TABLE I.
The Dynamics of COMP-like and Tb-like Structures
COMP-like model | Tb-like model | |
---|---|---|
Å | Å | |
RMSD bundle | 3.5 ± 0.73 | 2.96 ± 0.5 |
RMSD linkers | 4.34 ± 0.22 | 3.65 ± 0.29 |
RMSDd bundle | 0.8 ± 0.11 | 1.75 ± 0.17 |
RMSDd linkers | 4.14 ± 0.51 | 2.67 ± 0.22 |
The dynamics of COMP-like and Tb-like structures as represented by mean deviations of absolute coordinates (RMSD) and relative distances (RMSDd) for groups of identical residues on the linkers and S3 helices. The parameters represent distances between all five beta carbons of residues 106, 109, and 112 in the linkers, or residues 121, 125, and 129 forming the core of the bundle. Based on 500 frames separated by 1-ps time intervals.