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Kink angle in helix 4 characterizes the outward-closed and outward-open conformations of the TMD. A: Comparison of the helix 3/helix 4 hairpin in the outward-closed (red) and outward-open (blue) conformations. Gly138 and Gly183 allow for a kink in the middle of helix 3 and helix 4, respectively. The orange arrow points toward the TMD central cavity. B, C: Density histogram of the kink angle for different nucleotide occupancy states. (B: θ1 in helix 3. C: θ2 in helix 4.)
