These are preliminary reports that have not been peer-reviewed. They should not be regarded as conclusive, guide clinical practice/health-related behavior, or be reported in news media as established information. For more information, please see our FAQs.
Predicted 3D models of the SARS-CoV-2 spike protein membrane proximal external region and transmembrane domain v2.pdf (1.4 MB)

Predicted 3D Models of the SARS-CoV-2 Spike Protein Membrane Proximal External Region and Transmembrane Domain

submitted on 06.09.2020, 22:52 and posted on 07.09.2020, 12:54 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.


Email Address of Submitting Author


Postdoctoral Institute for Computational Studies



ORCID For Submitting Author


Declaration of Conflict of Interest

no conflict of interest


Logo branding