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Steered MD simulations of indole transport. (a) Additional pulling force has been applied starting from indole equilibrium position towards the exit gate (Gln124 and Tyr758 (not shown)). (b) Profiles of the pulling force along the indole pathway. (c) Important lining residues along the indole pathway presented in a ball and stick representation. Indoles (presented in licorice representation) are imposed throughout the transport pathway of the porter domain of monomer-II.
