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NetSurfP-2.0: improved prediction of protein structural features by integrated deep learning

Michael Schantz Klausen, Martin Closter Jespersen, Henrik Nielsen, Kamilla Kjærgaard Jensen, Vanessa Isabell Jurtz, Casper Kaae Sønderby, Morten Otto Alexander Sommer, Ole Winther, Morten Nielsen, Bent Petersen, View ORCID ProfilePaolo Marcatili
doi: https://doi.org/10.1101/311209
Michael Schantz Klausen
1Novo Nordisk Foundation Center for Biosustainability, Technical University of Denmark, Kgs. Lyngby, Denmark
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Martin Closter Jespersen
2Department of Bio and Health Informatics, Technical University of Denmark, Kgs. Lyngby, Denmark
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Henrik Nielsen
2Department of Bio and Health Informatics, Technical University of Denmark, Kgs. Lyngby, Denmark
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Kamilla Kjærgaard Jensen
2Department of Bio and Health Informatics, Technical University of Denmark, Kgs. Lyngby, Denmark
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Vanessa Isabell Jurtz
2Department of Bio and Health Informatics, Technical University of Denmark, Kgs. Lyngby, Denmark
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Casper Kaae Sønderby
3Department of Applied Mathematics and Computer Science, Technical University of Denmark, Kgs. Lyngby, Denmark
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Morten Otto Alexander Sommer
1Novo Nordisk Foundation Center for Biosustainability, Technical University of Denmark, Kgs. Lyngby, Denmark
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Ole Winther
3Department of Applied Mathematics and Computer Science, Technical University of Denmark, Kgs. Lyngby, Denmark
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Morten Nielsen
2Department of Bio and Health Informatics, Technical University of Denmark, Kgs. Lyngby, Denmark
4Instituto de Investigaciones Biotecnológicas, Universidad Nacional de San Martín, Buenos Aires, Argentina
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Bent Petersen
2Department of Bio and Health Informatics, Technical University of Denmark, Kgs. Lyngby, Denmark
5Centre of Excellence for Omics-Driven Computational Biodiscovery (COMBio), Faculty of Applied Sciences, AIMST University, Kedah, Malaysia
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  • For correspondence: pamar{at}bioinformatics.dtu.dk
Paolo Marcatili
2Department of Bio and Health Informatics, Technical University of Denmark, Kgs. Lyngby, Denmark
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  • ORCID record for Paolo Marcatili
  • For correspondence: pamar{at}bioinformatics.dtu.dk
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ABSTRACT

The ability to predict a protein’s local structural features from the primary sequence is of paramount importance for unravelling its function if no solved structures of the protein or its homologs are available. Here we present NetSurfP-2.0 (http://services.bioinformatics.dtu.dk/service.php?NetSurfP-2.0), an updated and extended version of the tool that can predict the most important local structural features with unprecedented accuracy and run-time. NetSurfP-2.0 is sequence-based and uses an architecture composed of convolutional and long short-term memory neural networks trained on solved protein structures. Using a single integrated model, NetSurfP-2.0 predicts solvent accessibility, secondary structure, structural disorder, interface residues and backbone dihedral angles for each residue of the input sequences.

We assessed the accuracy of NetSurfP-2.0 on several independent validation datasets and found it to consistently produce state-of-the-art predictions for each of its output features. In addition to improved prediction accuracy the processing time has been optimized to allow predicting more than 1,000 proteins in less than 2 hours, and complete proteomes in less than 1 day.

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The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under a CC-BY-NC-ND 4.0 International license.
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Posted April 30, 2018.
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NetSurfP-2.0: improved prediction of protein structural features by integrated deep learning
Michael Schantz Klausen, Martin Closter Jespersen, Henrik Nielsen, Kamilla Kjærgaard Jensen, Vanessa Isabell Jurtz, Casper Kaae Sønderby, Morten Otto Alexander Sommer, Ole Winther, Morten Nielsen, Bent Petersen, Paolo Marcatili
bioRxiv 311209; doi: https://doi.org/10.1101/311209
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NetSurfP-2.0: improved prediction of protein structural features by integrated deep learning
Michael Schantz Klausen, Martin Closter Jespersen, Henrik Nielsen, Kamilla Kjærgaard Jensen, Vanessa Isabell Jurtz, Casper Kaae Sønderby, Morten Otto Alexander Sommer, Ole Winther, Morten Nielsen, Bent Petersen, Paolo Marcatili
bioRxiv 311209; doi: https://doi.org/10.1101/311209

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