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Predicted 3D models of the SARS-CoV-2 spike protein membrane proximal external region and transmembrane domain v2.pdf (1.4 MB)
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Predicted 3D Models of the SARS-CoV-2 Spike Protein Membrane Proximal External Region and Transmembrane Domain

preprint
submitted on 06.09.2020 and posted on 07.09.2020 by Alexander Izvorski
The transmembrane helix domain (TMD), membrane proximal external region (MPER) and part of heptad repeat 2 (HR2) domain in SARS-CoV-2 spike protein were modelled using a constrained fold-and-dock strategy. The resulting structures were clustered and their large scale pose variability and energy landscape is described; several representative models are discussed. The results suggest considerable flexibility in the conformation of those regions, which may have an important role in the ability of spike protein to fuse the cell and viral membranes.

History

Email Address of Submitting Author

alexander.izvorski@picomps.org

Institution

Postdoctoral Institute for Computational Studies

Country

USA

ORCID For Submitting Author

0000-0002-4008-8137

Declaration of Conflict of Interest

no conflict of interest

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