The starting conformation of P-gp and the motifs in direct contact with ATP at each ATP binding site at the end of the simulation period.

NOTE: WA: Walker A motif; S: Signature motif.
Binding Site 1 is the NBD1 Walker A (WA) and NBD2 Signature (S) motif.
Binding Site 2 is the NBD2 Walker A and NBD1 Signature motif.
The distance given is the distance between the center of mass of the Walker A and Signature motif at the end of the simulation.