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. 2018 Apr 10;114(7):1646–1656. doi: 10.1016/j.bpj.2018.02.015

Figure 4.

Figure 4

Atomistic ribbon structure representations of the protein structures at the end of the 40 ns simulation. Red is cTnC 1–90, blue is cTnI 148–174 or ssTnI 115–140, and yellow spheres represent the calcium ion bound to cTnC site II. (A) Shown are cTnI-cTnC starting structures from PDB: 1J1E with key motifs labeled; amino acid position 164 is highlighted in yellow for reference. (B) Shown are HSP (histidine protonated) and HSD (histidine deprotonated) final 40 ns ribbon structures for each of the cTnI structures. In the lower right of each ribbon structure is a simplified stick figure representation of the orientation between the cTnC A helix (red) and the TnI switch peptide and helix 4 (blue). To see this figure in color, go online.