Figure 6. Simulations of ice docking of wildtype and inactive mutant sbwAFP against a growing ice surface.
(A) Representative side view of final docking orientation of wild type sbwAFP. (B) Overlay of 16 independent wild type sbwAFP docking simulations mapping the centre of mass z-axis coordinate of the AFP over time, an unchanging z-coordinate shows ice binding. (C) Representative side view of mutant sbwAFP in simulation. (D) Overlay of 16 independent mutant sbwAFP docking simulations showing all AFPs diffusing ahead of the ice front and no ice binding events. The mutant form of the sbwAFP consisted of 4 Thr to Leu mutations at positions 7, 21, 39 and 69 which disrupts the ice binding surface.