Order and disorder – an integrative structure of the full-length human growth hormone receptor -- Models, back-mapped structures and SAXS fits

Data and support files for the models and SAXS fits reported in the manuscript:

"Order and disorder – an integrative structure of the full-length human growth hormone receptor" by Kassem and Araya-Secchi et al.

In this data set:

- Models of the GHR-ECDfl generated with Rosetta Floppy-Tail.

- Models of the GHR-ECD+TMD generated with Rosetta Domain-assembly protocol.

 -Backmapped structures (CG-AA) of:

i) Structures of the GHR-ICD from simulations with the Martini3 forcefield with different degrees of scaling of the protein-water interactions. Unbiased and MEtaD(Rg) simulations. 

ii) Structures of the GHRfl-GFP from a simulation (in a POPC bilayer) performed using the Martini3 forcefield and a protein-water interaction scaling of +10%.  

- Fits of the SAXS data obtained from GHRfl-GFP in a NanoDisc with theoretical scattering obtained from backmmaped structures from the GHRfl-GFP_M3pws10 simulation. Fits performed with WillItFit

Other related input files available at: https://github.com/Niels-Bohr-Institute-XNS-StructBiophys/GHRModel