Figure 4.

Comparison of the Structural Models Generated from Different Starting Models and from a Single One

(A) The 10 structures generated from simulated annealing from different starting structures (r0–r9) colored according to the average structural divergence of that model from the other models. The colors are scaled from green, indicating very little structural variation, to red, indicating large structural variation.

(B) The 10 structures all generated from the “1” starting structure (10–19) and colored as in (A).

(C) Dendrogram constructed by neighbor joining from the pairwise structural variation matrix in Figure S4C from distances between structures in (A). Adding the branch scores along the path between two structures equates to the structural deviation between them in angstroms. Colored boxes show the minimum distance between structures, so that two red structures are at least 40 Å apart and two blue structures are at least 10 Å apart. The colors are the same as the structures in (A).

(D) Dendrogram constructed by neighbor joining from the pairwise structural variation matrix in Figure S4D from distances between structures in (B). The scale and coloring scheme is the same as in (C) and the dendrogram shows that smaller average distances occur between models when starting from the same structure than between those when starting from different structures.

See also Figure S4.