Movie S1.

Motions of α-carbons (colored spheres) in the largest nonzero principal component of the MD trajectory. The active site is indicated using brightly colored spheres, using the same color code as in Fig. 2. The chain colors are the same as the Inset of Fig. 2. The movie was created using PyMOL (7).

Conformational dynamics of a crystalline protein from microsecond-scale molecular dynamics simulations and diffuse X-ray scattering

Michael E. Wall, Andrew H. Van Benschoten, Nicholas K. Sauter, Paul D. Adams, James S. Fraser, and Thomas C. Terwilliger

PNAS. 2014. 111:17887-17892 DOI: 10.1073/pnas.1416744111