Figure 7.

Intersubunit interaction energies mediated by the N-terminal residues. A. Mean nonbonded energy (E_nb) levels of the residues 111 through 117 in WT (blue) and R114G (red) across the four subunits during three simulations. Thus, each curve represents the mean of 12 (E_nb) at each time point. Light shaded areas represent standard deviation. B. T1 domain (PDB 7SSX) view from the intracellular side (left). Subunits are rendered in different colors with residues 114–117 in subunit A (green) and 111–113 in subunit B (magenta) shown using spheres. The same residues in the remaining subunits are depicted as sticks. On the right, the structure on the left is rotated 90° along the Y-axis so that the membrane is on the left and the intracellular side is on the right of the image. C. Nonbonded interaction energies between residues 114–117 in one subunit and residues 111–113 in the adjacent subunit (clockwise, viewed from the intracellular side) as a function of simulation time. Each graph represents the four interaction energies within a tetrameric complex from a separate simulation run (WT: blue, R114G: red). D. Coefficient of variation (CV) of the intersubunit interaction energies from the three WT (blue) and three R114G (red) simulations shown in C. Extreme values >200 % in one R114G simulation are not shown. E. Time-averaged CVs for the WT (blue) and R114G (red) simulations. Symbols (O, ▽, Δ) used in C. and E. correspond to those used in Figures 5A, 5B, 6, and Supplementary S5A to indicate different simulation runs.