Figure 8.

Results of MD simulation of the Michaelis complex. The structures are shown at the 100 ns point of simulation for each triplicate of the chosen target protease. The Iripin-5 (magenta) structures are aligned to show the RCL dynamics. Triplicates are distinguished by different colours for the target protease: neutrophil elastase, blue, green and yellow; proteinase 3, grey, orange and yellow. The Iripin-5 RCL is also distinguished in a corresponding colour to the interacting protease. A detailed view of the Michaelis complex interfaces is presented in Supplementary Fig. S6.