Figure 3. Process of substrate leaving the channel in wild-type and His mutants of AmtB.

A1, wild-type AmtB with CH₃NH₂ (13950 ps from trajectory A1). A2, wild-type AmtB with NH₃ (1792 ps from trajectory A2). B1, mutant H168A with CH₃NH₂ (100 ns from trajectory B1). B2, mutant H168A with NH₃ (4415 ps from trajectory B2 ). C1, mutant H318A with CH₃NH₂ (100 ns from trajectory C1). C2, mutant H318A with NH₃ (8860 ps from trajectory C2). D1, mutant H168A/H318A with CH₃NH₂ (5190 ps from trajectory D1). D2, mutant H168A/H318A with NH₃ (37460 ps from trajectory D2). D3, mutant H168A/H318A with CH₃NH₂ (3700 ps from trajectory D3). D4, mutant H168A/H318A with NH₃ (78420 ps from trajectory D4).