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. 2021 Oct 27;433(24):167324. doi: 10.1016/j.jmb.2021.167324

Figure 5.

Figure 5

(A) Representative structures exhibiting the position of the E-loop in the lower position (PDB:7brpA (ligand-bound); green; PC1(E) = 3.712) and upper position (PDB:7bro (ligand-free); yellow; −4.201), drawn after superposition at the core region. The ligand of 7brpA is drawn as lines. HB 138–172 is formed in 7brpA and depicted as a blue dotted line, whereas 7bro does not form HB 138–172. (B) PC1(E) dependence of the probability of formation of hydrogen bonds. Solid curves are those for all chains and broken curves are for ligand-free chains. Black curves with circles are for HB143-28 defining the active state of the C-loop; red curves with squares are for HB 138–172 representing the interaction between the C-loop and E-loop. The total numbers of chains at each interval of PC1(E) are, in ascending order, 24, 27, 58, 105, 38, and 6 for all chains, and 23, 21, 23, and 20 for ligand-free chains (for ligand-free chains, data on intervals >1 are not presented because the number of chains is not sufficient to calculate statistics).