2J4E

the itp complex of human inosine triphosphatase

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: F-G
  • Int. Res.: 95
  • Norm. En. per Res.: -3.657
• Hub Node: B(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	-30.24	0.0	-300.097	-330.337	94	13	8	11356	0	9	16
A-F	-23.052	3.7584	-46.011	-65.3046	34	4	1	1765	0	3	2
A-H	0.0	7.7963	-88.2446	-80.4483	60	0	7	3692	0	16	22
B-C	0.0	5.3178	-67.9642	-62.6464	55	3	5	3620	0	19	19
B-D	-3.6013	-85.9832	-49.7597	-139.3441	48	4	0	2361	8	25	18
B-F	-27.5356	-7.0443	-73.0066	-107.5865	76	6	0	3398	2	19	28
B-G	-16.0119	1.1624	-50.4347	-65.2842	31	1	0	1848	0	3	2
C-D	-17.3535	-34.0074	-99.8995	-151.2604	81	9	0	4315	3	20	30
C-F	0.0	-96.5846	-56.6525	-153.2371	44	5	0	2297	10	22	17
D-E	-9.3668	0.3433	-14.8901	-23.9136	26	1	0	641	0	12	10
D-F	0.0	14.3211	-75.6321	-61.3109	58	2	4	3744	0	18	19
E-F	0.0	2.9262	-44.8592	-41.933	34	0	0	1703	0	18	16
F-G	-31.8044	0.0	-315.609	-347.4134	95	11	8	11380	0	8	16

Interface residues

• A-B: ALA105A, ALA105B, ALA79A, ALA79B, ARG62A, ARG62B, ASN78A, ASN78B, ASP109A, ASP109B, ASP72A, ASP72B, CYS74A, GLN102A, GLN102B, GLN46A, GLN46B, GLN55A, GLN55B, GLU108A, GLU108B, GLU44A, GLU44B, GLU48A, GLU48B, GLU51A, GLU51B, GLU59A, GLU59B, GLU93A, GLU93B, GLU98A, GLU98B, GLY106A, GLY106B, GLY47A, GLY47B, GLY81A, GLY81B, GLY82A, GLY82B, GLY85A, GLY85B, GLY99A, GLY99B, HIS101A, HIS101B, ILE52A, ILE52B, ILE88A, ILE88B, LEU100A, LEU100B, LEU103A, LEU103B, LEU104A, LEU104B, LEU42A, LEU42B, LEU80A, LEU80B, LEU83A, LEU83B, LEU92A, LEU92B, LEU95A, LEU95B, LYS56A, LYS56B, LYS89A, LYS89B, LYS94A, LYS94B, PHE107A, PHE107B, PHE77A, PHE77B, PHE91A, PHE91B, PRO43A, PRO43B, PRO49A, PRO49B, PRO84A, PRO84B, PRO86A, PRO86B, TRP90A, TRP90B, TYR113B, TYR45A, TYR45B, TYR87A, TYR87B
• A-F: ALA193F, ALA2F, ALA3F, ARG130F, ASP124F, ASP41A, GLN127F, GLN63A, GLU187F, GLU93A, GLU98A, GLY190F, GLY99A, LEU192F, LEU92A, LEU95A, LYS39A, LYS89A, LYS94A, LYS96A, MET1F, PHE189F, PHE91A, PRO128F, PRO43A, PRO97A, SER0F, SER126F, SER191F, SER4F, THR122F, TRP90A, TYR188F, VAL6F
• A-H: ALA170A, ALA170H, ALA174A, ALA174H, ARG139H, ARG144H, ARG180A, ARG180H, ASN173A, ASN173H, ASP158A, ASP158H, ASP29A, ASP29H, GLN156H, GLN162A, GLN162H, GLN186A, GLN186H, GLN25A, GLN25H, GLU161A, GLU161H, GLU171A, GLU171H, GLU187A, GLU187H, GLY159A, GLY159H, GLY28A, GLY28H, ILE26A, ILE26H, LEU183A, LEU183H, LEU27A, LEU27H, LYS169A, LYS169H, LYS172A, LYS172H, LYS30A, LYS30H, MET167A, MET167H, PHE179A, PHE179H, PHE31A, PHE31H, PRO157A, PRO157H, PRO168A, PRO168H, PRO32A, SER176A, SER176H, TYR160A, TYR160H, VAL175A, VAL175H
• B-C: ALA170B, ALA170C, ALA174B, ALA174C, ARG180B, ARG180C, ASN173B, ASN173C, ASP158B, ASP158C, GLN156B, GLN162B, GLN162C, GLN186B, GLN186C, GLN25B, GLN25C, GLU161B, GLU161C, GLU166B, GLU166C, GLU171B, GLU171C, GLU187B, GLU187C, GLY159B, GLY159C, GLY190B, GLY190C, GLY28B, GLY28C, ILE26B, ILE26C, LEU183B, LEU183C, LEU27C, LYS169B, LYS169C, LYS172B, LYS172C, LYS30B, LYS30C, MET167B, MET167C, PHE179B, PHE179C, PHE189B, PRO168B, PRO168C, SER176C, SER191B, TYR160B, TYR160C, VAL175B, VAL175C
• B-D: ALA105B, ALA105D, ALA112B, ALA112D, ALA142B, ALA142D, ALA79B, ALA79D, ARG135B, ARG135D, ARG139B, ARG139D, ARG144B, ARG144D, ASN78B, ASN78D, ASP109B, ASP109D, ASP158B, ASP158D, GLN102D, GLN156B, GLN156D, GLU108B, GLU108D, GLU161B, GLU161D, GLY138B, GLY138D, GLY159B, GLY159D, HIS101B, HIS101D, ILE140B, ILE140D, LEU104B, LEU104D, LYS110B, LYS110D, PHE107B, PHE107D, SER111B, SER111D, SER137B, SER137D, TYR113B, VAL141B, VAL141D
• B-F: ALA193F, ALA2B, ALA2F, ALA3B, ALA3F, ALA79B, ALA79F, ARG130B, ARG130F, ARG133B, ARG133F, ARG135B, ARG135F, ASN78B, ASN78F, ASP50B, ASP50F, CYS76B, GLN127B, GLN127F, GLN46F, GLN55B, GLN55F, GLU184B, GLU184F, GLU187B, GLU187F, GLU48B, GLU48F, GLU51B, GLU51F, GLY190B, GLY190F, GLY47B, GLY47F, GLY81B, GLY81F, GLY82B, GLY82F, ILE54B, ILE54F, LEU115B, LEU115F, LEU131B, LEU131F, LEU183B, LEU183F, LEU192B, LEU192F, LEU80B, LEU80F, LEU83B, LEU83F, MET1B, MET1F, PHE132B, PHE132F, PHE77B, PRO128B, PRO128F, PRO49B, PRO49F, SER0B, SER0F, SER191B, SER191F, THR117B, THR117F, TYR113B, TYR113F, TYR188B, TYR188F, TYR87B, TYR87F, VAL129B, VAL129F
• B-G: ALA193B, ALA2B, ALA3B, ASP124B, ASP41G, GLN127B, GLN63G, GLU187B, GLU93G, GLY190B, ILE40G, LEU192B, LEU42G, LEU92G, LEU95G, LYS39G, LYS89G, LYS8B, LYS94G, LYS96G, MET1B, PHE189B, PHE91G, PRO128B, PRO43G, SER0B, SER126B, SER191B, SER4B, TRP90G, TYR188B
• C-D: ALA193C, ALA193D, ALA2C, ALA2D, ALA3C, ALA3D, ALA79C, ALA79D, ARG130C, ARG130D, ARG133C, ARG133D, ARG135C, ARG135D, ARG180C, ARG180D, ASN78C, ASN78D, ASP50C, ASP50D, CYS76C, CYS76D, GLN127C, GLN127D, GLN46C, GLN55C, GLN55D, GLU184C, GLU184D, GLU187C, GLU187D, GLU48C, GLU48D, GLU51C, GLU51D, GLY190C, GLY190D, GLY47C, GLY47D, GLY81C, GLY81D, GLY82C, GLY82D, ILE52C, ILE52D, ILE54C, ILE54D, LEU115C, LEU115D, LEU131C, LEU131D, LEU183C, LEU183D, LEU192C, LEU192D, LEU80C, LEU80D, LEU83C, LEU83D, MET1C, MET1D, PHE132C, PHE132D, PHE77C, PHE77D, PRO128C, PRO128D, PRO49C, PRO49D, SER0C, SER0D, SER191C, SER191D, THR117C, THR117D, TYR113C, TYR113D, TYR188C, TYR188D, VAL129C, VAL129D
• C-F: ALA105C, ALA105F, ALA112F, ALA142C, ALA142F, ALA79C, ALA79F, ARG135C, ARG135F, ARG139C, ARG139F, ARG144C, ARG144F, ASN78C, ASN78F, ASP109C, ASP109F, ASP158C, ASP158F, GLN156C, GLN156F, GLU108C, GLU108F, GLU161C, GLU161F, GLY138F, GLY159C, GLY159F, HIS101C, HIS101F, ILE140C, ILE140F, LEU104C, LEU104F, LYS110C, LYS110F, PHE107C, PHE107F, SER111C, SER111F, SER137C, SER137F, VAL141C, VAL141F
• D-E: ALA170E, ASN173E, ASP29D, ASP29E, CYS146E, CYS33D, GLN147E, GLN25D, GLN25E, GLU171E, GLU21D, GLU21E, GLY28D, LEU27D, LYS169E, LYS172E, LYS30D, LYS9D, MET167E, PHE31D, PRO168E, PRO32D, THR34D, VAL24D, VAL24E, VAL36D
• D-F: ALA165D, ALA170D, ALA170F, ALA174D, ALA174F, ARG180D, ARG180F, ASN173D, ASN173F, ASP158F, ASP29D, CYS146D, GLN156D, GLN156F, GLN162D, GLN162F, GLN186D, GLN186F, GLN25D, GLN25F, GLU161D, GLU161F, GLU166D, GLU166F, GLU171D, GLU171F, GLU187D, GLU187F, GLY145D, GLY159D, GLY159F, GLY190D, GLY190F, GLY28D, GLY28F, ILE26D, ILE26F, LEU183D, LEU183F, LYS169D, LYS169F, LYS172D, LYS172F, LYS30D, LYS30F, MET167D, MET167F, PHE179D, PHE179F, PRO157F, PRO168D, PRO168F, SER176D, SER191F, TYR160D, TYR160F, VAL175D, VAL175F
• E-F: ALA142E, ALA165E, ALA165F, ALA170F, ARG144E, ASP148E, ASP148F, CYS146E, CYS146F, GLN147E, GLN147F, GLN162E, GLN162F, GLN25F, GLU166E, GLU166F, GLU171F, GLU21F, GLU98E, GLY145E, GLY145F, GLY150E, LYS169F, LYS18E, LYS18F, LYS96E, MET167F, PHE149E, PRO143E, PRO153E, PRO168F, PRO97E, THR163F, TYR164F
• F-G: ALA105F, ALA105G, ALA79F, ALA79G, ARG62F, ARG62G, ASN78F, ASN78G, ASP109F, ASP109G, ASP72F, ASP72G, CYS74F, CYS74G, GLN102F, GLN102G, GLN46F, GLN46G, GLN55F, GLN55G, GLU108F, GLU108G, GLU44F, GLU44G, GLU48F, GLU48G, GLU51F, GLU51G, GLU59F, GLU59G, GLU93F, GLU93G, GLU98F, GLU98G, GLY106F, GLY106G, GLY47F, GLY47G, GLY81F, GLY81G, GLY82F, GLY82G, GLY85F, GLY85G, GLY99F, GLY99G, HIS101F, HIS101G, ILE52F, ILE52G, ILE88F, ILE88G, LEU100F, LEU100G, LEU103F, LEU103G, LEU104F, LEU104G, LEU42F, LEU42G, LEU80F, LEU80G, LEU83F, LEU83G, LEU92F, LEU92G, LEU95F, LEU95G, LYS110F, LYS56F, LYS56G, LYS89F, LYS89G, LYS94F, LYS94G, PHE107F, PHE107G, PHE77F, PHE77G, PHE91F, PHE91G, PRO43F, PRO43G, PRO49F, PRO49G, PRO84F, PRO84G, PRO86F, PRO86G, TRP90F, TRP90G, TYR45F, TYR45G, TYR87F, TYR87G