Fig. 5

Proposed oligomerisation interfaces. Linear combinations of a set of seven structural models of NTS1 dimers combining NTS1 crystal structure monomers (PDB 4BUO²⁶) with GPCR dimer crystal structure templates (Supplementary Fig. 12) were compared to the experimental FRET results (for apo receptor). A combination of mostly a a TM5-6 interface (long TM4-4 distance) with a small contribution of a b TM3-4 (short TM4-4) and/or a c TM1-2-H8 interface (long TM4-4), was most consistent with the ensemble FRET results (see also Supplementary Table 3). d For each model, the smFRET population (see Fig. 2b) most consistent with the estimated average TM4 inter-residue distance for that model is indicated. e Predicted DEER distance distributions calculated for each of the models taking into account the spin label rotamers (see Supplementary Fig. 1c) are plotted here as histograms (5–6 in orange, 3–4 in green, and 1–2–8 in purple) on top of the experimental distance distributions for apo receptor (black line, with grey shaded area indicating the fitting error, see also Supplementary Fig. 10)