Supplementary data to "Roles of ligand, phosphorylation, and membrane in assembling human β2-adrenergic receptor-β-arrestin complexes"

GROMACS simulation files, initial and final snapshots (all atoms) as well as simulation trajectories (proteins, ligands, membrane) of
(i) beta-arrestin 2 (barr2) in inactive and active form interacting with a membrane with or without PIP2 lipids,
(ii) beta2-adrenergic receptor activated by adrenaline and either phosphorylated on S355 and S356 or not, each embedded in a membrane with or without PIP2,
(iii) tail complex type of beta2-adrenergic receptor inactivated by ICI, phosphorylated on S355 and S356 in complex with active beta-arrestin2 in membranes with or without PIP2
(iv) core complex type of beta2-adrenergic receptor activated by adrenaline (ADR) with active beta-arrestin2 inserted by its fingerloop in the receptor core, in membrane with or without PIP2
(vi) tail-core complex of beta2-adrenergic receptor activated by adrenaline (ADR) and phosphorylated on S355 and S356 with beta-arrestin2 bound to both, the receptor core and the phosphorylated C-tail, in membrane with or without PIP2.