Fig. 6.

Interaction pattern between ghrelin and GHSR in the bound state model. Ghrelin is represented as balls and sticks. The receptor backbone is shown as a transparent white surface. The colors of the amino acids correspond to their physical and chemical properties: cyan, octanoylated aspartate; white, hydrophobic; green, polar; red, negatively charged; blue, positively charged. The dashed colored lines represent the contacts between the receptor and the ghrelin along the 2 trajectories. Red contacts represent strong persistent contacts, and orange contacts indicate transient and weaker contacts. This qualitative determination of contact used distances from the center of CG beads for all snapshots of the CG-MD trajectories.