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![[Figure 6]](ic5121fig6mag.jpg)
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Figure 6
Example of the Zernike3D Flexibility Hub workflow connected to cryoDRGN to perform an advanced analysis of the variability of SARS-CoV-2 spike in the 3Down conformation. (a) shows the main pipeline followed to perform the Zernike3D analysis. The connection to the cryoDRGN results described in Fig. 5 ![[link]](../../../../../../logos/arrows/d_arr.gif){kind=small} is performed at both particle and volume levels to increase the reliability and compatibility of the landscapes. In addition, the workflow shows how to perform a structure flexible fitting with the Zernike3D protocols, which can be used to analyse the conformational changes in the landscape at the atomic level. (b) provides a UMAP representation of the estimated Zernike3D conformational landscape for the 3Down conformation. Several conformations were selected from the landscape based on the particle density information provided by the hexbin plot; they are marked with small white circles, and labels mark those points used in (c). (c) shows the structural changes retrieved at the atomic level thanks to the flexible fitting procedure presented in (a). The different structures correspond to the three labelled conformations selected in (b). |
![[Figure 6]](ic5121fig6.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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