Table 1.
Average internal RMSD values (±SD) during the solution and membrane-binding simulations of talin
Structure | Solution | Membrane |
---|---|---|
F2 subdomain | 0.96 ± 0.10 | 2.18 ± 1.48 |
F3 subdomain | 1.91 ± 1.38 | 2.31 ± 1.82 |
MOP/anchor | ||
Backbone only | 0.82 ± 0.09 | 1.18 ± 1.09 |
All heavy atoms | 1.03 ± 0.11 | 10.36 ± 0.77 |
Shown for the F2 subdomain backbone (residues 206–306), the F3 subdomain backbone (residues 312–408), and the MOP/Phe-rich anchor region (residues 250–290). In each calculation, the reference structure was given by the first frame of the trajectory and the protein backbone was superimposed on the reference each frame. The RMSD was calculated every 0.05 ns for the last 10 ns of each trajectory and then averaged across all five membrane-binding trajectories.