3G7G

crystal structure of the protein with unknown function from clostridium acetobutylicum atcc 824

• Total interactions analyzed: 28
• Total true interactions: 20
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 32
  • Norm. En. per Res.: -4.2129
• Hub Node: A(5)

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	-37.622	-3.7211	-272.31	-313.6532	94	13	10	10536	1	18	19
A-D	-50.548	-54.9524	-336.23	-441.7304	107	11	13	13054	7	20	18
A-E	0.0	0.0	-0.1238	-0.1238	8	0	0	56	0	0	5
A-F	0.0	15.2997	-51.6034	-36.3037	42	2	0	2714	0	18	17
A-H	-29.4144	-22.8129	-74.2946	-126.522	35	6	0	2676	2	21	17
B-D	0.0	0.0	-0.0821	-0.0821	7	0	0	47	0	0	5
B-E	-42.3334	-57.2512	-326.247	-425.8315	106	8	14	12846	7	21	18
B-H	0.0	0.0	-0.0912	-0.0912	3	0	0	21	0	2	0
D-E	-44.5529	1.8411	-275.144	-317.8558	89	10	10	10620	1	21	21
D-F	-30.6038	-37.1101	-67.1001	-134.814	32	2	0	2512	2	21	15
D-G	0.0	1.7467	-1.7328	0.0139	10	0	0	310	0	8	8
D-H	0.0	0.0	-7.1592	-7.1592	13	0	0	611	0	0	3
E-G	0.0	0.0	-0.0009	-0.0009	2	0	0	2	0	0	1
E-H	0.0	0.0097	-2.7273	-2.7175	9	0	0	350	0	5	7
C-F	-45.2917	6.6584	-269.302	-307.9353	87	10	10	10401	0	18	18
C-G	-43.3229	-57.1436	-335.71	-436.1765	105	12	15	13315	8	20	18
C-H	0.0	0.0	-0.1318	-0.1318	8	0	0	57	0	0	6
F-G	0.0	0.0	-0.1325	-0.1325	8	0	0	61	0	0	6
F-H	-59.9853	-54.1234	-332.133	-446.2418	107	18	13	13022	9	20	20
G-H	-58.1762	9.4312	-334.016	-382.761	102	15	12	13066	0	19	22

Interface residues

• A-B: ALA143B, ARG119A, ARG119B, ARG66A, ARG66B, ARG95A, ARG95B, ASN10A, ASN10B, ASN136A, ASN136B, ASN92A, ASN92B, ASP68A, ASP68B, ASP99A, CB7.1489117.12986, CB8.23509-1.62735, CYS141A, CYS141B, CYS142A, CYS142B, CYS71A, CYS71B, GLU12A, GLU12B, GLU13A, GLU13B, GLU72A, GLU72B, GLU8A, GLU8A5, GLY69A, GLY93A, GLY93B, HIS137A, HIS137B, ILE102A, ILE121A, ILE121B, ILE138A, ILE138B, ILE157A, ILE157B, ILE94A, ILE94B, LEU73A, LEU73B, LYS132A, LYS132B, LYS153A, LYS153B, LYS156A, LYS156B, LYS70A, LYS70B, MET134A, MET134B, MET135A, MET135B, MET9A, MET9B, PHE118A, PHE118B, PHE124A, PHE124B, PHE139A, PHE139B, PHE154A, PHE154B, PRO122A, PRO122B, PRO67A, SER158A, SER158B, THR120A, THR120B, THR123A, THR123B, THR96A, THR96B, TRP133A, TRP133B, TYR116A, TYR116B, TYR117A, TYR117B, TYR11A, TYR11B, TYR155A, TYR155B, VAL140A, VAL140B, VAL97A
• A-D: ALA75A, ALA75D, ALA78A, ALA78D, ALA85A, ALA85D, ALA86A, ALA86D, ARG35A, ARG35D, ARG36A, ARG36D, ARG66A, ARG66D, ARG76A, ARG76D, ARG80A, ARG80D, ASN91A, ASN91D, ASN92A, ASN92D, ASP30A, ASP30D, ASP31A, ASP31D, ASP61A, ASP61D, GLN29A, GLN29D, GLN37A, GLN37D, GLN63A, GLN63D, GLU125A, GLU125D, GLU90A, GLU90D, GLY28A, GLY28D, GLY34A, GLY34D, GLY58A, GLY58D, GLY59A, GLY59D, GLY84A, GLY84D, ILE25A, ILE25D, ILE27A, ILE27D, ILE32A, ILE32D, ILE39A, ILE39D, ILE41A, ILE41D, ILE60A, ILE60D, ILE64A, ILE64D, ILE79A, ILE79D, ILE87A, ILE87D, ILE89A, ILE89D, LEU26A, LEU26D, LEU38A, LEU38D, LEU56A, LEU56D, LEU73A, LEU73D, LYS132A, LYS132D, MET135A, MET135D, PHE124A, PHE124D, PRO129A, PRO129D, PRO40A, PRO40D, PRO57A, PRO57D, SER128A, SER128D, SER62A, SER62D, SER74A, SER74D, THR123A, THR123D, THR126A, THR126D, TYR127A, TYR127D, TYR77A, TYR77D, TYR88A, TYR88D, VAL33A, VAL33D, VAL55D
• A-E: ARG66A, ARG66E, ASP68A, ASP68E, ILE32A, ILE32E, PRO67A, PRO67E
• A-F: ALA104A, ALA104F, ARG35A, ARG35F, ARG36A, ARG36F, ASP30A, ASP30F, ASP31A, ASP31F, GLN29A, GLN29F, GLN37F, GLU103A, GLU103F, GLU109A, GLY108A, GLY28A, GLY28F, GLY34A, GLY34F, ILE25A, ILE25F, ILE27A, ILE27F, ILE32A, ILE32F, LEU26A, LEU26F, LYS106A, LYS106F, LYS23A, LYS23F, PHE110A, PHE110F, PRO24F, SER107A, VAL105A, VAL105F, VAL111F, VAL33A, VAL33F
• A-H: ALA85H, ALA86H, ARG66A, ARG80H, ASP30A, ASP31A, ASP68A, ASP82H, ASP83H, ASP99A, GLN29A, GLU100A, GLU103A, GLU109A, GLY34A, GLY69A, GLY84H, ILE102A, ILE32A, ILE87H, LEU56H, LEU81H, LYS106A, LYS130H, LYS132H, LYS54H, PRO129H, PRO57H, PRO67A, SER107A, SER128H, THR126H, TYR127H, TYR131H, VAL33A
• B-D: ARG66B, ARG66D, ASP68B, ASP68D, ILE32B, ILE32D, PRO67B
• B-E: ALA75B, ALA75E, ALA78B, ALA78E, ALA85B, ALA85E, ALA86B, ALA86E, ARG35B, ARG35E, ARG36B, ARG36E, ARG66B, ARG66E, ARG76B, ARG76E, ARG80B, ARG80E, ASN91B, ASN91E, ASN92B, ASN92E, ASP30B, ASP30E, ASP31B, ASP31E, ASP61B, ASP61E, GLN29B, GLN29E, GLN37B, GLN37E, GLN63B, GLN63E, GLU125B, GLU125E, GLU90B, GLU90E, GLY28B, GLY28E, GLY34B, GLY34E, GLY58B, GLY58E, GLY59B, GLY59E, GLY84B, GLY84E, ILE25B, ILE25E, ILE27B, ILE27E, ILE32B, ILE32E, ILE39B, ILE39E, ILE41B, ILE41E, ILE60B, ILE60E, ILE64B, ILE64E, ILE79B, ILE79E, ILE87B, ILE87E, ILE89B, ILE89E, LEU26B, LEU26E, LEU38B, LEU38E, LEU56B, LEU56E, LEU73B, LEU73E, LYS132B, LYS132E, MET135B, MET135E, PHE124B, PHE124E, PRO129B, PRO129E, PRO40B, PRO40E, PRO57B, PRO57E, SER128B, SER128E, SER62B, SER62E, SER74B, SER74E, THR123B, THR123E, THR126B, THR126E, TYR127B, TYR127E, TYR77B, TYR77E, TYR88B, TYR88E, VAL33B, VAL33E
• B-H: ASP82H, ASP83H, LYS132B
• D-E: ARG119D, ARG119E, ARG66D, ARG66E, ARG95D, ARG95E, ASN10D, ASN10E, ASN136D, ASN136E, ASN92D, ASN92E, ASP68D, ASP68E, CYS141D, CYS141E, CYS142D, CYS142E, CYS71D, CYS71E, GLU12D, GLU12E, GLU13D, GLU13E, GLU72D, GLU72E, GLU8D, GLU8E, GLY69D, GLY93D, GLY93E, HIS137D, HIS137E, ILE121D, ILE121E, ILE138D, ILE138E, ILE157D, ILE157E, ILE94D, ILE94E, LEU151D, LEU73D, LEU73E, LYS132D, LYS132E, LYS153D, LYS153E, LYS156D, LYS156E, LYS70D, LYS70E, MET134D, MET134E, MET135D, MET135E, MET9D, MET9E, PHE118D, PHE118E, PHE124D, PHE124E, PHE139D, PHE139E, PHE154D, PHE154E, PRO122D, PRO122E, SER158D, SER158E, THR120D, THR120E, THR123D, THR123E, THR96D, THR96E, TRP133D, TRP133E, TYR116D, TYR116E, TYR117D, TYR117E, TYR11D, TYR11E, TYR155D, TYR155E, VAL140D, VAL140E, VAL97D
• D-F: ALA85D, ALA86D, ARG66F, ARG80D, ASP30F, ASP31F, ASP68F, ASP82D, ASP83D, GLN29F, GLU100F, GLU103F, GLY34F, GLY69F, GLY84D, ILE102F, ILE32F, ILE87D, LEU56D, LEU81D, LYS106F, LYS130D, LYS132D, LYS54D, PRO129D, PRO57D, PRO67F, SER128D, THR126D, TYR127D, TYR131D, VAL33F
• D-G: ASN50D, ASP31G, ASP68G, ASP82D, ASP83D, ILE32G, LYS106G, LYS130D, PRO129D, PRO67G
• D-H: ASN136D, ASN136H, LYS130D, LYS130H, LYS132D, LYS132H, PRO129D, PRO129H, SER128D, SER128H, THR126D, TYR127D, TYR127H
• E-G: ASP99G, PRO98E
• E-H: ASN50H, ASP31E, ASP68E, ASP82H, ASP83H, ILE32E, LYS130H, PRO129H, PRO67E
• C-F: ARG119C, ARG119F, ARG66C, ARG66F, ARG95C, ARG95F, ASN10C, ASN10F, ASN136C, ASN136F, ASN92C, ASN92F, ASP68C, ASP68F, CYS141C, CYS141F, CYS142C, CYS142F, CYS71C, CYS71F, GLU12C, GLU12F, GLU13C, GLU13F, GLU72C, GLU72F, GLU8F, GLY69F, GLY93C, GLY93F, HIS137C, HIS137F, ILE121C, ILE121F, ILE138C, ILE138F, ILE157C, ILE157F, ILE94C, ILE94F, LEU73C, LEU73F, LYS132C, LYS132F, LYS153C, LYS153F, LYS156C, LYS156F, LYS70C, LYS70F, MET134C, MET134F, MET135C, MET135F, MET9C, MET9F, PHE118C, PHE118F, PHE124C, PHE139C, PHE139F, PHE154C, PHE154F, PRO122C, PRO122F, SER144C, SER158C, SER158F, THR120C, THR120F, THR123C, THR96C, THR96F, TRP133C, TRP133F, TYR116C, TYR116F, TYR117C, TYR117F, TYR11C, TYR11F, TYR155C, TYR155F, VAL140C, VAL140F, VAL97C, VAL97F
• C-G: ALA75C, ALA75G, ALA78C, ALA78G, ALA85C, ALA85G, ALA86C, ALA86G, ARG35C, ARG35G, ARG36C, ARG36G, ARG66C, ARG66G, ARG76C, ARG76G, ARG80C, ARG80G, ASN91C, ASN91G, ASN92C, ASN92G, ASP30C, ASP30G, ASP31C, ASP31G, ASP61C, ASP61G, GLN29C, GLN29G, GLN37C, GLN37G, GLN63C, GLN63G, GLU125C, GLU125G, GLU90C, GLU90G, GLY28C, GLY28G, GLY34C, GLY34G, GLY58C, GLY58G, GLY59C, GLY59G, GLY84C, GLY84G, ILE25C, ILE25G, ILE27C, ILE27G, ILE32C, ILE32G, ILE39C, ILE39G, ILE41C, ILE41G, ILE60C, ILE60G, ILE64C, ILE64G, ILE79C, ILE79G, ILE87C, ILE87G, ILE89C, ILE89G, LEU26C, LEU26G, LEU38C, LEU38G, LEU56C, LEU56G, LEU73C, LEU73G, LYS132C, LYS132G, MET135C, MET135G, PHE124C, PHE124G, PRO129C, PRO129G, PRO40C, PRO40G, PRO57C, PRO57G, SER128C, SER128G, SER62C, SER62G, SER74C, SER74G, THR126C, THR126G, TYR127C, TYR127G, TYR77C, TYR77G, TYR88C, TYR88G, VAL33C, VAL33G, VAL55C
• C-H: ARG66C, ARG66H, ASP68C, ASP68H, ILE32C, ILE32H, PRO67C, PRO67H
• F-G: ARG66F, ARG66G, ASP68F, ASP68G, ILE32F, ILE32G, PRO67F, PRO67G
• F-H: ALA75F, ALA75H, ALA78F, ALA78H, ALA85F, ALA85H, ALA86F, ALA86H, ARG35F, ARG35H, ARG36F, ARG36H, ARG66F, ARG66H, ARG76F, ARG76H, ARG80F, ARG80H, ASN136H, ASN91F, ASN91H, ASN92F, ASN92H, ASP30F, ASP30H, ASP31F, ASP31H, ASP61F, ASP61H, GLN29F, GLN29H, GLN37F, GLN37H, GLN63F, GLN63H, GLU125F, GLU125H, GLU90F, GLU90H, GLY28F, GLY28H, GLY34F, GLY34H, GLY58F, GLY58H, GLY59F, GLY59H, GLY84F, GLY84H, ILE25F, ILE25H, ILE27F, ILE27H, ILE32F, ILE32H, ILE39F, ILE39H, ILE41F, ILE41H, ILE60F, ILE60H, ILE64F, ILE64H, ILE79F, ILE79H, ILE87F, ILE87H, ILE89F, ILE89H, LEU26F, LEU26H, LEU38F, LEU38H, LEU56F, LEU56H, LEU73F, LEU73H, LYS132F, LYS132H, MET135F, MET135H, PHE124F, PHE124H, PRO129F, PRO129H, PRO40F, PRO40H, PRO57F, PRO57H, SER128F, SER128H, SER62F, SER62H, SER74F, SER74H, THR123F, THR123H, THR126F, THR126H, TYR127F, TYR127H, TYR77F, TYR77H, TYR88F, TYR88H, VAL33F, VAL33H
• G-H: ALA115G, ALA143G, ARG119G, ARG119H, ARG145G, ARG95G, ARG95H, ASN10G, ASN10H, ASN114G, ASN136G, ASN136H, ASN5H, ASN92G, ASN92H, ASP68G, ASP68H, CYS141G, CYS141H, CYS142G, CYS142H, CYS71G, CYS71H, GLU12G, GLU12H, GLU13G, GLU13H, GLU72G, GLU72H, GLU8H, GLY69H, GLY93G, GLY93H, HIS137G, HIS137H, ILE121G, ILE121H, ILE138G, ILE138H, ILE157G, ILE157H, ILE17G, ILE6H, ILE94G, ILE94H, LEU146G, LEU151G, LEU152G, LEU73G, LEU73H, LYS132G, LYS132H, LYS153G, LYS153H, LYS156G, LYS156H, LYS70G, LYS70H, LYS7H, MET134G, MET134H, MET135G, MET135H, MET9G, MET9H, PHE118G, PHE118H, PHE124G, PHE124H, PHE139G, PHE139H, PHE154G, PHE154H, PHE15G, PRO113G, PRO122G, PRO122H, SER144G, SER158G, SER158H, SER16G, THR120G, THR120H, THR123G, THR123H, THR18G, THR96G, THR96H, TRP133G, TRP133H, TYR116G, TYR116H, TYR117G, TYR117H, TYR11G, TYR11H, TYR155G, TYR155H, VAL140G, VAL140H, VAL150G, VAL97H