Figure 4

Conformational changes at dimer interface in the dual-β K MD simulation E2b. Top view of the dimer interface at 30 ns with the secondary channel solvent-exposed (dotted yellow eclipse) and the βK molecules shown as green surfaces. The dashed green line indicates a cleft which exists between the two H11 helixes at 0 ns, but that disappears over the simulation run. The full yellow circles indicate additional grooves formed at the interface. The cyan arrows indicate the primary funnel accesses for both chains.