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. 2014 Feb 4;136(8):3097–3107. doi: 10.1021/ja410860n

Figure 13.

Figure 13

A-loop orientations and contact maps. (A) The A-loop orientation from the P-II crystal structure (3E8K), the four salt bridges between E292-R294 are numbered. D290 residues are colored purple, E292 residues are colored pink, and R294 is cyan. The coloring of the subunits is as follows, A-blue, B-red, C-gray, D-orange, E-yellow, F-olive. (B) The A-loop orientation in the H-I crystal structure (2FS3), same coloring as in (A). (C–E) Contact maps for the structures from our energy minimized pathway. Contacts were computed by calculating the separation between the center of geometry of the side chains of residues 288–306. A contact was considered to be formed if the separation was less than 8 Å. The maps were computed for states representative of the P-II state (bead 0, shown in C), the EI state (bead 76, shown in D) and the H-I state (bead 119, shown in E).