Skip to main content
. Author manuscript; available in PMC: 2012 Jan 14.
Published in final edited form as: J Mol Biol. 2010 Nov 12;405(2):479–496. doi: 10.1016/j.jmb.2010.11.007

Figure 5.

Figure 5

Q-values between the experimental RDCs from PEG (A) and phage (B) and RDCs calculated by assuming that the open (substrate-free) and closed (TSA) structures are rapidly inter-converting. Q-value vary with the populations of the substrate-free form, Papo, and the transition state, 1-Papo, used to build the model. The lowest Q values are found between the two crystal states. Panels C & D: the RMSD of experimental Cα and Cβ chemical shifts and the chemical shifts predicted from the two state model using Shiftx (C) and Sparta (D).