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Exact(14)
The average structure was separated into COMP (UNAcP-NAG), LIG (NAGs) and PTN (UNAcP), and each was, finally, optimized again.
The energy-minimized average structure was chosen as the MMDS-refined 3D model.
An average structure was obtained with Weatsheaf (25).
Thus, the average structure was in good agreement with the observed NOE intensities.
An average structure was further refined using a steepest descent energy minimization.
So, a representative average structure was generated for this time period.
Similar(46)
The shape of the average structure is similar to what is expected from the current structural model (Worrall et al., 2011); the main components of the basal body were assigned as YscC and YscDJ rings following this nomenclature and the secretin YscC was assumed inserted into the outer membrane.
The lattice parameters of the average structure are strongly affected by the regularity of the stacking sequence, i.e., by the volume fraction of the two-layer nanotwins and their distribution.
The average structure is a combination of the two settings, and this combination is C-centered.
These local correlations persist in the commensurate high temperature (HT) phase, where the long-range average structure is nonpolar.
The refined structures are overlaid in Figure 8B, and an expanded view of the adduct region of the average structure is shown in Figure 9C.
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