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

07 September 2020, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


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.


Spike proteins
conformation analysis

Supplementary weblinks


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