Figure S1
Distances ds(H2’),  ds(H2”) and ds(H6/8) inferred from NOE cross-peaks and from dP along the Jun-Fos oligomer sequence.

Distances ds(H2’),  ds(H2”) and ds(H6/8), in Å, inferred from NOE cross-peaks (red) and from dP (black) along the Jun-Fos oligomer sequence. The bars cover either the experimental errors of the NMR measurements or the uncertainties associated to the extrapolations of dP. 

Figure S2
Populations of phosphate BII states along the Jun-Fos oligomer sequence, for the 4 MD_dP variants.

The BII populations are expressed in percent. The experimental data (red) are plotted alongside their simulated counterpart extracted from the 4 MD_dP variants (Table S3), i.e. under instantaneous (upper panel, solid symbols) and time-averaged (lower panel, open symbols) restraints, applied with force constants of 5 (□ and ■) and 10 ( and ▲) kcal/mol/Å2. 

Figure S3
Groove dimensions (Å) of the Jun-Fos oligomer in conformational families 2 and 5.

Width (upper panels) and depth (lower panels) of minor (left) and major (right) grooves for families 2 (dashed line) and 5 (solid line), defined Tables 2 and S5. These average values were extracted from the best MD_dP variant, i.e. with instantaneous restraints applied with a force constant of 10 kcal/mol/Å2.