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. 2011 Jun 8;100(11):2548–2556. doi: 10.1016/j.bpj.2011.04.036

Table 1.

Simulations performed

Name Type Residues Channel Atoms Time
5A Comp. 1–164 5 Å cyl. 23,232 10 ns
5B Comp. 165–329 5 Å cyl. 23,142 10 ns
5C Comp. 330–494 5 Å cyl. 24,988 10 ns
7A Comp. 1–164 7 Å cyl. 31,811 10 ns
7B Comp. 165–329 7 Å cyl. 32,721 10 ns
7C Comp. 330–494 7 Å cyl. 33,800 10 ns
9A Comp. 1–164 9 Å cyl. 34,186 10 ns
9B Comp. 165–329 9 Å cyl. 32,077 10 ns
9C Comp. 330–494 9 Å cyl. 31,787 10 ns
CD0 Trans. 1–100 CD0 69,664 52 ns
Equil. Equil. 1–164 60 cyls. 2445 447 ns

The first nine (Comp.) are simulations of unfolded flagellin being compressed in a cylinder (cyl.). The 10th simulation (Trans.) models flagellin translocation through the flagellum channel. The Equil. group of 60 simulations equilibrate flagellin segment A in cylinders of different geometries; these simulations employed an implicit solvent description.