Fig 6. α:H1-B2 Loop’s response to transverse external electric fields.

(A) Final per-residue displacement, after application a 750 kV/cm EEF along the transverse axis, between a dimer exposed to a positive and negative transverse direction. Negatively and positively charged residues are highlighted with yellow and light-blue, respectively. (B) Average positions of the α:H1-B2 loop, during the final 5 ns of EEF application, along the transverse direction. Loop colors of dark blue, blue, light blue, yellow, light orange, orange, and red correspond to +200, +100, +50, 0, -50, -100, and -200 kV/cm field strengths, respectively. The positive and negative EEF directions are indicated with a blue and red arrowhead, respectively. (C, D) Probability distributions for the distance between α:40K and α:H3 and between α:47D and α:H3, using snapshots from the final 5 ns of EEF exposure, correspond to outward movement of the first and second half of the α:H1-B2 loop, respectively. Quartiles for distance measurements are indicated with vertical gray lines.