Table 3.
Transition | Rmsd(Å) | Screw- rotation angle(°) |
||||||
---|---|---|---|---|---|---|---|---|
α1 | α2 | β1 | β2 | α1β1 | α2β2 | α1β1α2β2 | ||
COHb S(R)-COHb A(R) | 0.17 | 0.17 | 0.19 | 0.19 | 0.21 | 0.21 | 0.24 | 0.9 |
COHb S(R)-COHb S(R2) | 0.69 | 0.69 | 0.45 | 0.43 | 0.61 | 0.61 | 1.61 | 11.2 |
COHb A(R)-COHb S(R2) | 0.63 | 0.64 | 0.42 | 0.42 | 0.55 | 0.56 | 1.64 | 12.1 |
COHb S(R)-DxHb S(T) | 0.48 | 0.48 | 0.75 | 0.89 | 0.81 | 0.75 | 2.37 | 14.2 |
COHb A(R)-DxHb S(T) | 0.48 | 0.49 | 0.79 | 0.91 | 0.91 | 0.81 | 2.37 | 13.9 |
COHb S(R2)-DxHb S(T) | 0.70 | 0.72 | 0.82 | 1.01 | 1.02 | 1.01 | 2.59 | 21.6 |