1QOT

lectin uea-ii complexed with fucosyllactose and fucosylgalactose

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 94
  • Norm. En. per Res.: -2.6877
• Hub Node: A(3)

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	-29.6218	9.779	-232.799	-252.6417	94	5	8	9917	1	16	9
A-C	0.0	-38.6347	556.501	517.8663	83	8	2	7256	0	12	3
A-D	0.0	8.8941	-6.3186	2.5754	10	0	0	308	0	0	3
B-C	0.0	8.4146	-4.8305	3.584	9	0	0	274	0	0	3
B-D	0.0	-37.4109	583.433	546.0221	82	13	2	7464	0	12	3
C-D	-28.5143	17.528	-221.412	-232.3984	93	8	8	9621	0	16	9

Interface residues

• A-B: ALA53A, ALA53B, ALA54A, ALA54B, ALA95A, ALA95B, ASN16A, ASN16B, ASN19A, ASN19B, ASN237A, ASN237B, ASN96A, ASN96B, ASN9A, ASN9B, ASP11A, ASP11B, ASP4A, ASP4B, ASP5A, ASP5B, ASP60A, ASP60B, GLN17A, GLN17B, GLN57A, GLN57B, GLU208A, GLU208B, GLY32A, GLY32B, ILE20A, ILE20B, ILE21A, ILE21B, ILE56A, ILE56B, ILE62A, ILE62B, LEU238A, LEU238B, LEU6A, LEU6B, LYS12A, LYS12B, LYS18A, LYS18B, LYS65A, LYS65B, PHE10A, PHE10B, PHE13A, PHE13B, PHE234A, PHE234B, PHE8A, PHE8B, PRO15A, PRO15B, PRO207A, PRO207B, PRO55A, PRO55B, PRO94A, PRO94B, SER236A, SER236B, SER3A, SER3B, SER61A, SER61B, SER7A, SER7B, THR235A, THR235B, THR30A, THR30B, THR31A, THR63A, THR63B, TRP209A, TRP209B, TRP59A, TRP59B, TYR233A, TYR233B, TYR52A, TYR52B, VAL14A, VAL14B, VAL210A, VAL210B, VAL28A
• A-C: ALA168A, ALA168C, ALA198A, ALA198C, ALA70A, ALA70C, ARG175A, ARG175C, ASN194A, ASN194C, ASP169A, ASP169C, ASP190A, ASP190C, ASP4C, CYS184A, CYS184C, GLY191A, GLY191C, ILE172A, ILE172C, ILE195A, ILE195C, ILE196A, ILE196C, LEU181A, LEU181C, LEU185A, LEU185C, LYS156A, LYS156C, LYS179A, LYS179C, PHE73A, PHE73C, PRO177A, PRO177C, PRO188A, PRO188C, SER180A, SER180C, SER186A, SER186C, SER189A, SER189C, SER193A, SER193C, SER199A, SER199C, SER231A, SER231C, SER72A, SER72C, SER74A, SER74C, THR173A, THR173C, THR178A, THR178C, THR182A, THR182C, THR192A, THR192C, THR197A, THR197C, THR235A, THR235C, THR71A, THR71C, TYR187A, TYR187C, TYR233A, TYR233C, VAL158A, VAL158C, VAL167A, VAL167C, VAL170A, VAL170C, VAL171A, VAL171C, VAL183A, VAL183C
• A-D: ASN237A, ASN237D, ASP4A, ASP4D, SER3A, SER3D, THR235A, THR235D, TYR233A, TYR233D
• B-C: ASN237B, ASN237C, ASP4B, ASP4C, SER3B, SER3C, THR235B, THR235C, TYR233C
• B-D: ALA168B, ALA168D, ALA198B, ALA198D, ALA70B, ALA70D, ARG175B, ARG175D, ASN194B, ASN194D, ASP169B, ASP169D, ASP190B, ASP190D, CYS184B, CYS184D, GLY191B, GLY191D, ILE145B, ILE172B, ILE172D, ILE195B, ILE195D, ILE196B, ILE196D, LEU181B, LEU181D, LEU185B, LEU185D, LYS156B, LYS156D, LYS179B, LYS179D, PHE73B, PHE73D, PRO177B, PRO177D, PRO188B, PRO188D, SER180B, SER180D, SER186B, SER186D, SER189B, SER189D, SER193B, SER193D, SER199B, SER199D, SER231B, SER231D, SER72B, SER72D, SER74B, SER74D, THR173B, THR173D, THR178B, THR178D, THR182B, THR182D, THR192B, THR192D, THR197B, THR197D, THR235D, THR71B, THR71D, TYR187B, TYR187D, TYR233B, TYR233D, VAL158B, VAL158D, VAL167B, VAL167D, VAL170B, VAL170D, VAL171B, VAL171D, VAL183B, VAL183D
• C-D: ALA53C, ALA53D, ALA54C, ALA54D, ALA95C, ALA95D, ASN16C, ASN16D, ASN19C, ASN19D, ASN237C, ASN237D, ASN96C, ASN96D, ASN9C, ASN9D, ASP11C, ASP11D, ASP4C, ASP4D, ASP5C, ASP5D, ASP60C, ASP60D, GLN17C, GLN17D, GLN57C, GLN57D, GLU208C, GLU208D, GLY32C, GLY32D, ILE20C, ILE20D, ILE21C, ILE21D, ILE56C, ILE56D, ILE62C, ILE62D, LEU238C, LEU238D, LEU6C, LEU6D, LYS12C, LYS12D, LYS18C, LYS18D, LYS65C, LYS65D, PHE10C, PHE10D, PHE13C, PHE13D, PHE234C, PHE234D, PHE8C, PHE8D, PRO15C, PRO15D, PRO207C, PRO207D, PRO55C, PRO55D, PRO94C, SER211C, SER211D, SER236C, SER236D, SER3C, SER3D, SER61C, SER61D, SER7C, SER7D, THR235C, THR235D, THR30C, THR30D, THR63C, THR63D, TRP209C, TRP209D, TRP59C, TRP59D, TYR233C, TYR233D, TYR52C, TYR52D, VAL14C, VAL14D, VAL210C, VAL210D