3FKF

thiol-disulfide oxidoreductase from bacteroides fragilis nctc 9343

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 57
  • Norm. En. per Res.: -3.3351
• 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	0.0	21.3367	-60.9185	-39.5818	38	3	1	2785	0	16	25
A-C	-20.4324	2.2567	-184.413	-202.5887	67	8	10	7691	0	2	6
A-D	-31.5798	-30.6139	-127.907	-190.1008	57	6	2	4471	4	21	33
B-C	-27.3924	-33.1146	-121.692	-182.1991	57	6	2	4354	4	20	33
B-D	-21.1914	1.1131	-166.084	-186.1623	64	8	9	7452	0	2	6
C-D	0.0	7.6608	-9.1711	-1.5103	26	1	0	750	0	3	7

Interface residues

• A-B: ALA39A, ALA39B, ALA78A, ALA78B, ALA82A, ALA82B, ASP43A, ASP43B, ASP75A, ASP75B, ASP86A, ASP86B, CYS42A, CYS42B, GLU77A, GLU77B, GLU80A, GLU80B, ILE74A, ILE74B, ILE83A, ILE83B, LYS84A, LYS84B, LYS85A, LYS85B, PRO44A, PRO44B, SER40A, SER40B, THR81A, THR81B, THR87A, THR87B, TRP38A, TRP38B, TRP41A, TRP41B
• A-C: ALA104A, ALA104C, ALA108A, ALA108C, ALA39A, ALA39C, ALA78A, ALA78C, ARG127C, ASP128A, ASP128C, ASP43A, ASP43C, ASP73A, ASP73C, ASP75A, ASP75C, CYS42A, CYS42C, GLN106A, GLN106C, GLN45A, GLN45C, GLU102A, GLU102C, GLY98A, GLY98C, ILE109A, ILE109C, ILE74A, ILE74C, LEU110A, LEU110C, LEU112A, LEU112C, LEU72A, LEU72C, LEU99A, LEU99C, LYS105A, LYS105C, PHE37A, PHE37C, PHE96A, PHE96C, PRO113A, PRO113C, PRO44A, PRO44C, PRO46C, SER100A, SER100C, SER101A, SER101C, SER40A, SER40C, THR103C, THR111A, THR111C, THR114A, THR114C, THR97A, THR97C, TRP38A, TRP38C, TRP41A, TRP41C
• A-D: ALA133D, ALA48D, ALA50D, ALA78A, ARG127D, ARG54D, ARG76A, ASN115D, ASN15A, ASN49D, ASP128D, ASP43D, ASP73A, ASP75A, ASP95A, CYS42D, CYS94A, GLN130D, GLN45D, GLU102A, GLU132D, GLU16A, GLU19A, GLU47D, GLU51D, GLU77A, GLU80A, GLY131D, GLY136D, GLY18A, GLY98A, ILE129D, ILE74A, ILE83A, LEU112D, LEU134D, LEU13A, LEU52D, LYS137D, LYS139D, LYS17A, LYS20A, LYS84A, PHE96A, PRO113D, PRO14A, PRO44D, PRO46D, SER101A, SER12A, THR103A, THR111D, THR114D, THR135D, THR81A, THR97A, TRP79A
• B-C: ALA133C, ALA48C, ALA50C, ALA78B, ALA82B, ARG127C, ARG54C, ARG76B, ASN115C, ASN15B, ASN49C, ASP128C, ASP43C, ASP73B, ASP75B, ASP95B, CYS42C, CYS94B, GLN130C, GLN45C, GLU102B, GLU132C, GLU16B, GLU19B, GLU47C, GLU51C, GLU77B, GLU80B, GLY131C, GLY136C, GLY18B, GLY98B, ILE129C, ILE74B, ILE83B, LEU112C, LEU134C, LEU13B, LEU52C, LYS137C, LYS17B, LYS20B, LYS84B, PHE96B, PRO113C, PRO14B, PRO44C, PRO46C, SER100B, SER101B, SER12B, THR103B, THR111C, THR135C, THR81B, THR97B, TRP79B
• B-D: ALA104B, ALA104D, ALA108B, ALA108D, ALA39B, ALA39D, ALA78B, ARG127D, ASP128B, ASP128D, ASP43B, ASP43D, ASP73B, ASP73D, ASP75B, ASP75D, CYS42B, CYS42D, GLN106D, GLN45B, GLN45D, GLU102B, GLU102D, GLY98B, GLY98D, ILE109B, ILE109D, ILE74B, ILE74D, LEU110B, LEU110D, LEU112B, LEU112D, LEU72B, LEU72D, LEU99B, LEU99D, LYS105B, LYS105D, PHE37B, PHE37D, PHE96B, PHE96D, PRO113B, PRO113D, PRO44B, PRO44D, PRO46D, SER100B, SER100D, SER101B, SER101D, SER40B, SER40D, THR111B, THR111D, THR114B, THR114D, THR97B, THR97D, TRP38B, TRP38D, TRP41B, TRP41D
• C-D: ALA108D, ALA126D, ALA133C, ALA133D, ARG127C, ARG127D, ASP128C, ASP128D, GLN130C, GLN130D, GLY5C, ILE124C, ILE124D, ILE129C, ILE129D, LEU110C, LEU110D, LEU125C, LEU125D, LYS123C, LYS123D, LYS137C, LYS6C, LYS6D, THR3C, VAL4C