Movie S3.

Trajectory of KSID40N with ionized Tyr57 from the AI-PIMD simulation. Protons H16 and H32 (shown as their full ring polymers) are delocalized between the hydrogen-bonded oxygens. Green, red, and white represent carbon, oxygen, and hydrogen atoms, respectively. The blue-gray circles represent position uncertainty of H16 and H32. For clarity, other atoms are shown as their centroids. The three residues shown are (Left) Tyr16, (Right) Tyr32, and (Upper) Tyr57. The protein environment is also included in the video.