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(A) Opening of TLL from the closed crystal structure (orange) to the open crystal structure (blue) in toluene. Yellow: lid position at 25 ns of simulation. Only one end of the lid helix reached the open crystal structure. (B) Closing of TLL from the open crystal structure (blue) to the closed crystal structure (orange). Green: lid position at 25 ns of simulation. Only one end of the lid helix reached the closed crystal structure.
