Fig. 1

Trajectory analysis of the hpUreI system. a Front view of the hpUreI system embedded in a popc lipid bilayer, solvated in presence of 150 mM of NaCl. b Up view of the hpUreI system. c RMSD (Å) values for the full hpUreI system. RMSD values were calculated for each frame of the simulations at pH 2.0 (red), pH 6.0 (blue) and pH 7.4 (green). d RMSF values for a single UreI channel extracted from the entire system at pH 2.0 (red), pH 6.0 (blue) and pH 7.4 (green), showing the response of the two peaks against changes on pH condition of the system. e Structural alignment of a single subunit of hpUreI complex at different times of simulation, colored by flexibility. The figures were rendered with the visualization software PyMol