3P8S

crystal structure of single chain recombinant jacalin showing highly dynamic posttranslational excission loop that reduces binding affinity

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 81
  • Norm. En. per Res.: -5.3409
• 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	-113.0552	-35.4181	-284.138	-432.6114	81	14	11	10508	4	6	6

Interface residues

• A-B: ALA1B, ASN129A, ASN129B, ASN134A, ASN134B, ASP29A, CYS150B, GLN8A, GLN8B, GLU133A, GLU133B, GLU91A, GLU91B, GLY125A, GLY125B, GLY135A, GLY135B, GLY13A, GLY13B, GLY142A, GLY142B, GLY16A, GLY16B, ILE11A, ILE11B, ILE132A, ILE132B, ILE137A, ILE137B, LEU130A, LEU130B, LEU136A, LEU136B, LEU155A, LEU155B, LEU157A, LEU157B, LYS111A, LYS111B, LYS141A, LYS141B, LYS18A, LYS18B, MET153A, MET153B, MET90A, MET90B, PHE128A, PHE128B, PHE151A, PHE151B, PRO127A, PRO127B, PRO131A, PRO131B, PRO14A, PRO14B, SER152A, SER152B, SER156A, SER156B, SER7A, SER7B, THR126A, THR126B, THR96A, THR96B, THR9A, THR9B, TRP15A, TRP15B, TYR154A, TYR154B, TYR95A, TYR95B, VAL10A, VAL10B, VAL12A, VAL12B, VAL92A, VAL92B