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. Author manuscript; available in PMC: 2022 Apr 15.
Published in final edited form as: J Phys Chem Lett. 2021 Apr 1;12(14):3509–3513. doi: 10.1021/acs.jpclett.1c00223

Figure 2.

Figure 2.

Resulting PMF for tropomyosin segment pulling in the linker (black) and overlap (red). The CV defined in both simulations is the center of mass of a subset of α carbons from the Tm chain (linker: Tm residues 180 to 220; overlap: Tm residues 266 to 284 from the C-terminal chain and residues 1 to 35 from the N-terminal chain) shown here as a distance in angstroms. A CV value of zero denotes the final M-state. The free energy (ΔG) is given in units of kcal/mol.