The SVD Analysis of F46V
This figure shows the first left singular vector for the distal
histidine in the time averaged refinement for F46V. This vector
describes greater than 90% of the total motion of the histidine. This
histidine also ranked second on the list of residues sorted by
increasing coefficient of kurtosis.
The movie shows an animation of the "configuration space" of the
distal histidine over the course of the time averaged simulation. The
atoms of the histidine were projected long the first 3 left singular
vectors, giving the first 3 right singular vectors. This is then shown
as a point moving in this new basis set. The point can be seen moving
from its initial position to an open conformation, then swinging back
and forth between the equillibrium closed and open conformations.