. Author manuscript; available in PMC: 2010 May 14.

Published in final edited form as: J Phys Chem B. 2009 May 14;113(19):6692–6702. doi: 10.1021/jp9016773

Table 2.

Structural clusters of Aβ_1–40 monomer

(a) InteractionsbetweentheNT and CR regions^‡

cluster	p^†	K(NT – CR)	H(CR)	S(CR)
CL1	0.31	8.0	0.41	0.27
CL2	0.18	7.4	0.46	0.22
CL3	0.19	7.0	0.53	0.12
CL4	0.12	6.7	0.54	0.13

(b) Interactions between the NT and CT regions^‡

cluster	p^†	K(NT – CT)	H(CT)	S(CT)	R_g, Å
CL1	0.19	5.8	0.10	0.37	14.3
CL2	0.31	5.4	0.10	0.38	14.1
CL3	0.12	4.2	0.14	0.33	15.0
CL4	0.18	3.0	0.20	0.18	15.4

^‡

although both tables list the same cluster distribution, the clusters are relabeled according to the changes in K(NT – CR) in (a) and in K(NT – CT) in (b)

^†

the fraction of structures included in the cluster