R _g and helicity of INS monomer (3E7Y PDB structure, Fig. S15, ESI) and candidate structures of INS-H₂O and INS-D₂O (Fig. 5).

	INS monomer	H2O				D2O
		Exp. avg	MD-1	MD-2	MD-3	Exp. avg	MD-1	MD-2	MD-3
R g (Å)	11.6	12.41	11.71	11.67	11.64	12.38	11.41	11.30	11.42
Helicity (%)	56	—	37.3	29.4	43.1	—	43.1	43.1	49.0