Figure 4.

Domain tilting and twisting during the simulations of α4β2 nAChR bound with DHβE. (a) Radial tilt angle of the ECDs of the α4β2 nAChR in complex with DHβE. (b) Tangential tilt angle of the ECDs of the α4β2 nAChR in complex with DHβE. (c) Twist angles between the ECD and TMD of the α4β2 nAChR bound with DHβE. Data for Simulations 1, 2, and 3 are represented as red, blue, and green curves, respectively. The data represented here are the average of measurements made for the five subunits, and measurements for individual subunits are shown in Figure S2. The orange dashed line represents the measurement made in the nicotine/α4β2 nAChR complex (PDB identifier 5kxi)