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Figure 1.
Figure 1. Structural Ensemble and Sequence Alignment of
PD22as(A) Structural ensemble of PDZ2as (stereo diagram);
secondary structures are indicated by cyan (b strand) and pink
(a helix).(B) Protection of amides from H/D exchange. Amides are
depicted as spheres; red spheres indicate amides with high
protection factors, orange spheres, those with intermediate
protection factors, and yellow spheres represent amide with low
protection factors. Gray spheres indicate amides with complete
solvent exchange within the experimental dead time of 20 min.(C
and D) Structural superposition of PDZ2as (blue) with PDZ2
(red). The orientation of the a2 helices differ by vert,
similar 20° (shown as cylinders) while that of the b2 strands
remain the same (shown as arrows).(E) PDZ2as (PDB code 1ozi)
sequentially aligned with GRIP (1m5z), CASK (1kwa), PSD-95
(1bfe), and DglA (1pdr). The alignments were performed on each
domain with a maximal displacement of 7 Å for each pair of C^a
atoms and a global RMS limit of 4 Å. Protein regions that are
structurally similar to PDZ2as are indicated by underlining.
Secondary structures of both PDZ2 and PDZ2as complexes are
colored as in (A). The 5 residue insertion is boxed in gray.
Numbering schemes are given for PDZ2as (blue) and, for
reference, PDZ2 (red).
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