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Fig. 4
Figure 4. The updown motion of the N-helix increases the pore diameter. A, two-dimensional PMF profile of the RMSD of the P1 N-helix versus the pore radius in the heptameric channel. The initial structure and three low-energy conformational states during supervised MD simulations are labeled state 0, state 1, state 2, and state 3. B, representative structures of P4 and P7 in state 0, state 1, state 2 and state 3 of the heptameric channel. Two opposing protomers of the heptamer are shown in cartoon. PMF, potential of mean force.
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Full text @ J. Biol. Chem.