structural Alphabet. In Silico Biology, 5, 283-289.
Joseph, A.P., Srinivasan, N. and de Brevern, A.G. (2011) Improvement of Protein Structure Comparison Using a Structural Alphabet. Biochimie, 93, 1434-1445. http://dx.doi.org/10.1016/j.biochi.2011.04.010
Karatzoglou, A., Wien, T.U., Smola, A., Hornik, K. and Wien, W. (2004) Kernlab—An S4 Package for Kernel Methods in R. Journal of Statistical Software, 11, 1-20.
Altidor, W., Khoshgoftaar, T.M. and Hulse, J.V. (2011) Robustness of Filter-Based Feature Ranking: A Case Study. Proceedings of 24th Florida Artificial Intelligence Research Society Conference (FLAIRS-24), Palm Beach, 18-20 May 2011, 453
Sonego, P., Kocsor, A. and Pongor, S. (2008) ROC Analysis: Applications to the Classification of Biological Sequences and 3D Structures. Briefings in Bioinformatics, 9, 198-209. http://dx.doi.org/10.1093/bib/bbm064
Bache, K. and Lichman, M. (2013) UCI Machine Learning Repository. School of Information and Computer Sciences, University of California, Irvine.