Extended Data Fig. 6: Re-LPS contacts and position within the β-taco.

a, Average percentage occupancy of Re-LPS contacts made with the β-taco with a 4 Å cut-off. These contacts have been compared to those made by the detergent in the SfLptD structure (PDB ID: 4Q35; marked by an asterisk) and found that 90% of residues which interact with detergent. b, Top: Kernel density estimate (KDE) of the center of mass (COM) position between the five replicates indicate minimal diffusion over the course of the simulation. Middle: Partial density of Re-LPS across the β-taco demonstrating consistent and rigid contact across the ___domain, this implies that the Re-LPS bound within the β-taco does not have enough simulation time to sample the entire soluble ___domain in different binding poses, which would account for the discrepancy in deprotected coverage across this ___domain when compared to HDX-MS (Supplementary Fig. 15). Bottom: reference cartoon structure of β-taco to compare with above plot axes.