To validate the distribution of IMHBs for foldamer 2, we also investigated temperature coefficients on all acidic protons in solution. The VT study in chloroform (from 298.15 K to 323.15 K) suggested the carbamate NH proton has a unique low value (0.6 ppb/T) compared to all other amide NH protons (>1.9 ppb/T). This was consistent with modelling which shows the carbamate NH as the only solvent exposed acidic proton in low-energy ensembles. We then aligned the lowest energy structure from NMR-verified MCMM-DFT modelling (4C, green) with the (e,e)-crystal structure (Figure , beige). Only slight differences-occuring at the two termini were observed which are: (1) The benzyl moiety in crystallography showed hydrophobic contact with the ethyl side chain on the N-terminal dresidue, whilst the solution-state model suggested contact with the methyl side chain of the N-terminal alanine.