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Fig. 1
Channels with extracellular and intracellular ends. Tunnels suitable for chloride conductance were identified in one case out of 22 equilibrium simulations with the ATP-bound CFTR structure (PDBID: 5W81) using Caver. The channels with top scores (spheres with red colors) were clustered based on the atom positions of the channel-lining residues. Intracellular residues with positive charges at the TM4/6 entry site are labeled with blue sticks. Lasso/L0 region, TMD1, TMD2, NBD1, and NBD2 domains are marked with dark green, pale green, green, yellow, and orange, respectively. Lipid molecules lining the pore in the region of TM8 are shown by black sticks.