Table 1: Predicted binding affinities (kcal/mol).

Docking modeApo pyoverdineFerric pyoverdineFerric enterobactin
TrimerMonomerTrimerMonomerTrimer

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