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Representative structures for the clusters from MD simulations of AA3266 in the µOR binding site. Focus on the opioid part. (A) MOR-1 cluster, (B) MOR-2 cluster, (C) MOR-3 cluster, (D) MOR-4 cluster. Only a few receptor (yellow) side chains and helices are shown for clarity. The surface covers a few side chains from TM3, ECL2, ECL3 and TM5 important for binding. The red number is the cluster population.
