MD code | GBSA | |||
---|---|---|---|---|
 | E_GAS | EGB | ΔGbind | STD |
C1 | PqsD + ACoA ( chain B ) | |||
−308 | 196 | − 111 | 14 | |
C2 | PqsD + ACoA ( chain A ) | |||
−32 | −50 | − 82 | 8 | |
PqsD + ACoA ( chain B ) | ||||
25 | −88 | − 63 | 7 | |
E1 | PqsD- CSJ + single β K, primary funnel ( chain A ) | |||
−44 | 17 | − 27 | 2.5 | |
E2a | PqsD- CSJ + single β K, secondary channel ( chain A ) | |||
15 | −42 | − 27 | 6 | |
E2b | PqsD- CSJ + β K in secondary channel ( chain A ) | |||
−7 | −37 | − 44 | 5 | |
PqsD- CSJ + β K in secondary channel ( chain B ) | ||||
 | 6 | −32 | − 26 | 6 |
F | PqsD + HHQ ( chain B ) | |||
 | −54 | 14 | −40 | 3 |