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. 2015 Jun 11;20(6):10763–10780. doi: 10.3390/molecules200610763

Figure 4.

Figure 4

Representative conformations of the four main clusters in the transition temperature replica (T = 2.0) from the CABS-dock simulation of skeletal troponin. It shows transition states in the docking process of the TnI N-helix (N-terminal helix of troponin I) to troponin C. RMSD (root-mean-square deviation) values of the structures are: (a) RMSDbound = 11.2 Å and RMSDdomains = 9.4 Å; (b) RMSDbound = 13.1 Å and RMSDdomains = 4.8 Å; (c) RMSDbound = 3.6 Å and RMSDdomains = 2.6 Å; (d) RMSDbound = 3.4 Å and RMSDdomains = 4.5 Å.