3T1D

the mutant structure of human siderocalin w79a, r81a, y106f bound to enterobactin

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 58
  • Norm. En. per Res.: -2.0273
• 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	-38.7019	38.5819	-117.463	-117.583	58	4	0	4801	0	18	10
B-C	-8.1089	-6.9471	-86.5225	-101.5785	71	4	1	4801	1	12	6

Interface residues

• A-B: ALA10A, ALA79B, ARG130A, ARG72B, ASN129A, ASN164A, ASN39A, ASN65B, ASP173B, ASP177B, ASP6A, ASP77B, CYS175B, CYS76B, GLN128A, GLN174B, GLU131A, GLU57B, GLY102A, GLY160A, GLY178B, GLY29B, HIS165A, ILE172B, ILE176B, ILE55B, ILE80B, ILE8A, LEU13A, LEU42A, LEU70B, LEU7A, LYS124A, LYS125A, LYS15A, LYS30B, LYS73B, LYS74B, LYS75B, PHE71B, PRO11A, PRO12A, PRO162A, PRO9A, SER105A, SER127A, SER3A, SER5A, SER68B, THR104A, THR4A, THR67B, TYR132A, TYR56B, TYR78B, VAL126A, VAL66B, VAL69B
• B-C: ARG109B, ARG109C, ASN25B, ASN96B, ASN96C, ASP24B, ASP61B, ASP61C, GLN23B, GLN88B, GLN88C, GLU131B, GLU60B, GLU60C, GLU91B, GLU91C, GLY86B, GLY86C, GLY90B, GLY95B, GLY95C, ILE97B, ILE97C, LEU103B, LEU103C, LEU107B, LEU107C, LEU13B, LEU13C, LEU18B, LEU58B, LEU94B, LEU94C, LYS124B, LYS124C, LYS125B, LYS125C, LYS59C, LYS62B, LYS62C, LYS98B, LYS98C, PHE106B, PHE106C, PHE122B, PHE22B, PHE92B, PHE92C, PRO85B, PRO85C, PRO89B, PRO89C, SER105B, SER105C, SER14B, SER14C, SER63B, SER63C, SER87B, SER87C, SER99B, SER99C, THR104B, THR104C, THR93B, THR93C, VAL108C, VAL126B, VAL126C, VAL84B, VAL84C