2GMY

crystal structure of a protein of unknown function atu0492 from agrobacterium tumefaciens, putative antioxidant defence protein ahpd

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 106
  • Norm. En. per Res.: -3.9366
• 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	-25.9329	-48.8883	-520.753	-595.5742	160	7	28	21777	2	42	32
A-C	0.0	0.0	-0.3499	-0.3499	6	0	0	44	0	3	6
A-E	-19.2609	-61.9253	-314.548	-395.7342	103	20	12	12373	4	27	21
A-F	0.0	0.0	-0.4106	-0.4106	7	0	0	45	0	3	6
B-C	-37.7984	-59.6643	-311.445	-408.9077	106	26	12	12715	4	27	21
B-D	0.0	0.0	-0.3654	-0.3654	6	0	0	44	0	3	5
B-E	0.0	0.0	-0.3917	-0.3917	6	0	0	43	0	3	5
C-D	-34.0165	-68.1354	-528.922	-631.0739	161	8	33	22137	3	41	31
C-F	0.0	0.0	-0.3788	-0.3788	6	0	0	44	0	3	6
D-E	0.0	0.0	-0.4409	-0.4409	7	0	0	55	0	3	6
D-F	-36.2003	-59.7312	-321.351	-417.2826	106	21	12	12679	3	27	21
E-F	-31.3361	-70.9646	-529.859	-632.1597	162	10	29	22145	2	44	33

Interface residues

• A-B: ALA103A, ALA103B, ALA107A, ALA107B, ALA10A, ALA10B, ALA126A, ALA126B, ALA129A, ALA129B, ALA137A, ALA137B, ALA14A, ALA14B, ALA17A, ALA17B, ALA20A, ALA20B, ALA42A, ALA42B, ALA8A, ALA8B, ALA94A, ALA94B, ALA99A, ALA99B, ARG112A, ARG112B, ARG135A, ARG135B, ARG141A, ARG141B, ARG4A, ARG4B, ASN131A, ASN131B, ASN134A, ASN134B, ASN23A, ASN23B, ASN46A, ASN46B, ASN6A, ASN6B, ASP105A, ASP105B, ASP106A, ASP106B, ASP117A, ASP117B, ASP93A, ASP93B, CYS48A, CYS48B, GLU100A, GLU100B, GLU109A, GLU109B, GLU118A, GLU118B, GLU119A, GLU119B, GLU13A, GLU13B, GLU22A, GLU22B, GLY102A, GLY102B, GLY128A, GLY128B, GLY139A, GLY139B, GLY47A, GLY47B, ILE120A, ILE120B, ILE123A, ILE123B, ILE127A, ILE127B, ILE130A, ILE130B, ILE136A, ILE136B, ILE44A, ILE44B, ILE45A, ILE45B, ILE5A, ILE5B, ILE98A, ILE98B, LEU111A, LEU111B, LEU21A, LEU21B, LYS122A, LYS122B, LYS16A, LYS16B, LYS2A, LYS97A, LYS97B, LYS9A, LYS9B, MET19A, MET19B, PHE108A, PHE108B, PHE115A, PHE115B, PHE140A, PHE140B, PHE15A, PHE15B, PRO104A, PRO104B, PRO12A, PRO12B, SER116A, SER116B, SER11A, SER11B, SER27B, SER28A, SER28B, SER43A, SER43B, THR101A, THR101B, THR124A, THR124B, THR132A, THR132B, THR3A, THR3B, THR96A, THR96B, TRP133A, TRP133B, TRP91A, TRP91B, TYR24A, TYR24B, TYR7A, TYR7B, VAL121A, VAL121B, VAL125A, VAL125B, VAL138A, VAL138B, VAL18A, VAL18B, VAL25A, VAL25B, VAL92A, VAL92B, VAL95A, VAL95B
• A-C: ALA103A, ARG76C, GLU77C, GLY102A, ILE98A, THR101A
• A-E: ALA137A, ALA137E, ALA148A, ALA42A, ALA42E, ALA49A, ALA49E, ARG141A, ARG141E, ARG41A, ARG41E, ARG4A, ARG4E, ARG60A, ARG60E, ARG76A, ARG76E, ARG86A, ARG86E, ASN134A, ASN134E, ASN46A, ASN46E, ASN70A, ASN70E, ASP53A, ASP53E, CYS48A, CYS48E, CYS51A, CYS51E, GLN143A, GLN143E, GLN67A, GLN67E, GLU147A, GLU66A, GLU66E, GLU77A, GLU77E, GLY139A, GLY139E, GLY47A, GLY47E, HIS144A, HIS144E, HIS55A, HIS55E, ILE44A, ILE44E, ILE45A, ILE45E, ILE69A, ILE69E, LEU40A, LEU40E, LEU71A, LEU71E, LYS2A, LYS2E, LYS57A, LYS57E, MET54A, MET54E, MET72A, MET72E, PHE140A, PHE140E, PHE50A, PHE50E, PRO145A, PRO145E, PRO79A, PRO79E, SER142A, SER142E, SER43A, SER43E, SER59E, SER65A, SER65E, SER73A, SER73E, SER78A, SER78E, TRP68A, TRP68E, TRP75A, TRP75E, TYR81A, TYR81E, VAL138A, VAL138E, VAL146A, VAL146E, VAL52A, VAL52E, VAL56A, VAL56E, VAL74A, VAL74E, VAL80A, VAL80E
• A-F: ALA103F, ARG76A, GLU77A, GLY102F, ILE98F, PRO104F, THR101F
• B-C: ALA137B, ALA137C, ALA42B, ALA42C, ALA49B, ALA49C, ARG141B, ARG141C, ARG41B, ARG41C, ARG4B, ARG4C, ARG60B, ARG60C, ARG76B, ARG76C, ARG86B, ARG86C, ASN134B, ASN134C, ASN46B, ASN46C, ASN70B, ASN70C, ASP53B, ASP53C, CYS48B, CYS48C, CYS51B, CYS51C, GLN143B, GLN143C, GLN67B, GLN67C, GLU147C, GLU66B, GLU66C, GLU77B, GLU77C, GLU83B, GLU83C, GLY139B, GLY139C, GLY47B, GLY47C, HIS144B, HIS144C, HIS55B, HIS55C, ILE44B, ILE44C, ILE45B, ILE45C, ILE69B, ILE69C, LEU40B, LEU40C, LEU71B, LEU71C, LYS2B, LYS2C, LYS57B, LYS57C, MET54B, MET54C, MET72B, MET72C, PHE140B, PHE140C, PHE50B, PHE50C, PRO145B, PRO145C, PRO79B, PRO79C, SER142B, SER142C, SER43B, SER43C, SER59B, SER59C, SER65B, SER65C, SER73B, SER73C, SER78B, SER78C, THR82C, TRP68B, TRP68C, TRP75B, TRP75C, TYR81B, TYR81C, VAL138B, VAL138C, VAL146B, VAL146C, VAL52B, VAL52C, VAL56B, VAL56C, VAL74B, VAL74C, VAL80B, VAL80C
• B-D: ALA103D, ARG76B, GLU77B, GLY102D, ILE98D, THR101D
• B-E: ALA103B, ARG76E, GLU77E, GLY102B, ILE98B, THR101B
• C-D: ALA103C, ALA103D, ALA107C, ALA107D, ALA10C, ALA10D, ALA126C, ALA126D, ALA129C, ALA129D, ALA137C, ALA137D, ALA14C, ALA14D, ALA17C, ALA17D, ALA20C, ALA20D, ALA42C, ALA42D, ALA8C, ALA8D, ALA94C, ALA94D, ALA99C, ALA99D, ARG112C, ARG112D, ARG135C, ARG135D, ARG141C, ARG141D, ARG4C, ARG4D, ASN131C, ASN131D, ASN134C, ASN134D, ASN23C, ASN23D, ASN46C, ASN46D, ASN6C, ASN6D, ASP105C, ASP105D, ASP106C, ASP106D, ASP117C, ASP117D, ASP93C, ASP93D, CYS48C, CYS48D, GLU100C, GLU100D, GLU109C, GLU109D, GLU118C, GLU118D, GLU119C, GLU119D, GLU13C, GLU13D, GLU22C, GLU22D, GLY102C, GLY102D, GLY128C, GLY128D, GLY139C, GLY139D, GLY29C, GLY47C, GLY47D, ILE120C, ILE120D, ILE123C, ILE123D, ILE127C, ILE127D, ILE130C, ILE130D, ILE136C, ILE136D, ILE44C, ILE44D, ILE45C, ILE45D, ILE5C, ILE5D, ILE98C, ILE98D, LEU111C, LEU111D, LEU21C, LEU21D, LEU30C, LYS122C, LYS122D, LYS16C, LYS16D, LYS97C, LYS97D, LYS9C, LYS9D, MET19C, MET19D, PHE108C, PHE108D, PHE115C, PHE115D, PHE140C, PHE140D, PHE15C, PHE15D, PRO104C, PRO104D, PRO12C, PRO12D, SER116C, SER116D, SER11C, SER11D, SER27C, SER28C, SER28D, SER43C, SER43D, THR101C, THR101D, THR124C, THR124D, THR132C, THR132D, THR3C, THR3D, THR96C, THR96D, TRP133C, TRP133D, TRP91C, TRP91D, TYR24C, TYR24D, TYR7C, TYR7D, VAL121C, VAL121D, VAL125C, VAL125D, VAL138C, VAL138D, VAL18C, VAL18D, VAL25C, VAL25D, VAL92C, VAL92D, VAL95C, VAL95D
• C-F: ALA103C, ARG76F, GLU77F, GLY102C, ILE98C, THR101C
• D-E: ALA103E, ARG76D, GLU77D, GLY102E, ILE98E, PRO104E, THR101E
• D-F: ALA137D, ALA137F, ALA148F, ALA42D, ALA42F, ALA49D, ALA49F, ARG141D, ARG141F, ARG41D, ARG41F, ARG4D, ARG4F, ARG60D, ARG60F, ARG76D, ARG76F, ARG86D, ARG86F, ASN134D, ASN134F, ASN46D, ASN46F, ASN70D, ASN70F, ASP53D, ASP53F, CYS48D, CYS48F, CYS51D, CYS51F, GLN143D, GLN143F, GLN67D, GLN67F, GLU147F, GLU66D, GLU66F, GLU77D, GLU77F, GLU83F, GLY139D, GLY139F, GLY47D, GLY47F, HIS144D, HIS144F, HIS55D, HIS55F, ILE44D, ILE44F, ILE45D, ILE45F, ILE69D, ILE69F, LEU40D, LEU40F, LEU71D, LEU71F, LYS2D, LYS2F, LYS57D, LYS57F, MET54D, MET54F, MET72D, MET72F, PHE140D, PHE140F, PHE50D, PHE50F, PRO145D, PRO145F, PRO79D, PRO79F, SER142D, SER142F, SER43D, SER43F, SER59D, SER59F, SER65D, SER65F, SER73D, SER73F, SER78D, SER78F, THR82F, TRP68D, TRP68F, TRP75D, TRP75F, TYR81D, TYR81F, VAL138D, VAL138F, VAL146D, VAL146F, VAL52D, VAL52F, VAL56D, VAL56F, VAL74D, VAL74F, VAL80D, VAL80F
• E-F: ALA103E, ALA103F, ALA107E, ALA107F, ALA10E, ALA10F, ALA126E, ALA126F, ALA129E, ALA129F, ALA137E, ALA137F, ALA14E, ALA14F, ALA17E, ALA17F, ALA20E, ALA20F, ALA42E, ALA42F, ALA8E, ALA8F, ALA94E, ALA94F, ALA99E, ALA99F, ARG112E, ARG112F, ARG135E, ARG135F, ARG141E, ARG141F, ARG4E, ARG4F, ASN131E, ASN131F, ASN134E, ASN134F, ASN23E, ASN23F, ASN46E, ASN46F, ASN6E, ASN6F, ASP105E, ASP105F, ASP106E, ASP106F, ASP117E, ASP117F, ASP93E, ASP93F, CYS48E, CYS48F, GLU100E, GLU100F, GLU109E, GLU109F, GLU118E, GLU118F, GLU119E, GLU119F, GLU13E, GLU13F, GLU22E, GLU22F, GLY102E, GLY102F, GLY128E, GLY128F, GLY139E, GLY139F, GLY47E, GLY47F, ILE120E, ILE120F, ILE123E, ILE123F, ILE127E, ILE127F, ILE130E, ILE130F, ILE136E, ILE136F, ILE44E, ILE44F, ILE45E, ILE45F, ILE5E, ILE5F, ILE98E, ILE98F, LEU111E, LEU111F, LEU21E, LEU21F, LEU30E, LEU30F, LYS122E, LYS122F, LYS16E, LYS16F, LYS2F, LYS97E, LYS97F, LYS9E, LYS9F, MET19E, MET19F, PHE108E, PHE108F, PHE115E, PHE115F, PHE140E, PHE140F, PHE15E, PHE15F, PRO104E, PRO104F, PRO12E, PRO12F, SER116E, SER116F, SER11E, SER11F, SER27E, SER28E, SER28F, SER43E, SER43F, THR101E, THR101F, THR124E, THR124F, THR132E, THR132F, THR3E, THR3F, THR96E, THR96F, TRP133E, TRP133F, TRP91E, TRP91F, TYR24E, TYR24F, TYR7E, TYR7F, VAL121E, VAL121F, VAL125E, VAL125F, VAL138E, VAL138F, VAL18E, VAL18F, VAL25E, VAL25F, VAL92E, VAL92F, VAL95E, VAL95F