Fig. 5.

AQP1 secondary structure stability and effects on lipid structural properties. a RMSD of individual helices; the error indicates errors of the mean among the individual chains. The functionally important helices TM3 and TM7 form a filter for small charged molecules [103]. b Fraction of trans dihedral angles of pure Avanti bilayer and Avanti lipids in the Avanti/AQP1 system. In blue, the average difference in the order parameters in the pure Avanti CG system and in Avanti/AQP1 CG system is shown. The error bars in the latter subplot indicate the standard deviation over individual bonds along the lipid tails. For absolute values of order parameters and for the differences between the Avanti CG and Avanti/AQP1 CG system for each bond at each temperature, see Additional file 1: Fig. S19. c Visualization of local membrane thinning by AQP1 tetramer (shown as gray cartoons) viewed from the cytoplasmic side. d Bilayer thinning in 0.5 nm and 1 nm surroundings around AQP1 in both AA and CG resolutions as compared to pure Avanti bilayers