1OUW

crystal structure of calystegia sepium agglutinin

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 114
  • Norm. En. per Res.: -4.1102
• 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	-80.7756	-25.9619	-361.821	-468.5585	114	11	5	14173	0	10	10
B-C	-37.4285	-11.5263	-54.783	-103.7378	62	8	1	3683	2	3	5
C-D	-85.2581	-27.711	-368.533	-481.5021	118	12	5	14242	0	12	11

Interface residues

• A-B: ALA145A, ALA145B, ALA44B, ARG138A, ARG138B, ARG151A, ARG151B, ARG23A, ARG23B, ASN14A, ASN14B, ASN150A, ASN150B, ASN15A, ASN15B, ASN18A, ASN18B, ASN26A, ASN26B, ASP144A, ASP144B, ASP53A, ASP57A, ASP57B, ASP6A, ASP6B, GLY10A, GLY10B, GLY134A, GLY134B, GLY137A, GLY137B, GLY13A, GLY13B, GLY140A, GLY140B, GLY147A, GLY147B, GLY16A, GLY16B, GLY17A, GLY17B, GLY62A, GLY62B, GLY63A, GLY63B, GLY64A, GLY64B, ILE146A, ILE146B, ILE59A, ILE59B, ILE69B, ILE8A, ILE8B, LEU136A, LEU136B, LEU45B, LYS51A, LYS56A, LYS56B, MET5A, MET5B, PHE135A, PHE135B, PHE19A, PHE19B, PHE22A, PHE22B, PHE47A, PHE47B, PHE90A, PHE90B, PRO11A, PRO11B, PRO24A, PRO24B, PRO4A, PRO4B, SER139A, SER139B, SER21A, SER21B, SER48A, SER48B, SER49A, SER49B, SER55A, SER55B, THR46A, THR46B, THR58A, THR58B, THR60A, THR60B, THR7A, THR7B, TRP12A, TRP12B, TRP20A, TRP20B, TYR141A, TYR142A, TYR149A, TYR149B, VAL133A, VAL133B, VAL143A, VAL25A, VAL25B, VAL3A, VAL3B, VAL61A, VAL61B
• B-C: ALA110B, ALA110C, ALA125C, ARG100C, ASN126C, ASN40B, ASP80C, GLN116B, GLN116C, GLU73B, GLU81B, GLY112B, GLY112C, GLY115B, GLY115C, GLY119C, GLY38B, GLY39B, GLY78C, GLY85C, GLY88C, GLY91C, HIS111B, HIS111C, ILE102B, ILE33B, ILE86C, ILE92C, LEU108B, LYS109B, LYS109C, LYS117B, LYS117C, MET74B, PHE104B, PHE122C, PHE90C, PRO113B, PRO113C, PRO121C, SER101B, SER101C, SER123C, SER124C, SER87B, SER87C, THR103B, THR103C, THR105B, THR105C, THR106B, THR120C, THR72B, THR79C, THR89C, TRP12C, TYR114B, TYR1B, TYR35B, VAL118B, VAL118C, VAL75B
• C-D: ALA145C, ALA145D, ALA44D, ALA52C, ALA52D, ARG138C, ARG138D, ARG151C, ARG151D, ARG23C, ARG23D, ASN14C, ASN14D, ASN150C, ASN150D, ASN15C, ASN15D, ASN18C, ASN18D, ASN26C, ASN26D, ASP144C, ASP144D, ASP53C, ASP53D, ASP57C, ASP57D, ASP6C, ASP6D, GLY10C, GLY10D, GLY134C, GLY134D, GLY137C, GLY137D, GLY13C, GLY13D, GLY140C, GLY140D, GLY147C, GLY147D, GLY16C, GLY16D, GLY17C, GLY17D, GLY62C, GLY62D, GLY63C, GLY63D, GLY64C, GLY64D, GLY65D, ILE146C, ILE146D, ILE59C, ILE59D, ILE69C, ILE8C, ILE8D, LEU136C, LEU136D, LEU45D, LYS51C, LYS51D, LYS56C, LYS56D, MET5C, MET5D, PHE135C, PHE135D, PHE19C, PHE19D, PHE22C, PHE22D, PHE47C, PHE47D, PHE90C, PHE90D, PRO11C, PRO11D, PRO24C, PRO24D, PRO4C, PRO4D, SER139C, SER139D, SER21C, SER21D, SER48C, SER48D, SER49C, SER49D, SER55C, SER55D, THR46C, THR46D, THR58C, THR58D, THR60C, THR60D, THR7C, THR7D, TRP12C, TRP12D, TRP20C, TRP20D, TYR142C, TYR149C, TYR149D, VAL133C, VAL133D, VAL143C, VAL25C, VAL25D, VAL3C, VAL3D, VAL61C, VAL61D