Structural basis of GAIN domain autoproteolysis and cleavage-resistance in the adhesion G-protein coupled receptors

Structural basis of GAIN domain autoproteolysis and cleavage-resistance in the adhesion G-protein coupled receptors Molecular Dynamics Dataset serving for the shown MD analysis. This dataset contains: human ADGRB2 Simulations on the wild-type sequence with histidine in all three hetero states (b2-hsd, b2-hse, b2-hsp), as well as the double mutation S876F/N893G in the same manner (b2-mut-hsd, b2-mut-hse, b2-mut-hsp). rat ADGRL1 uncleaved model MD simulations on the wild-type sequence with histidine in all three hetero states (l1-hsd, l1-hse, l1-hsp) Each trajectory contains the glycosylated protein with a 100 ps timestep (~15000 frames). Further MD data is available upon request.