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. Author manuscript; available in PMC: 2016 Dec 1.
Published in final edited form as: Structure. 2015 Nov 19;23(12):2256–2266. doi: 10.1016/j.str.2015.10.011

Figure 5.

Figure 5

Conformational sub-states and global fluctuations associated with reactant-product inter-conversion identified using computational simulations and QAA. Top row shows wild-type and bottom row shows the A109G variant. The sub-states are identified using a mixture of Gaussians model (McLachlan and Basford, 1988). Mode 1 (displacement along γ1 axis) corresponds to the large-scale conformational fluctuation (or primary relaxation) associated with the reactant-product sub-states inter-conversion; similarly mode 2 (displacement along γ2 axis) corresponds to the secondary conformational fluctuation.