Figure 4.

NMR studies of TIR-containing CC domains. (A) tirS CC in 50 mM Na₂HPO₄, 500 mM NaCl, pH 6.5. (B) tirA CC in 50 mM Na₂HPO₄, 50 mM NaCl, pH 6.5. (C) tirE CC in 50 mM Na₂HPO₄, 150 mM NaCl, pH 6.5. (D) CA chemical shift propensities (δΔ CA) of tirE-CC were calculated by the CA chemical shift for each residue type and subtracting random coil CA resonance reported for that same residue type at the BMRB (http://www.bmrb.wisc.edu/, accessed on 30 May 2022). Secondary structure predictions of helices (blue barrel) are shown, as predicted by CSI version 2.0 [36]. (E) Proposed secondary structure based on the chemical shift propensities of tirE-CC. (F) Top five structures determined from CS-Rosetta with α-helices predicted from experimental chemical shifts (red) and electrostatic surface representation (red is negative charge, blue is positive charge), shown below as calculated in Molmol [37].