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Kathryn Tunyasuvunakool, Jonas Adler, Zachary Wu, Tim Green, Michal Zielinski, Augustin Žídek, Alex Bridgland, Andrew Cowie, Clemens Meyer, Agata Laydon and 23 more
Protein structures can provide invaluable information, both for reasoning about biological processes and for enabling interventions such as structure-based drug development or targeted mutagenesis. After decades of effort, 17% of the total residues in human protein sequences are covered by an experimentally determined structure 1 . Here we markedly expand the structural coverage of the proteome by applying the state-of-the-art machine learning method, AlphaFold 2 , at a scale that covers almost the entire human proteome (98.5% of human proteins). The resulting dataset covers 58% of residues with a confident prediction, of which a subset (36% of all residues) have very high confidence. We introduce several metrics developed by building on the AlphaFold model and use them to interpret the dataset, identifying strong multi-domain predictions as well as regions that are likely to be disordered. Finally, we provide some case studies to illustrate how high-quality predictions could be used to generate biological hypotheses. We are making our predictions freely available to the community and anticipate that routine large-scale and high-accuracy structure prediction will become an important tool that will allow new questions to be addressed from a structural perspective.
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Tunyasuvunakool, K., Adler, J., Wu, Z., Green, T., Zielinski, M., Žídek, A., Bridgland, A., Cowie, A., Meyer, C., Laydon, A., Velankar, S. S., Kleywegt, G. J., Bateman, A. G., Evans, R., Pritzel, A., Figurnov, M., Ronneberger, O., Bates, R., Köhl, S., … Hassabis, D. (2021). Highly accurate protein structure prediction for the human proteome. Nature, 596(7873), 590–596. https://doi.org/10.1038/s41586-021-03828-1
Tunyasuvunakool, Kathryn, et al. "Highly accurate protein structure prediction for the human proteome." Nature, vol. 596, no. 7873, 2021, pp. 590–596, https://doi.org/10.1038/s41586-021-03828-1.
Tunyasuvunakool, Kathryn, Jonas Adler, Zachary Wu, Tim Green, Michal Zielinski, Augustin Žídek, Alex Bridgland, et al. "Highly accurate protein structure prediction for the human proteome." Nature 596, no. 7873 (2021): 590–596. https://doi.org/10.1038/s41586-021-03828-1.
Tunyasuvunakool K., Adler J., Wu Z. [и др.] Highly accurate protein structure prediction for the human proteome // Nature. — 2021. — Vol. 596, № 7873. — P. 590–596. — URL: https://doi.org/10.1038/s41586-021-03828-1
@article{tunyasuvunakool2021highly,
title = {{Highly accurate protein structure prediction for the human proteome}},
author = {Kathryn Tunyasuvunakool and Jonas Adler and Zachary Wu and Tim Green and Michal Zielinski and Augustin Žídek and Alex Bridgland and Andrew Cowie and Clemens Meyer and Agata Laydon and Sameer S Velankar and Gerard J. Kleywegt and Alex G. Bateman and Richard Evans and Alexander Pritzel and Michael Figurnov and Olaf Ronneberger and Russ Bates and Simon Köhl and Anna Potapenko and Andrew J. Ballard and Bernardino Romera‐Paredes and Stanislav Nikolov and Rishub Jain and Ellen Clancy and David Reiman and Stig Petersen and Andrew Senior and Koray Kavukcuoglu and Ewan Birney and Pushmeet Kohli and John Jumper and Demis Hassabis},
journal = {Nature},
year = {2021},
volume = {596},
number = {7873},
pages = {590--596},
doi = {10.1038/s41586-021-03828-1},
url = {https://doi.org/10.1038/s41586-021-03828-1}
}TY - JOUR AU - Tunyasuvunakool, Kathryn AU - Adler, Jonas AU - Wu, Zachary AU - Green, Tim AU - Zielinski, Michal AU - Žídek, Augustin AU - Bridgland, Alex AU - Cowie, Andrew AU - Meyer, Clemens AU - Laydon, Agata AU - Velankar, Sameer S AU - Kleywegt, Gerard J. AU - Bateman, Alex G. AU - Evans, Richard AU - Pritzel, Alexander AU - Figurnov, Michael AU - Ronneberger, Olaf AU - Bates, Russ AU - Köhl, Simon AU - Potapenko, Anna AU - Ballard, Andrew J. AU - Romera‐Paredes, Bernardino AU - Nikolov, Stanislav AU - Jain, Rishub AU - Clancy, Ellen AU - Reiman, David AU - Petersen, Stig AU - Senior, Andrew AU - Kavukcuoglu, Koray AU - Birney, Ewan AU - Kohli, Pushmeet AU - Jumper, John AU - Hassabis, Demis TI - Highly accurate protein structure prediction for the human proteome JO - Nature VL - 596 IS - 7873 SP - 590 EP - 596 PY - 2021 DA - 2021/07/22 DO - 10.1038/s41586-021-03828-1 UR - https://doi.org/10.1038/s41586-021-03828-1 ER -
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