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Figure 2.
Figure 2. (a) Superposition of chignolin MD structures from
cluster having largest population (pink) on representative NMR
structure (ivory). Each MD structure represents center of
subcluster with probability of existence larger than 1%. Only
non-hydrogen atoms of residues 2-9 are shown. (b) Close-up views
of residues 3-8 of MD structures from cluster having largest
population. Backbone non-hydrogen atoms and side-chain
non-hydrogen atoms of Asp3 are shown with stick model. Carbon,
nitrogen, and oxygen atoms are colored gray, blue, and red.
Hydrogen bonds are indicated with dotted lines.
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