3LB9

crystal structure of the b. circulans cpa123 circular permutant

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 68
  • Norm. En. per Res.: -2.5001
• Hub Node: A(2)

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	-20.2029	0.0	-149.803	-170.0059	68	14	0	5182	0	2	1
A-C	-4.7272	0.0	-44.1927	-48.9199	52	3	2	2614	0	0	0
B-C	0.0	0.0	-0.9448	-0.9448	18	0	0	218	0	0	4

Interface residues

• A-B: ALA180B, ARG154A, ARG154B, ARG177A, ARG177B, ASN100A, ASN100B, ASN126A, ASN126B, ASN128A, ASN128B, ASN179A, ASN179B, ASN97A, ASN97B, ASP76B, GLN54A, GLN54B, GLU51B, GLY127A, GLY127B, GLY129A, GLY129B, GLY151A, GLY151B, GLY157A, GLY157B, GLY52A, GLY52B, GLY78A, GLY78B, GLY79A, GLY79B, GLY99A, GLY99B, ILE80B, LYS14A, LYS14B, PRO125A, PRO125B, PRO155A, PRO155B, SER55A, SER55B, SER56A, SER56B, SER96A, SER96B, THR152A, THR152B, THR156A, THR156B, THR98A, THR98B, TRP150A, TRP150B, TRP95A, TRP95B, TYR130A, TYR130B, TYR153A, TYR153B, TYR173B, TYR178A, TYR178B, TYR53A, TYR53B, VAL10A
• A-C: ALA120C, ALA124A, ALA124C, ASN119C, ASN126A, ASN20C, ASN60A, ASN60C, ASN82A, ASN85C, ASN90A, ASN90C, ASN94A, ASN94C, ASN97A, GLY121A, GLY121C, GLY127A, GLY18C, GLY57A, GLY86C, GLY88C, ILE80A, LYS105C, LYS14A, PRO125A, SER19C, SER55A, SER56A, SER58A, SER58C, SER59A, SER59C, SER87C, SER92A, SER92C, SER96A, THR17A, THR17C, THR62C, TRP123A, TRP123C, TRP64C, TRP95A, TYR91A, TYR91C, VAL122A, VAL122C, VAL61C, VAL84C, VAL93A, VAL93C
• B-C: ALA124B, ALA124C, ASN126C, GLN12B, GLY151B, LYS14B, LYS14C, PRO125B, PRO125C, PRO16B, PRO16C, SER13B, SER58C, THR152B, THR152C, TRP123B, TRP123C, VAL122C