Extended Data Fig. 5: Stability of DAMGO in molecular dynamics simulations.

a, Over the course of molecular dynamics simulations, the positions of the first four residues of DAMGO do not significantly change, while the fifth residue (Gly-ol) shows significant variability in position. Frames from the first and last 100 ns are shown with an intermediate to highlight both the relative stability of the first four amino acids and the flexibility of the fifth. Arrows show the extent of motion in the N- and C-terminal residues over the course of simulation. Cryo-EM density for DAMGO is shown as mesh. b, Root mean standard deviations (RMSDs) from the modelled pose of DAMGO to the pose during molecular dynamics simulations. The RMSD calculations include heavy atoms on the peptide backbone. Data from three independent simulations are plotted. The RMSDs for residues 1 to 4 (black) and the C-terminal Gly-ol (blue) are plotted separately to highlight their stability and mobility, respectively.