3BY6

crystal structure of a transcriptional regulator from oenococcus oeni

• Total interactions analyzed: 10
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 143
  • Norm. En. per Res.: -3.9163
• Hub Node: A(4)

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	-12.3766	0.0	-87.1939	-99.5705	46	5	2	2993	0	2	5
A-C	0.0	0.0	-38.1116	-38.1116	28	0	1	1692	0	5	5
A-D	-84.09	-34.3256	-441.613	-560.0286	143	13	23	20738	2	21	32
A-E	0.0	0.0	-0.0263	-0.0263	7	0	0	21	0	2	0
B-D	0.0	2.2357	-54.588	-52.3524	34	5	1	2616	0	6	7
C-D	-2.592	0.0	-90.6821	-93.2741	46	1	2	3109	0	2	5
C-E	0.0	0.0	-49.7264	-49.7264	39	5	0	2440	0	5	4
D-E	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0

Interface residues

• A-B: ALA77A, ALA77B, ALA89A, ALA89B, ALA96A, ARG63B, ARG86A, ARG86B, ASN75A, ASN75B, ASN81A, ASN81B, ASN83A, ASN83B, ASN85A, ASN85B, GLN84A, GLN84B, GLN93A, GLN93B, GLY74A, GLY74B, ILE95A, ILE95B, LEU87A, LEU87B, LEU88A, LEU88B, LEU91A, LEU91B, LYS60A, LYS60B, LYS80A, LYS80B, SER78A, SER78B, SER82A, SER82B, SER92A, SER92B, THR73A, THR73B, THR76A, THR76B, VAL79A, VAL79B
• A-C: ALA28C, ALA77C, ARG107A, ARG63C, ASN113A, ASN29C, ASN75C, ASN81C, ASP114A, GLN84C, GLY117A, GLY74C, ILE108A, ILE111A, ILE115A, ILE65C, ILE72C, LEU116A, LEU98A, LYS110A, LYS80C, SER101A, SER27C, SER78C, THR73C, THR76C, VAL103A, VAL112A
• A-D: ALA0A, ALA0D, ALA22A, ALA22D, ALA2A, ALA2D, ALA39A, ALA39D, ALA89A, ALA89D, ALA96A, ALA96D, ARG107A, ARG107D, ARG16A, ARG16D, ARG7A, ARG7D, ARG86A, ARG86D, ASN113A, ASN113D, ASN19A, ASN19D, ASN81A, ASN81D, ASN83A, ASN83D, ASN85A, ASN85D, ASP114A, ASP114D, ASP15A, ASP15D, ASP24A, ASP24D, ASP90A, ASP90D, GLN-1A, GLN-1D, GLN12A, GLN12D, GLN41A, GLN41D, GLN5A, GLN5D, GLN84A, GLN84D, GLN93A, GLN93D, GLU106A, GLU106D, GLU20A, GLU20D, GLU42A, GLU42D, GLU97A, GLU97D, GLY102A, GLY102D, GLY105A, GLY105D, GLY117A, GLY117D, GLY118D, ILE108A, ILE108D, ILE111A, ILE111D, ILE115A, ILE115D, ILE17A, ILE17D, ILE3A, ILE3D, ILE44A, ILE44D, ILE95A, ILE95D, ILE99A, ILE99D, LEU116A, LEU116D, LEU11A, LEU11D, LEU13A, LEU13D, LEU40A, LEU40D, LEU87A, LEU87D, LEU88A, LEU88D, LEU91A, LEU91D, LEU98A, LEU98D, LYS100A, LYS100D, LYS104A, LYS104D, LYS109A, LYS109D, LYS110A, LYS110D, LYS119D, LYS43A, LYS43D, LYS6A, LYS6D, LYS80A, LYS80D, MET1A, MET1D, PRO8A, PRO8D, SER101A, SER101D, SER92A, SER92D, THR23A, THR23D, THR38A, THR38D, THR48A, THR48D, THR4A, THR4D, TYR10A, TYR10D, VAL103A, VAL103D, VAL112A, VAL112D, VAL14A, VAL14D, VAL25A, VAL25D, VAL49D, VAL94A, VAL94D, VAL9A, VAL9D
• A-E: ALA0E, ASP30A, GLN31A, GLN5E, GLY67A, ILE3E, LYS68A
• B-D: ALA22B, ALA28B, ALA77B, ARG107D, ARG63B, ASN113D, ASN29B, ASN75B, ASN81B, ASP114D, ASP24B, GLN84B, GLY117D, GLY118D, GLY74B, ILE108D, ILE111D, ILE115D, ILE65B, ILE72B, LEU116D, LEU98D, LYS110D, LYS119D, LYS68B, LYS80B, PHE71B, SER27B, SER78B, THR73B, THR76B, VAL103D, VAL112D, VAL79B
• C-D: ALA77C, ALA77D, ALA89C, ALA89D, ALA96C, ALA96D, ARG63C, ARG63D, ARG86C, ARG86D, ASN75C, ASN75D, ASN81C, ASN81D, ASN83C, ASN83D, ASN85C, ASN85D, ASP90D, GLN84C, GLN84D, GLN93C, GLN93D, GLY74C, GLY74D, ILE95C, LEU87C, LEU87D, LEU88C, LEU88D, LEU91C, LEU91D, LYS60C, LYS80C, LYS80D, SER78C, SER78D, SER82C, SER82D, SER92C, SER92D, THR73C, THR76C, THR76D, VAL79C, VAL79D
• C-E: ALA39C, ALA39E, ALA50C, ALA50E, ARG36C, ARG36E, ASN45C, ASN45E, ASN47C, ASN47E, GLU37C, GLU37E, GLY67C, GLY67E, GLY69C, GLY69E, ILE65C, ILE65E, LEU40C, LEU40E, LYS51C, LYS51E, LYS68C, LYS68E, PRO46C, PRO46E, PRO66C, PRO66E, SER34C, SER34E, THR38C, THR48C, THR48E, THR64E, TYR53E, VAL35C, VAL35E, VAL49C, VAL49E
• D-E: ASN47E, LYS100D