3BB6

crystal structure of the p64488 protein from e.coli (strain k12). northeast structural genomics consortium target er596

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 93
  • Norm. En. per Res.: -3.8295
• Hub Node: A(2)

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-C	-59.6185	-25.9403	-264.331	-349.8897	92	10	2	8845	2	6	11
A-D	-40.4177	18.651	-134.861	-156.6277	61	4	0	5793	2	17	19
B-C	-44.8772	12.631	-174.513	-206.7592	82	20	0	7711	1	27	23
B-D	-55.9965	-23.2591	-276.889	-356.1446	93	7	2	8963	2	6	11
C-D	0.0	0.0	-0.1606	-0.1606	11	0	0	57	0	3	4

Interface residues

• A-C: ALA71A, ALA71C, ALA75A, ALA75C, ARG12A, ARG12C, ARG42A, ARG42C, ASN18A, ASN18C, ASN7A, ASN7C, ASN95A, ASN95C, ASP90A, ASP90C, ASP91A, ASP91C, ASP97A, ASP97C, GLN20A, GLN20C, GLN3A, GLN3C, GLN6A, GLN6C, GLN73A, GLN73C, GLU70A, GLU70C, GLY48A, GLY48C, GLY72A, GLY72C, HIS10A, HIS10C, HIS47A, HIS47C, ILE4A, ILE4C, ILE69A, ILE69C, ILE96A, ILE96C, ILE9A, ILE9C, LEU2A, LEU2C, LEU43A, LEU43C, LYS19A, LYS19C, PHE16A, PHE16C, PHE74A, PHE74C, PHE94A, PHE94C, PHE98A, PHE98C, PHE99A, PHE99C, PRO15A, PRO15C, PRO5A, PRO5C, SER13A, SER13C, SER44A, SER44C, THR11A, THR11C, THR14A, THR14C, THR21A, THR21C, THR92A, THR92C, TRP17A, TRP17C, TYR40A, TYR40C, TYR8A, TYR8C, TYR93A, TYR93C, VAL100A, VAL100C, VAL45A, VAL45C, VAL76A, VAL76C
• A-D: ALA101A, ALA101D, ALA109A, ARG12A, ARG12D, ARG29D, ARG36A, ARG36D, ASP32A, ASP32D, ASP57D, GLU103A, GLU103D, GLU107A, GLU28D, GLU58D, GLY108A, GLY25D, GLY34A, GLY34D, GLY38A, HIS10A, HIS10D, HIS30D, HIS59D, HIS83D, ILE26D, ILE9A, ILE9D, LEU105A, LEU31D, LYS33A, LYS33D, PHE98A, PHE98D, PHE99A, PRO102A, PRO102D, PRO15A, PRO15D, PRO23A, PRO23D, PRO37D, PRO41A, SER13A, SER13D, THR11A, THR11D, THR14A, THR14D, THR35A, THR35D, TRP17A, TRP17D, TRP82D, TYR40A, VAL100A, VAL100D, VAL104A, VAL39A, VAL39D
• B-C: ALA101B, ALA109B, ALA22B, ALA24B, ALA61C, ARG112C, ARG12B, ARG12C, ARG29C, ARG36B, ARG36C, ASN18B, ASP32B, ASP32C, ASP57C, ASP90B, ASP97B, GLN110B, GLN110C, GLN111B, GLN111C, GLN20B, GLU103B, GLU103C, GLU107B, GLU107C, GLU28C, GLU58C, GLY108B, GLY25B, GLY25C, GLY34B, GLY34C, GLY38B, HIS10B, HIS10C, HIS30B, HIS30C, HIS59C, HIS83C, ILE26B, ILE26C, ILE9B, ILE9C, LEU105B, LEU105C, LEU31B, LEU31C, LYS113C, LYS19B, LYS33B, LYS33C, PHE27B, PHE98B, PHE98C, PHE99B, PRO102B, PRO102C, PRO15B, PRO15C, PRO23B, PRO23C, PRO37C, PRO41B, SER13B, SER13C, SER60C, THR11B, THR11C, THR14C, THR21B, THR35B, THR35C, TRP17B, TRP17C, TRP82C, TYR40B, VAL100B, VAL100C, VAL104B, VAL39B, VAL39C
• B-D: ALA22B, ALA22D, ALA71B, ALA71D, ALA75B, ALA75D, ARG12B, ARG12D, ARG42B, ARG42D, ASN18B, ASN18D, ASN7B, ASN7D, ASN95B, ASN95D, ASP90B, ASP90D, ASP91B, ASP91D, ASP97B, ASP97D, GLN20B, GLN20D, GLN3B, GLN3D, GLN6B, GLN6D, GLN73B, GLN73D, GLU70B, GLU70D, GLY48B, GLY48D, GLY72B, GLY72D, HIS10B, HIS10D, HIS47B, HIS47D, ILE4B, ILE4D, ILE69B, ILE69D, ILE96B, ILE96D, ILE9B, ILE9D, LEU2B, LEU2D, LEU43B, LEU43D, LYS19B, LYS19D, PHE16B, PHE16D, PHE74B, PHE74D, PHE94B, PHE94D, PHE98B, PHE99B, PHE99D, PRO15B, PRO15D, PRO5B, PRO5D, SER13B, SER13D, SER44B, SER44D, THR11B, THR11D, THR14B, THR14D, THR21B, THR21D, THR92B, THR92D, TRP17B, TRP17D, TYR40B, TYR40D, TYR8B, TYR8D, TYR93B, TYR93D, VAL100B, VAL100D, VAL45B, VAL45D, VAL76B, VAL76D
• C-D: ARG12C, ARG12D, HIS10C, HIS10D, PRO15C, PRO15D, SER13C, SER13D, THR11C, THR11D, THR14D