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. 2021 Mar 5;10(3):199. doi: 10.3390/biology10030199

Table 2.

Docking-Predicted Binding Affinities (kcal/mol) for the Aβ templates 2BEG and 2MXU. For the 2BEG template: black—site 1, red—site 2, green—site 3.

Model 2MXU 2BEG
Diaportheone A1 Diaportheone A2 Diaportheone A1 Diaportheone A2
1 −8.0 −7.9 −10.3 −11.0
2 −5.8 - −8.7 −8.6
3 −6.8 −6.6 −9.7 −10.1
4 −8.3 −8.5 −6.8 −6.6
5 −6.6 −6.2 −8.8 −8.9
6 −7.3 −6.9 −10.4 −9.7
7 - - −8.3
−8.1
−8.4
−7.4
8 −7.1 −7.1 −7.8
−10.7
−7.6
−10.8
9 −7.5 −7.2 −9.1 −8.8
10 −7.4 −7.4 −8.8 −8.6