Fig. 3: Clustering of CQ positions across all trajectories of the system, and the cluster populations relative to the top cluster.

A The relative populations of the top ten most populated clusters across the twenty 3D7-PfCRT CQ systems, and B their positions relative to the protein. Each color on the bar graph corresponds to the same colored CQ position on the protein with the most favorable binding position highlighted in blue on the structure. C Relative cluster population of Dd2-PfCRT, and their positions (D).