Table 1.

Predicted binding affinities (kcal/mol).

Docking mode	Apo pyoverdine		Ferric pyoverdine		Ferric enterobactin
	Trimer	Monomer	Trimer	Monomer	Trimer
1	−6.9	−6.5	−9.2	−8.9	−11.8
2	−6.8	−6.4	−9.1	−8.4	−11.3
3	−6.8	−6.3	−8.7	−8.3	−10.9
4	−6.7	−6.3	−8.6	−8.2	−10.9
5	−6.6	−6.3	−8.6	−8.2	−10.8
6	−6.6	−6.0	−8.3	−8.1	−10.5
7	−6.5	−5.9	−8.3	−8.0	−10.4
8	−6.5	−5.8	−8.3	−7.9	−9.8
9	−6.4	−5.8	−8.2	−7.6	−9.7