Virus structure predictions
Predicting the structure of viral proteins opens up a new field of research for the comparative genomics of viruses. The reason for this is that the folding of many viral enzymes or virion structural proteins is restricted, while the sequence itself is often so diverse that it cannot be aligned. New tools for structure prediction and analysis are shedding light on the dark proteome of viruses.
Structure prediction model
Name | type | algorithm | notes | Publication |
AlphaFold2 | Colab | Alignement | | May 2022  |
ESMfold | Web resource | Protein language model | Max length of 400 aa | March 2023  |
AlphaFold3 | Web resource | Mix alignement/ PLM?? | licence restrictions, max 20 models/day | June 2024  |
More on structure prediction software:
PDB
Name | Type | Method | Publication |
Foldseek | Structure alignment search | Structural alphabet | Feb 2024  |
FoldMason | Structural phylogenetics | Structural alphabet | Aug 2024  |
Foldtree | Structural phylogenetics | Structural alphabet + sequence MSA | Oct 2023* |
Virus model database
Norburg's virome predictions in ViralZone
47841 predicted structures are available in the ViralZone datasheets via the "3D Models" tab. All available structures are sorted by virus. For each structure, a link to the corresponding UniProt entry shows the name of the protein, and a link to the ModelArchive provides access to the structure data. The pop-up window that appears when hovering over the links allows you to preview the structure (ModelArchive) or the UniProt entry displaying a PDB structure, if available.

BFVD-a large repository of predicted viral protein structures
Rachel Seongeun Kim, Eli Levy Karin, Milot Mirdita, Rayan Chikhi, Martin Steinegger
Nucleic Acids Res. 2025 Jan 6;53(D1):D340-D347.
Birth of protein folds and functions in the virome
Jason Nomburg, Erin E Doherty, Nathan Price, Daniel Bellieny-Rabelo, Yong K Zhu, Jennifer A Doudna
Nature. 2024 Sep;633(8030):710-717.
Viro3D: a comprehensive database of virus protein structure predictions
Ulad Litvin, Spyros Lytras, Alexander Jack, ProfileDavid L Robertson, Joe Grove, Joseph Hughes.
BioRxiv. 2024 Dec.
Structural phylogenetics unravels the evolutionary diversification of communication systems in gram-positive bacteria and their viruses.
David Moi, Charles Bernard, Martin Steinegger, Yannis Nevers, Mauricio Langleib, Christophe Dessimoz
BioRxiv. 2023 Oct.
Multiple Protein Structure Alignment at Scale with FoldMason
Cameron L.M. Gilchrist, Milot Mirdita, Martin Steinegger.
BioRxiv. 2024 Aug.
ColabFold: making protein folding accessible to all
Milot Mirdita, Konstantin Sch?tze, Yoshitaka Moriwaki, Lim Heo, Sergey Ovchinnikov, Martin Steinegger
Nat Methods. 2022 May 30;19(6):679?682.
Fast and accurate protein structure search with Foldseek
Michel van Kempen, Stephanie S Kim, Charlotte Tumescheit, Milot Mirdita, Jeongjae Lee, Cameron L M Gilchrist, Johannes S?ding, Martin Steinegger
Nat Biotechnol. 2024 Feb;42(2):243-246.
Accurate structure prediction of biomolecular interactions with AlphaFold 3
Josh Abramson, Jonas Adler, Jack Dunger, Richard Evans, Tim Green, Alexander Pritzel, Olaf Ronneberger, Lindsay Willmore, Andrew J Ballard, Joshua Bambrick, Sebastian W Bodenstein, David A Evans, Chia-Chun Hung, Michael O'Neill, David Reiman, Kathryn Tunyasuvunakool, Zachary Wu, Akvil? ?emgulyt?, Eirini Arvaniti, Charles Beattie, Ottavia Bertolli, Alex Bridgland, Alexey Cherepanov, Miles Congreve, Alexander I Cowen-Rivers, Andrew Cowie, Michael Figurnov, Fabian B Fuchs, Hannah Gladman, Rishub Jain, Yousuf A Khan, Caroline M R Low, Kuba Perlin, Anna Potapenko, Pascal Savy, Sukhdeep Singh, Adrian Stecula, Ashok Thillaisundaram, Catherine Tong, Sergei Yakneen, Ellen D Zhong, Michal Zielinski, Augustin ??dek, Victor Bapst, Pushmeet Kohli, Max Jaderberg, Demis Hassabis, John M Jumper
Nature. 2024 Jun;630(8016):493-500.
Evolutionary-scale prediction of atomic-level protein structure with a language model
Zeming Lin, Halil Akin, Roshan Rao, Brian Hie, Zhongkai Zhu, Wenting Lu, Nikita Smetanin, Robert Verkuil, Ori Kabeli, Yaniv Shmueli, Allan Dos Santos Costa, Maryam Fazel-Zarandi, Tom Sercu, Salvatore Candido, Alexander Rives.
Science. 2023 Mar 17;379(6637):1123-1130.