Figure 4.

Dynamics within subunit during 150-ns simulation. (A) C^α-RMSF of subunits A (green) and B (purple). Calculation of C^α-RMSF for each subunit was performed, based on superposition using C^α best fits for its own subunit. Horizontal line indicates threshold value (1.2 Å) of C^α-RMSF, which is used in classification of segments into rigid segments (blue; residues 1–21, 64-87, 108–113, 120–125, 157–164, 198–207, and 213–229) and the others (red). Assignments of secondary structures are also shown in schematic diagram along top of A. (B) Rigid segments (blue) and others (red) of a subunit. All rigid segments are located at center of subunit, and constitute one rigid part of the subunit.