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Figure 5.
Fig. 5. 3D structures of tetrameric K3 and monomeric K3 in
the fibrillar state. The conformation of K3 in the fibrillar
state obtained by simulated annealing molecular dynamics by
using CNS. (A) Calculated ensemble of tetrameric structures of
K3 fibrils. (B) Ribbon model representation of tetrameric K3 in
parallel STAG(+1) conformation. (C) The conformation of one K3
structure in the fibrillar state. (D) Comparison of the
conformation of the K3 region in the crystal structure of native
 2-m.
Notably, the residues between Phe^22 and Ser^28 are flipped
relative to the crystal structure of native 2-m in the fibrillar
state.
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