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. 2019 Nov 26;10:5366. doi: 10.1038/s41467-019-13227-w

Fig. 5.

Fig. 5

Transmission of the allosteric signal from the activation gate to the selectivity filter. a, b Visualization of the collective motion (ewMCM) of MthK that underlies SF widening at T59, in CHARMM and AMBER force fields, respectively. Lower parts of both outer and inner (M1 and M2, respectively) contribute the most to this motion. c Location of I84 in the crystal structure of MthK (PDB ID: 3LDC), in close proximity to T59. d Distance between I84 side chain (I84 CD) and T59 side chain (CG) as a function of channel opening at T59. e, f Comparison of the outward K+ current through MthK at 300 mV in WT and I84A mutant, for both AMBER and CHARMM force fields, respectively. g, h Correlation between AG opening (A88 CA–CA distance) and SF opening (T59 CA–CA distance) in both AMBER and CHARMM force fields, respectively. Error bars represent 95% confidence intervals. Source data are available as a Source Data file.