Figure 2. Determination of correlated inter-domain conformational heterogeneity in AK_e from RDCs.

(A) X-ray structure of substrate free open AK_e (pdb code 4ake). The CORE (yellow), LID (red) and AMPbd (cyan) domains are shown. The angles used to describe inter-domain conformational changes (see methods) are shown. (B) Inter-domain orientation distribution for AK_e. The robustness of the distributions against various sources of error is discussed in the Supporting Information. (C) Representative conformations for each basin are shown together with angles and their estimated populations; little structural heterogeneity occurs within basins. The uncertainties in the populations due to estimated experimental in the measurements of the RDCs and computational errors are estimated to 10%.