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Title: SpotOn: High Accuracy Identification of Protein-Protein Interface Hot-Spots
Authors: Moreira, Irina S. 
Koukos, Panagiotis I. 
Melo, Rita 
Almeida, José G. 
Preto, Antonio J. 
Schaarschmidt, Joerg
Trellet, Mikael
Gümüş, Zeynep H
Costa, Joaquim 
Bonvin, Alexandre M. J. J. 
Issue Date: 14-Aug-2017
Project: Irina S. Moreira acknowledges support by the Fundação para a Ciência e a Tecnologia (FCT) Investigator programme - IF/00578/2014 (co-financed by European Social Fund and Programa Operacional Potencial Humano), and a Marie Skłodowska-Curie Individual Fellowship MSCA-IF-2015 [MEMBRANEPROT 659826]. This work was also financed by the European Regional Development Fund (ERDF), through the Centro 2020 Regional Operational Programme under project CENTRO-01-0145-FEDER-000008: BrainHealth 2020, and through the COMPETE 2020 - Operational Programme for Competitiveness and Internationalisation and Portuguese national funds via FCT, under project POCI-01-0145-FEDER-007440. Rita Melo acknowledges support from the FCT (FCT—SFRH/BPD/97650/2013). Jörg Schaarschmidt acknowledges support from the European H2020 e-Infrastructure grant West-Life grant no. 675858. Mikael Trellet acknowledges support from the European H2020 e-Infrastructure grants West-Life grant no. 675858 and BioExcel grant no. 675728. Panagiotis Koukos and Alexandre Bonvin acknowledge financial support from the Dutch Foundation for Scientific Research (NWO) (TOP-PUNT grant 718.015.001). Zeynep H. Gümüş acknowledges financial support from start-up funds at Icahn School of Medicine at Mount Sinai. 
Volume: 7
Issue: 1
Abstract: 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: .
ISSN: 2045-2322
DOI: 10.1038/s41598-017-08321-2
Rights: openAccess
Appears in Collections:I&D CNC - Artigos em Revistas Internacionais

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