Figure 9. Hydrogen Bonds.

Number of hydrogen bonds across entire trajectory, set at 3.5Å distance maximum, between the TCR and pHLA. Trajectory 5, and Trajectory n5, for SMX (orange) and no SMX (blue) are graphed. Means are shown as solid lines, red SMX, black, no SMX. Hydrogen bonds are release more rapidly without SMX, and are the same in all trajectories, with differences in time frame at 20 picosecond intervals only over the first 2 nanoseconds for either trajectory set. This reflects bonds that change randomly at the pHLA interface, even before the TCR disengages. All bonds found through the first 300 picoseconds are listed in table S3.