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SpotOn: High Accuracy Identification of Protein-Protein Interface Hot-Spots

2017; Nature Portfolio; Volume: 7; Issue: 1 Linguagem: Inglês

10.1038/s41598-017-08321-2

2045-2322

Irina S. Moreira, Panagiotis I. Koukos, Rita Melo, José Guilherme de Almeida, António J. Preto, Jörg Schaarschmidt, Mikaël Trellet, Zeynep H. Gümüş, Joaquim Pinto da Costa, Alexandre M. J. J. Bonvin,

RNA and protein synthesis mechanisms

We present SpotOn, a web server to identify and classify interfacial residues as Hot-Spots (HS) and Null-Spots (NS). SpotON implements a robust algorithm with a demonstrated accuracy of 0.95 and sensitivity of 0.98 on an independent test set. The predictor was developed using an ensemble machine learning approach with up-sampling of the minor class. It was trained on 53 complexes using various features, based on both protein 3D structure and sequence. The SpotOn web interface is freely available at: http://milou.science.uu.nl/services/SPOTON/ .