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. 2016 Oct 19;6(10):160139. doi: 10.1098/rsob.160139

Figure 4.

Figure 4.

Progressive docking poses of IAA (blue) and Trp (red). The residues that form the engagement niche are highlighted in violet; those that we identify later as forming a molecular filter are highlighted in orange. (a) The position of IAA at step 3 features the side-chain oriented towards the engagement niche. (b) The positions of IAA in steps 4–7 are superimposable, and show that the ring system is perpendicular to the bottom of the pocket. (c) The positions of Trp in steps 3–6 are superimposable. Its side-chain is oriented towards the niche, but the ring system is parallel, rather than perpendicular, to the pocket base. (d) At step 7, the side-chain of Trp is no longer in the niche, but points towards the pocket bottom. (e) At steps 8 and 9 (superimposable), IAA has moved towards the bottom of the pocket. (f) The positions of IAA at steps 10–15 are superimposable.