Conformational dynamics of SARS-CoV-2 spike on a membrane reveals the allosteric effects of furin cleavage and the D614G mutation

By combining HDX-MS with the ability of eVLPs to display full-length native-like SARS-CoV-2 spike protein, we have determined the energetic and conformational effects of both the membrane environment and unique sequence features that are considered incompatible with soluble protein constructs. We find that eVLP-displayed spike can sample the open-interface trimer conformation observed in soluble constructs of spike, including sequences from engineered vaccine constructs and native viral sequences inaccessible to studies on soluble constructs. Moreover, the D614G mutation, which arose early in the pandemic, favors the canonical ‘closed-interface’ prefusion conformation, potentially mitigating premature S1 shedding in the presence of a cleaved furin site and providing an evolutionary advantage to the virus. Remarkably, furin cleavage at the S1/S2 boundary allosterically increases the flexibility of the S2' site, which may facilitate increased TMPRSS2 processing, enhancing viral infectivit..., , , # Data from: Conformational dynamics of SARS-CoV-2 spike on a membrane reveals the allosteric effects of furin cleavage and the D614G mutation

Dataset DOI: [10.5061/dryad.vq83bk46d](10.5061/dryad.vq83bk46d)

## Description of the data and file structure

The following data are the raw, extracted, and processed mass spectrometric data for both pulse-labeling and continuous-labeling HDX-MS experiments of the SARS-CoV-2 spike protein. 

### Files and variables

**File: Raw_MassSpec_Data_ForPaper_Upload.zip**

**Description:** All .raw files from mass spectra runs for all data presented in the paper. CSV peptide lists generated from tandem MS runs of undeuterated samples by Byonic. This can be read in the open source OpenMS software package. Processed and curated HDExaminer files for all continuous labeling and kinetics experiments can be accessed by contacting the author (not included because of no alternative open source for .HDX files).

#### File: Kinetics_4C_FracPrefusion_Values.xlsx
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