Fig. 3.

Structural ensemble of the EI^A–PEP complex obtained from combined refinement against SAXS and RDC data for N_e = 2. (A) Overall distribution of EIN relative to EIC displayed as a reweighted atomic probability density map plotted at 2% (transparent yellow surface) of maximum. EIC is shown as a white ribbon. Conformations adopted by EIN in the EI^closed and EI^{partially closed} states are shown as blue and green ribbons, respectively. (B) Backbone atomic probability density map (plotted at 50% and 2% of maximum in transparent red and yellow, respectively) for EI^{partially closed} generated from the N_e = 2 calculations. (C) Orientation of EIN^α relative to EIN^α/β (white ribbon). EIN^α in EI^open, EI^closed, and EI^{partially closed} is displayed in red (transparent), dark blue/light blue (for the two subunits of the X-ray structure of EI^closed), and green, respectively. The C^α rms difference between EIN^α of EI^{partially closed} (green) and EI^closed (dark blue) is smaller than the C^α rms difference between the dark-blue and light-blue EIN^α subdomains of EI^closed: 3.2 Å vs. 5.6 Å (Table S1).