SpotOn: High Accuracy Identification of Protein-Protein Interface Hot-Spots
Publication date
2017-12-01
Authors
de Sousa Moreira, Irina
Koukos, Panos
Melo, Rita
Almeida, Jose G
Preto, Antonio J.
Schaarschmidt, Jörg J
Trellet, Mikael E
Gümüş, Zeynep H
Costa, Joaquim
Bonvin, Alexandre M.J.J.
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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: http://milou.science.uu.nl/services/SPOTON/.
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de Sousa Moreira, I, Koukos, P, Melo, R, Almeida, J G, Preto, A J, Schaarschmidt, J, Trellet, M, Gümüş, Z H, Costa, J & Bonvin, A M J J 2017, 'SpotOn: High Accuracy Identification of Protein-Protein Interface Hot-Spots', Scientific Reports, vol. 7, no. 1, 8007. https://doi.org/10.1038/s41598-017-08321-2