Table 1. Simulated annealing clustering results.

For each cluster the size is the number of endpoints and the spread the average RMSD between all endpoints composing this cluster. The spread can also be represented by the compactness of nodes in a dendrogram (see S1 Fig). a, the three members of this cluster are the first three endpoints.

CLUSTER	SIZE	SPREAD (Å)
Chain A
1	3a	5.3
2	29	1
3	167	0.5
Chain B
1	3	6.8
2	14	10.1
3	12	8.2
4	52	8.5
5	35	8.2
6	43	8.1
7	40	7.7