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In contrast to the unrefined model, the refined model has the thiol group of C286 interacting with W280 and Y333 via sulfur-aromatic interaction [17] and the guanidino group of R339 partially accessible to solvent.
In comparison to the previous model, the refined model gives qualitatively and quantitatively more accurate predictions of whole body growth, especially under widely fluctuating temperature conditions.
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At the end of the project, when the model was refined, only the most important variables remained.
In later rounds of refinement, the model was refined with amplitude based twin refinement.
J.W. built the initial model and refined the structures with X.Q. and X.L.
The model was refined against the 2.3 Å native data set.
The model was refined using the same strategy as that used for ANK repeats/AS.
The model was refined against the Se-Met dataset of ANK repeats/AS in PHENIX (Adams et al., 2002).
Simulation results are then compared with the experimental results and the model refined and improved accordingly.
The law was introduced in the program Phenix.refine [ 29] and the model was refined to give the statistics listed in Table 1.
The model sequence was adjusted with COOT [ 48] and the model refined with REFMAC5 [ 49].
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