3GNJ

the crystal structure of a thioredoxin-related protein from desulfitobacterium hafniense dcb

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 67
  • Norm. En. per Res.: -3.9529
• 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	-66.6002	-4.0992	-165.423	-236.1223	63	8	1	5823	2	30	36
A-C	0.0	-13.6663	-44.8798	-58.5461	26	4	0	1779	2	16	12
A-D	0.0	6.4846	-13.664	-7.1794	19	0	0	549	0	4	22
B-C	0.0	0.0	-6.3815	-6.3815	16	0	0	244	0	0	0
B-D	0.0	-1.217	-1.413	-2.6301	11	0	0	151	0	5	20
C-D	-72.0703	-20.7247	-172.052	-264.847	67	7	1	6052	2	28	37

Interface residues

• A-B: ALA90A, ALA90B, ARG68A, ARG68B, ASP104A, ASP104B, ASP108A, ASP17B, ASP82A, ASP82B, GLN100A, GLN67A, GLN67B, GLN76A, GLN76B, GLU107B, GLU12B, GLU84A, GLU84B, GLU97A, GLY19A, GLY73B, GLY83A, GLY83B, GLY87A, GLY87B, GLY91A, ILE15A, ILE15B, ILE77A, LEU65B, LEU71A, LEU71B, LEU78A, LEU78B, LYS72A, LYS72B, LYS81A, LYS81B, LYS86A, LYS86B, LYS88A, LYS88B, PHE11A, PHE11B, PHE66A, PHE66B, PHE69A, PHE69B, PHE80A, PHE80B, SER70A, SER70B, THR64B, THR8B, TYR16A, TYR16B, TYR79A, TYR79B, TYR85A, TYR85B, VAL105A, VAL93A
• A-C: ALA103A, ARG45A, ARG68C, ASN47A, GLN67C, GLU42A, GLU43A, GLU49A, GLU50A, GLU60C, GLU61C, GLU62C, GLU99A, ILE102A, LEU106A, LEU44A, LEU46A, LEU65C, LYS63C, PHE52A, PHE66C, SER51A, SER70C, THR64C, TYR48A, VAL59C
• A-D: ALA103A, ARG68D, ASN9D, ASP104A, ASP108A, ASP17D, ASP7D, ASP96A, GLN100A, GLN13D, GLU107A, GLU12D, GLU61D, GLU62D, LEU106A, LEU65D, LYS63D, THR64D, THR8D
• B-C: ALA0C, ARG28C, ASN-1C, ASN30C, ASP58C, CYS34C, GLN35C, GLU42C, HIS3B, LEU3C, LYS29C, LYS5C, SER27C, SER2C, THR38C, TYR56C
• B-D: ASN9D, ASP104B, ASP7D, ASP96B, GLN100B, GLN13D, GLU107B, GLU97B, LEU6D, LYS5D, THR10D
• C-D: ALA90C, ALA90D, ARG68C, ARG68D, ASP104C, ASP104D, ASP108C, ASP108D, ASP17D, ASP82C, ASP82D, ASP92C, GLN100C, GLN13D, GLN67C, GLN67D, GLN76C, GLN76D, GLU107D, GLU12D, GLU18D, GLU84C, GLU84D, GLU97C, GLY19C, GLY19D, GLY73D, GLY83C, GLY83D, GLY87C, GLY87D, GLY91C, ILE15C, ILE15D, ILE77C, LEU65D, LEU71C, LEU71D, LEU78C, LEU78D, LYS72C, LYS72D, LYS81C, LYS81D, LYS86C, LYS86D, LYS88C, LYS88D, PHE11C, PHE11D, PHE66D, PHE69C, PHE69D, PHE80C, PHE80D, SER70C, SER70D, THR64D, THR8D, TYR16C, TYR16D, TYR79C, TYR79D, TYR85C, TYR85D, VAL105C, VAL93C