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. Author manuscript; available in PMC: 2010 Apr 30.
Published in final edited form as: J Phys Chem B. 2009 Apr 30;113(17):6041–6046. doi: 10.1021/jp808384x

Table 1.

Experimental and theoretical cross-sections for WT Aβ(21-30) and its mutant forms. Theoretical cross-sections are given for the central structure of the most populated cluster (see Table 2 for spread of values).

Mutant Charge
(pH 7)
Cross Sections
2)
Experimental* Theoretical** % Deviation
WT -1 227 231 1.73%
D23N 0 222.5 220 1.12%
E22G 0 210 208 0.95%
E22K +1 230 224 2.61%
E22Q 0 226 225 0.44%
S26I -1 229 233 1.75%
D23G 0 216 217 0.46%
*

Experimental cross sections correspond to the protein at pH 7. For proteins with a neutral charge, cross sections were taken for the +1 and -1 charge states and averaged.

**

Theoretical cross sections correspond to the protein at pH 7.