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.