2G2P

crystal structure of e.coli transthyretin-related protein with bound zn and br

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 42
  • Norm. En. per Res.: -3.7838
• 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	-82.3733	79.0509	-299.557	-302.8795	98	15	6	11094	0	26	26
A-C	0.0	11.8575	-74.6262	-62.7687	52	6	4	4005	0	8	15
A-D	-22.7275	0.0	-136.194	-158.9215	42	3	0	4086	0	2	0
B-C	-22.3694	0.0	-136.523	-158.8924	42	2	0	4150	0	2	0
B-D	0.0	4.7459	-69.8173	-65.0714	49	5	4	3658	0	8	16
C-D	-90.861	64.5395	-333.598	-359.9196	104	13	6	11390	0	26	27

Interface residues

• A-B: ARG112A, ARG112B, ARG63A, ARG63B, ASN32B, ASN91A, ASN91B, ASP61A, ASP61B, ASP70A, GLN105A, GLN105B, GLN13A, GLN13B, GLU78A, GLU78B, GLU83A, GLU83B, GLU87A, GLU87B, GLU95A, GLU95B, GLY107A, GLY107B, GLY113A, GLY113B, GLY33B, GLY60A, GLY60B, GLY69A, GLY69B, HIS89A, HIS89B, HIS96A, HIS96B, HIS98A, HIS98B, ILE84A, ILE84B, ILE90A, ILE90B, LEU101A, LEU101B, LEU102A, LEU102B, LEU6A, LEU6B, LYS29A, LYS29B, LYS67A, LYS67B, LYS73A, PHE66A, PHE66B, PHE72A, PHE80A, PHE80B, PHE81A, PHE81B, PHE88A, PHE88B, PRO100A, PRO100B, PRO82A, PRO82B, PRO85A, PRO85B, SER104A, SER104B, SER109A, SER109B, SER79A, SER79B, SER7A, THR110A, THR110B, TRP34A, TRP34B, TYR106A, TYR106B, TYR108A, TYR108B, TYR111A, TYR111B, TYR62A, TYR62B, TYR97A, TYR97B, VAL64A, VAL64B, VAL65A, VAL65B, VAL86A, VAL86B, VAL8A, VAL8B, VAL99A, VAL99B
• A-C: ALA19C, ARG112A, ARG112C, ARG47A, ARG47C, ASN12A, ASN12C, ASN91A, ASP45A, ASP45C, GLN13A, GLN13C, GLN3C, GLU95A, GLU95C, GLY113A, GLY113C, GLY16A, GLY16C, GLY46A, GLY46C, HIS96A, HIS96C, HIS98A, HIS98C, HIS9A, HIS9C, ILE10A, ILE10C, LEU102A, LEU102C, LEU11A, LEU11C, LYS17A, LYS17C, LYS92A, LYS92C, PRO100A, PRO100C, PRO18A, PRO18C, SER109A, SER109C, SER114A, SER114C, THR110A, THR110C, THR15A, THR15C, TYR111A, TYR111C, TYR97A
• A-D: ASN12A, ASN12D, GLN105A, GLN105D, GLN13A, GLN13D, GLN14A, GLN14D, GLU78A, GLU78D, GLY107A, GLY107D, GLY16A, GLY16D, LEU102A, LEU102D, LEU103A, LEU103D, LEU11A, LEU11D, LEU77A, LEU77D, LYS17A, LYS17D, PHE72A, PHE72D, PHE80A, PHE80D, PHE81A, PHE81D, SER104A, SER104D, SER109A, SER109D, SER79A, SER79D, THR15A, THR15D, TYR106A, TYR106D, TYR108A, TYR108D
• B-C: ASN12B, ASN12C, GLN105B, GLN105C, GLN13B, GLN13C, GLN14B, GLN14C, GLU78B, GLU78C, GLY107B, GLY107C, GLY16B, GLY16C, LEU102B, LEU102C, LEU103B, LEU103C, LEU11B, LEU11C, LEU77B, LEU77C, LYS17B, LYS17C, PHE72B, PHE72C, PHE80B, PHE80C, PHE81B, PHE81C, SER104B, SER104C, SER109B, SER109C, SER79B, SER79C, THR15B, THR15C, TYR106B, TYR106C, TYR108B, TYR108C
• B-D: ALA19D, ARG112B, ARG112D, ARG47B, ARG47D, ASN12B, ASN12D, ASP45B, ASP45D, GLN13B, GLN13D, GLU95B, GLU95D, GLY113B, GLY113D, GLY16B, GLY16D, GLY46B, GLY46D, HIS98B, HIS98D, HIS9B, HIS9D, ILE10B, ILE10D, LEU101B, LEU101D, LEU102B, LEU102D, LEU103B, LEU11B, LEU11D, LYS17B, LYS17D, PRO100B, PRO100D, PRO18B, PRO18D, SER109B, SER109D, SER114B, SER114D, THR110B, THR110D, THR15B, THR15D, TYR108D, TYR111B, TYR111D
• C-D: ARG112C, ARG112D, ARG63C, ARG63D, ASN32D, ASN91C, ASN91D, ASP61C, ASP61D, ASP70C, ASP70D, GLN105C, GLN105D, GLN13C, GLN13D, GLU78C, GLU78D, GLU83C, GLU83D, GLU87C, GLU87D, GLU95C, GLU95D, GLY107C, GLY107D, GLY113C, GLY113D, GLY33D, GLY60C, GLY60D, GLY69C, GLY69D, HIS89C, HIS89D, HIS96C, HIS96D, HIS98C, HIS98D, ILE5C, ILE84C, ILE84D, ILE90C, ILE90D, LEU101C, LEU101D, LEU102C, LEU102D, LEU6C, LEU6D, LYS29C, LYS29D, LYS67C, LYS67D, LYS73C, LYS73D, LYS92C, LYS92D, PHE66C, PHE66D, PHE72C, PHE72D, PHE80C, PHE80D, PHE81C, PHE81D, PHE88C, PHE88D, PRO100C, PRO100D, PRO82C, PRO82D, PRO85C, PRO85D, SER104C, SER104D, SER109C, SER109D, SER79C, SER79D, THR110C, THR110D, THR68D, TRP34C, TRP34D, TYR106C, TYR106D, TYR108C, TYR108D, TYR111C, TYR111D, TYR62C, TYR62D, TYR97C, TYR97D, VAL64C, VAL64D, VAL65C, VAL65D, VAL86C, VAL86D, VAL8C, VAL8D, VAL99C, VAL99D