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. 2017 Jan 31;114(7):1560–1565. doi: 10.1073/pnas.1615310114

Fig. 4.

Fig. 4.

CRY1 PHR is compact and CLOCK:BMAL1 bHLH-PAS-AB dimer is highly flexible in solution. (A) SAXS profile for CRY1 PHR (black) compared with the theoretical scattering profile for CRY1 PHR (PDB ID code 5T5X) calculated by the FoXS server (orange). Residuals for the fit are shown below with an overall χ = 1.13. (B) The crystal structure of CRY1 PHR fit into the solution envelope generated from the SAXS data. (C) SAXS profile for the CLOCK:BMAL1 PAS-AB dimer (black) compared with the theoretical scattering profile calculated from PDB ID code 4F3L by the FoXS server (orange). Multistate modeling of flexible regions within the dimer was performed with HingeProt paired with MultiFoXS. (D) A representative PDB from the top MultiFoXS hit that includes flexible loops not visible in the crystal structure (gray) aligned with PDB ID code 4F3L using the PAS-A domain of BMAL1; CLOCK, green; BMAL1, blue. Arrows indicate regions of predicted flexibility.