3KOR

crystal structure of a putative trp repressor from staphylococcus aureus

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 142
  • Norm. En. per Res.: -8.338
• 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	-15.5296	-2.1963	-17.7259	11	0	0	255	0	3	4
A-C	0.0	19.1377	-9.233	9.9047	13	0	0	561	0	9	14
A-D	-168.7146	-220.2352	-795.053	-1184.0027	142	27	33	28859	34	63	46
B-C	-164.7141	-217.6591	-796.404	-1178.7772	142	25	32	28786	34	66	45
B-D	0.0	5.2767	-3.2881	1.9886	16	0	0	366	0	4	8
C-D	0.0	-33.8322	-14.0017	-47.8339	14	0	0	488	2	5	5

Interface residues

• A-B: ALA9A, ARG24B, ASP12A, ASP16A, GLU13A, GLU22A, GLU25B, GLU97B, ILE96B, THR20A, TYR28B
• A-C: ALA10A, ALA9A, ALA9C, ARG7A, ARG7C, ASP12A, ASP12C, ASP16A, ASP16C, GLU13A, GLU4C, GLY8A, GLY8C
• A-D: ALA10A, ALA10D, ALA17A, ALA17D, ALA50A, ALA50D, ALA86A, ALA86D, ALA9A, ALA9D, ARG24A, ARG24D, ARG46A, ARG46D, ARG75A, ARG75D, ARG7A, ARG7D, ARG93A, ARG93D, ASN23A, ASN23D, ASN38A, ASN38D, ASN84A, ASN84D, ASN95A, ASN95D, ASP12A, ASP12D, ASP16A, ASP16D, ASP32A, ASP32D, ASP33A, ASP33D, ASP85A, ASP85D, ASP92A, ASP92D, CYS27A, CYS27D, CYS35A, CYS35D, GLN29A, GLN29D, GLN2A, GLN2D, GLN41A, GLN41D, GLN45A, GLN45D, GLN48A, GLN48D, GLN55A, GLN55D, GLU13A, GLU13D, GLU22A, GLU22D, GLU25A, GLU25D, GLU26A, GLU26D, GLU39A, GLU39D, GLU4A, GLU4D, GLU65A, GLU65D, GLY83A, GLY83D, GLY8A, GLY8D, ILE18A, ILE18D, ILE3A, ILE3D, ILE40A, ILE40D, ILE90A, ILE90D, ILE96A, ILE96D, LEU11A, LEU11D, LEU14A, LEU14D, LEU19A, LEU19D, LEU21A, LEU21D, LEU34A, LEU34D, LEU43A, LEU43D, LEU47A, LEU47D, LEU6A, LEU6D, LEU80A, LEU80D, LEU91A, LEU91D, LYS51A, LYS51D, LYS5A, LYS5D, PHE15A, PHE15D, PHE30A, PHE30D, PHE31A, PHE31D, SER0A, SER0D, SER42A, SER42D, SER44A, SER44D, SER66A, SER66D, SER79A, SER79D, THR20A, THR20D, THR36A, THR36D, THR88A, THR88D, TRP82A, TRP82D, TYR28A, TYR28D, TYR87A, TYR87D, VAL37A, VAL37D, VAL49A, VAL49D, VAL76A, VAL76D
• B-C: ALA10B, ALA10C, ALA17B, ALA17C, ALA50B, ALA50C, ALA86B, ALA86C, ALA9B, ALA9C, ARG24B, ARG24C, ARG46B, ARG46C, ARG75B, ARG75C, ARG78B, ARG78C, ARG7B, ARG7C, ARG93B, ARG93C, ASN23B, ASN23C, ASN38B, ASN38C, ASN84B, ASN84C, ASN95B, ASN95C, ASP12B, ASP12C, ASP16B, ASP16C, ASP32B, ASP32C, ASP33B, ASP33C, ASP85B, ASP85C, ASP92B, ASP92C, CYS27B, CYS27C, CYS35B, CYS35C, GLN29B, GLN29C, GLN2B, GLN2C, GLN41B, GLN41C, GLN45B, GLN45C, GLN48B, GLN48C, GLN55C, GLU13B, GLU13C, GLU22B, GLU22C, GLU25B, GLU25C, GLU26B, GLU26C, GLU39B, GLU39C, GLU4B, GLU4C, GLY83B, GLY83C, GLY8B, GLY8C, ILE18B, ILE18C, ILE3B, ILE3C, ILE40B, ILE40C, ILE90B, ILE90C, ILE96C, LEU11B, LEU11C, LEU14B, LEU14C, LEU19B, LEU19C, LEU21B, LEU21C, LEU34B, LEU34C, LEU43B, LEU43C, LEU47B, LEU47C, LEU6B, LEU6C, LEU80B, LEU80C, LEU91B, LEU91C, LYS51B, LYS51C, LYS5B, LYS5C, PHE15B, PHE15C, PHE30B, PHE30C, PHE31B, PHE31C, SER0B, SER0C, SER42B, SER42C, SER44B, SER44C, SER66B, SER66C, SER79B, SER79C, THR20B, THR20C, THR36B, THR36C, THR72B, THR72C, THR88B, THR88C, TRP82B, TRP82C, TYR28B, TYR28C, TYR87B, TYR87C, VAL37B, VAL37C, VAL49B, VAL49C, VAL76B, VAL76C
• B-D: ARG24B, ARG24D, ARG93B, ARG93D, ASN23B, ASN95D, ASP92D, GLN55D, GLU22B, GLU25B, GLU97D, ILE96B, ILE96D, LYS51D, TYR28B, TYR57D
• C-D: ALA10C, ALA9C, ARG24D, ARG7C, ASN23D, ASN95D, ASP12C, ASP16C, GLU13C, GLU25D, GLY8C, LEU11C, LEU19C, TYR28D