3QRC

the crystal structure of ail, the attachment invasion locus protein of yersinia pestis, in complex with the heparin analogue sucrose octasulfate

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 69
  • Norm. En. per Res.: -2.2126
• Hub Node: A(1)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-10.7804	-14.6663	-127.22	-152.6667	69	5	6	5358	0	15	12

Interface residues

• A-B: ALA101B, ALA142B, ALA145B, ALA178A, ALA37A, ARG106B, ARG181A, ARG53A, ARG77A, ARG78A, ASN108B, ASN154A, ASN51A, ASN56A, ASN64B, ASN65B, ASP66B, ASP93A, GLN38A, GLN75A, GLU109B, GLU162B, GLY102B, GLY115B, GLY118B, GLY144B, GLY146B, GLY177A, GLY179A, GLY35A, GLY54A, GLY68B, GLY79A, HIS152A, ILE107B, ILE32A, ILE34A, LEU113B, LEU116B, LEU117B, LEU141B, LEU176A, LEU57A, LYS165B, LYS95A, PHE105B, PHE155A, PHE182A, PHE55A, PHE63B, PHE73A, PRO103B, PRO52A, SER112B, SER33A, SER39A, THR100B, THR76A, TRP67B, TYR110B, TYR114B, TYR143B, TYR161B, TYR163B, TYR180A, TYR36A, TYR97A, VAL104B, VAL111B