Left: simulated distributions for a CG
model of the GpA62–101 homodimer in a POPC bilayer
projected onto the order parameters
ϕGT and dGG (top), and
onto the Crick angles ψCrick (bottom). The panels
on the right corresponds to ϕGT and dGG (top) and Crick angles (ψCrick) (bottom)
for the GpA62–101 system in 56 DPC surfactant molecules.
The colored scale defines the relative population. Triangles represent
NMR structures derived from GpA62–101 in DPC micelles
(1AFO, black), GpA70–98 in DPC micelles (2KPE, green),
and GpA61–98 in DMPC/DHPC bicelles (2KPF, red).