Figure 8

Average structures from the first and last 10-ps intervals of the 1-ns Tyr66 backbone E-to-L and L-to-E induced transitions. Structures with the Tyr66 backbone in the "E" conformation are in yellow and in the "L" conformation are in red. Average structures were calculated after all-atom RMS alignment of all snapshots with respect to the relative crystal structure. The average structures have been RMS aligned to each other using the C_α atoms of the structurally invariant residues 6 to 55. A) The E-to-L transition as performed from the last snapshot from the 10-ns 2SHP:N-SH2 molecular dynamics simulations. B) The L-to-E transition as performed from the last snapshot from the 10-ns 1AYD:N-SH2 molecular dynamics simulation.