Fig. 2.

Application of the building block trajectory analysis for six different compounds as shown for a single channel snapshot. Three known substrates (black lines) and one inhibitor (blue line) have successfully been transported along the building block model and reached the active site region (d < 6 Å), thus predicted to be likely substrates. Two poor substrates (red lines) have unfavorable trajectories at the bottleneck region (d = 12-17 Å), thus predicted to be unlikely substrates. (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)