1. Conformational Flexibility of Human Casein Kinase Catalytic Subunit Explored by Metadynamics 
Aurélie Gouron, Anne Milet, Helene Jamet 
Biophysical Journal 
Volume 106, Issue 5, Pages (March 2014)
DOI: /j.bpj
Copyright © 2014 Biophysical Society Terms and Conditions

2. Figure 1
Overview of the flexible regions near the ATP binding site of the catalytic subunit of protein kinase in the totally active conformation (PDB: 2PVR). (a) Two conformations are superposed: in blue the collapsed p-loop, in green the stretched p-loop conformation. (b) The two conformations superposed are the closed and the open hinge region conformation respectively in blue and green. Figures were prepared with PYMOL (DeLano Scientific, San Carlos, CA, To see this figure in color, go online.
Biophysical Journal  , DOI: ( /j.bpj )
Copyright © 2014 Biophysical Society Terms and Conditions

3. Figure 2
FES reconstructed as a function of s and z of the p-loop equilibrium. The energy separation between contours is 2 kcal/mol. Basins A–E are referring to the conformations in Fig. 3, a–e. To see this figure in color, go online.
Biophysical Journal  , DOI: ( /j.bpj )
Copyright © 2014 Biophysical Society Terms and Conditions

4. Figure 3
(a–e) Steps of the p-loop collapse. Typical structure of basins A–E defined in Fig 2. Figures were prepared with PYMOL (DeLano Scientific, To see this figure in color, go online.
Biophysical Journal  , DOI: ( /j.bpj )
Copyright © 2014 Biophysical Society Terms and Conditions

5. Figure 4
FES reconstructed as a function of s and z of the hinge region equilibrium. The energy separation between contours is 2 kcal/mol. Basins A–D are referring to the conformations below the FES. Figures were prepared with PYMOL (Delano Scientific, To see this figure in color, go online.
Biophysical Journal  , DOI: ( /j.bpj )
Copyright © 2014 Biophysical Society Terms and Conditions

6. Scheme 1
Hypothetical equilibrium of CK2α proposed by Niefind et al. (9)
Biophysical Journal  , DOI: ( /j.bpj )
Copyright © 2014 Biophysical Society Terms and Conditions