title: Prediction of beta-turns in proteins from multiple alignment using neural network.
abstract: A neural network-based method has been developed for the prediction of beta-turns in proteins by using multiple sequence alignment. Two feed-forward back-propagation networks with a single hidden layer are used where the first-sequence structure network is trained with the multiple sequence alignment in the form of PSI-BLAST-generated position-specific scoring matrices. The initial predictions from the first network and PSIPRED-predicted secondary structure are used as input to the second structure-structure network to refine the predictions obtained from the first net. A significant improvement in prediction accuracy has been achieved by using evolutionary information contained in the multiple sequence alignment. The final network yields an overall prediction accuracy of 75.5% when tested by sevenfold cross-validation on a set of 426 nonhomologous protein chains. The corresponding Q(pred), Q(obs), and Matthews correlation coefficient values are 49.8%, 72.3%, and 0.43, respectively, and are the best among all the previously published beta-turn prediction methods. The Web server BetaTPred2 (http://www.imtech.res.in/raghava/betatpred2/) has been developed based on this approach.
authors.affiliation: Institute of Microbial Technology, Sector 39A, Chandigarh, India.
authors.forename: Harpreet
authors.initials: H
authors.lastname: Kaur
authors.forename: Gajendra Pal Singh
authors.initials: GP
authors.lastname: Raghava
mesh_terms: D000465:Algorithms; D000595:Amino Acid Sequence; D003198:Computer Simulation; D016208:Databases, Factual; D015233:Models, Statistical; D008969:Molecular Sequence Data; D016571:Neural Networks, Computer; D017433:Protein Structure, Secondary