Figure 3

(A) Illustrative representation highlighting the hydrophobic H-1 (V145, V343, Y369) and H-2 (M30, Y33, L164, I255, Y256, F258) and ionic L-1 (Q143, R295) and L-2 (R141, D351, D354) locks. (B) Details of the partially occluded state (0 ns) and the outward full open state (289 ns). (C) Interatomic distances as a function of time for specific residues in hydrophobic and ionic locks.