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. 2020 Oct 22;334:109300. doi: 10.1016/j.cbi.2020.109300

Table 5.

AutoDock-predicted binding energies (kcal/mol) of the clustered orientations with 2LMN and 2MXU fibril models.


Mode
2LMN
2MXU

CO SA CH CO SA CH Color
1 −12.12 −12.16 −10.93 −10.41 −11.76 −10.89 Purple
2 −11.90 −10.71 −10.83 −9.70 −10.92 −10.36 Magenta
3 −10.07 −10.50 −9.83 −8.71 −10.09 −9.73 Red
4 −10.00 −10.37 −9.71 −7.14 −9.98 −7.96 Yellow
5 −9.97 −9.94 −9.60 −6.34 −7.87 Cyan
6 −8.84 −9.56 −7.80 Teal
7 −8.78 −9.42 Blue
8 −8.37 −8.15 Green
9 −6.72 −6.95 Darkgrey
10 −6.21 Lightgrey