Fig. 2.

Comparison of conformational drift and flexibility of CsgG, uncomplexed and in the CsgG-CsgF complex, in 0 V. (a) RMSD of backbone Cα atoms in CsgG and eyelet loop region, compared to initial conformation, in six independent simulations. (b) RMSF of residues of interest (labelled in panel (c)), calculated for 100–200 ns of two simulations of CsgG and the CsgG-CsgF complex. RMSF of residues of the eyelet loop region are an average of values for the nine CsgG monomers. (c) B-factor representation of CsgG; the blue to red colouring and widening of the tube indicate regions with higher B-factors. The B-factors shown are calculated for 100–200 ns of one simulation each of CsgG and the CsgG-CsgF complex.