. 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 1.

Aggregation interfaces in Aβ dimers^‡ ^†

(a) Numbers of interpeptide side chain contacts < C_d(s1,s2) > in Aβ_1–40 dimer

	NT	CR	CT
NT	4.7	5.3	3.3
CR		6.2 (0.41)	3.6 (0.24)
CT			1.9 (0.12)

(b) Numbers of interpeptide side chain contacts < C_d(s1,s2) > in Aβ_10–40 dimer

	CR	CT
CR	8.3 (0.41)	4.8 (0.24)
CT		2.3 (0.11)

^‡

s1 and s2 denote sequence regions NT, CR, or CT. Due to exhaustive REMD sampling < C_d(s1,s2) >≈< C_d(s2,s1) >.

^†

numbers in parenthesis indicate the fractions of (s1,s2) contacts computed with respect to the total number of interpeptide contacts formed by the CR and CT regions in the 10–40 fragment of the dimer.