Fig. 5.

a Simulation showing Root Mean Square Fluctuation across individual residues of BC61-TAm in both water and 30% DMF. b Simulation predicting number of hydrogen bonds formed between water molecules and BC61-TAm protein in water (black line) and 30% DMF (red line). Number of H bonds between DMF and BC61-TAm in 30% DMF medium is also shown (green line). Solvation shell models simulating BC61-TAm in water (c) and 30% DMF (d). Water molecules were coloured according to a blue/white/red scheme corresponding to increasing density