3H43

n-terminal domain of the proteasome-activating nucleotidase of methanocaldococcus jannaschii

• Total interactions analyzed: 66
• Total true interactions: 25
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 30
  • Norm. En. per Res.: -6.7798
• 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	-41.426	-43.2759	-239.735	-324.4369	83	16	12	10131	4	33	37
A-C	-34.9311	-66.459	-102.004	-203.3941	30	5	1	3925	9	27	27
A-D	-7.0741	-1.8927	-75.6182	-84.585	43	3	1	3442	0	16	15
A-F	-45.0713	-4.0777	-135.359	-184.508	48	15	8	5662	0	5	6
B-C	-4.5112	5.2531	-15.2939	-14.552	30	6	0	1539	0	17	15
B-D	0.0	-11.5238	-6.325	-17.8488	11	0	0	267	2	5	3
B-I	-32.9832	0.0	-116.755	-149.7382	51	15	6	5158	0	3	6
C-D	-54.265	-74.5336	-257.593	-386.3916	82	15	11	10362	5	35	39
C-L	-41.9143	0.0	-123.77	-165.6843	51	11	7	5218	0	5	7
D-G	-35.3124	-10.6546	-125.296	-171.263	51	16	7	5701	0	3	6
E-F	-58.6258	-58.6121	-257.064	-374.3018	80	33	11	10544	8	32	38
E-G	-9.6413	-55.1937	-87.115	-151.95	31	9	1	3413	7	27	27
E-H	-10.9844	-5.6125	-77.1893	-93.7863	42	6	1	3426	0	18	14
E-J	-47.3773	0.0	-126.064	-173.4413	51	15	7	5575	0	3	5
F-G	0.0	8.0453	-30.993	-22.9477	37	6	1	1569	0	17	13
F-H	0.0	-10.9114	-5.123	-16.0344	10	0	0	215	2	4	2
G-H	-46.5553	-45.7135	-242.072	-334.3409	81	16	10	10174	5	34	39
H-J	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	0	0
H-K	-31.9112	-18.9097	-149.7	-200.5209	55	9	8	6184	1	4	7
I-J	-66.604	-90.6739	-252.458	-409.7359	85	26	11	10386	5	33	42
I-K	-29.1101	-16.4265	-84.4137	-129.9503	31	10	1	3622	8	27	26
I-L	-5.0199	5.882	-45.7365	-44.8743	33	10	1	1708	0	17	14
J-K	-19.0854	2.9629	-77.6532	-93.7757	40	5	1	3572	0	16	16
J-L	-5.3367	-9.053	-2.322	-16.7118	10	1	0	199	1	5	3
K-L	-60.7966	-92.4389	-248.546	-401.7815	86	20	11	10518	11	34	39

Interface residues

• A-B: ARG104B, ARG134A, ARG81A, ARG81B, ARG82A, ARG82B, ARG86A, ARG86B, ARG88A, ARG88B, ASN119B, ASN138B, ASN77A, ASN77B, ASP146A, ASP85A, ASP85B, ASP99B, CYS136A, GLN139A, GLN139B, GLN140B, GLU76A, GLU76B, GLU78A, GLU78B, GLU83A, GLU83B, GLY102B, GLY113A, GLY113B, GLY95A, HIS122B, ILE79A, ILE79B, ILE93A, LEU117B, LEU137A, LEU137B, LEU142B, LEU148A, LEU80A, LEU80B, LEU84A, LEU84B, LEU92A, LYS100B, LYS105B, LYS109B, LYS75A, LYS75B, PHE116B, PHE123B, PRO114A, PRO114B, PRO149A, PRO90A, PRO91A, SER110A, SER110B, SER111A, SER115B, SER121B, THR112A, THR112B, THR141B, THR143B, THR96A, VAL101B, VAL106B, VAL107B, VAL108B, VAL118B, VAL120B, VAL124B, VAL135A, VAL144B, VAL145A, VAL145B, VAL147A, VAL89A, VAL94A, VAL98B
• A-C: ARG81A, ARG81C, ARG82A, ARG82C, ARG86A, ARG86C, ARG88A, ARG88C, ASN77A, ASN77C, ASP85A, ASP85C, GLN139A, GLN140A, GLU78A, GLU78C, GLU83A, GLU83C, ILE79A, ILE79C, LEU80A, LEU80C, LEU84A, LEU84C, LYS75C, PRO90A, PRO90C, PRO91A, VAL89A, VAL89C
• A-D: ARG104D, ARG81A, ARG81D, ARG82D, ARG86A, ARG86D, ARG88A, ASN119A, ASN119D, ASN125A, ASN138A, ASN77D, ASP128A, ASP146A, ASP85A, CYS136A, GLN139A, GLN140A, GLN140D, GLU76D, GLU78A, GLU78D, GLU83D, HIS122A, ILE79D, LEU137A, LEU142A, LEU148A, LEU80D, LEU92A, LYS105D, LYS75D, PHE123A, PRO90A, SER121A, THR141A, THR143A, VAL120A, VAL124A, VAL144A, VAL145A, VAL147A, VAL89A
• A-F: ARG104A, ARG134F, ARG88F, ASN119A, ASN138A, ASP146F, ASP99A, CYS136F, GLN139F, GLN140A, GLY113A, GLY113F, GLY95F, ILE93F, LEU117A, LEU137F, LEU142A, LEU148F, LEU92F, LYS100A, LYS105A, LYS109A, PHE116A, PRO114A, PRO114F, PRO149F, PRO90F, PRO91F, SER110A, SER110F, SER111F, SER115A, THR112A, THR112F, THR141A, THR143A, VAL101A, VAL106A, VAL107A, VAL108A, VAL118A, VAL120A, VAL135F, VAL145F, VAL147F, VAL89F, VAL94F, VAL98A
• B-C: ARG104B, ARG81C, ARG82B, ARG82C, ARG86B, ARG88C, ASN119B, ASN125C, ASN138C, ASN77C, ASP128C, GLN140B, GLN140C, GLU103B, GLU78B, GLU78C, GLU83B, HIS122C, ILE79B, LEU80B, LYS105B, LYS75B, LYS75C, PHE123C, PRO126C, SER121C, THR141B, VAL124C, VAL145C, VAL89C
• B-D: ARG104B, ASN119B, ASN77D, GLU76D, ILE79B, ILE79D, LEU117B, LEU80D, LYS105B, LYS105D, LYS75D
• B-I: ARG104I, ARG134B, ARG88B, ASN119I, ASP146B, ASP99I, CYS136B, GLN139B, GLN139I, GLN140I, GLY102I, GLY113B, GLY113I, GLY95B, ILE93B, LEU117I, LEU137B, LEU137I, LEU142B, LEU142I, LEU148B, LEU92B, LYS100I, LYS105I, LYS109I, PHE116I, PRO114B, PRO114I, PRO149B, PRO90B, PRO91B, SER110B, SER110I, SER111B, SER115I, THR112B, THR112I, THR141I, THR143I, VAL101I, VAL106I, VAL107I, VAL108I, VAL118I, VAL120I, VAL135B, VAL145B, VAL147B, VAL89B, VAL94B, VAL98I
• C-D: ARG104D, ARG134C, ARG81C, ARG81D, ARG82C, ARG82D, ARG86C, ARG86D, ARG88C, ASN119D, ASN138D, ASN77C, ASN77D, ASP146C, ASP85C, ASP85D, ASP99D, CYS136C, GLN139C, GLN139D, GLN140D, GLU103D, GLU76C, GLU76D, GLU78C, GLU78D, GLU83C, GLU83D, GLY102D, GLY113C, GLY113D, GLY95C, HIS122D, ILE79C, ILE79D, ILE93C, LEU117D, LEU137C, LEU137D, LEU142D, LEU148C, LEU80C, LEU80D, LEU84C, LEU84D, LEU92C, LYS100D, LYS105D, LYS109D, LYS75C, LYS75D, PHE116D, PHE123D, PRO114C, PRO114D, PRO126D, PRO149C, PRO90C, PRO91C, SER110C, SER110D, SER111C, SER115D, SER121D, THR112C, THR112D, THR141D, THR143D, VAL101D, VAL106D, VAL107D, VAL108D, VAL118D, VAL120D, VAL124D, VAL135C, VAL144D, VAL145C, VAL147C, VAL89C, VAL94C, VAL98D
• C-L: ARG104C, ARG134L, ARG88L, ASN119C, ASN138C, ASP146L, ASP99C, CYS136L, GLN139C, GLN139L, GLN140C, GLY113C, GLY113L, GLY95L, ILE93L, LEU117C, LEU137C, LEU137L, LEU142C, LEU148L, LEU151L, LEU92L, LYS100C, LYS105C, LYS109C, PHE116C, PRO114C, PRO114L, PRO149L, PRO90L, PRO91L, SER110C, SER110L, SER111L, SER115C, THR112C, THR112L, THR141C, THR143C, VAL101C, VAL106C, VAL107C, VAL108C, VAL118C, VAL120C, VAL135L, VAL145L, VAL147L, VAL89L, VAL94L, VAL98C
• D-G: ARG104G, ARG134D, ARG88D, ASN119G, ASN138G, ASP146D, ASP99G, CYS136D, GLN139D, GLN139G, GLN140G, GLY113D, GLY113G, GLY95D, ILE93D, LEU117G, LEU137D, LEU137G, LEU142D, LEU142G, LEU148D, LEU92D, LYS100G, LYS105G, LYS109G, PHE116G, PRO114D, PRO114G, PRO149D, PRO90D, PRO91D, SER110D, SER110G, SER111D, SER115G, THR112D, THR112G, THR141G, THR143G, VAL101G, VAL106G, VAL107G, VAL108G, VAL118G, VAL120G, VAL135D, VAL145D, VAL147D, VAL89D, VAL94D, VAL98G
• E-F: ARG104F, ARG134E, ARG81E, ARG81F, ARG82E, ARG82F, ARG86E, ARG86F, ARG88E, ASN119F, ASN138F, ASN77E, ASN77F, ASP146E, ASP85E, ASP85F, ASP99F, CYS136E, GLN139E, GLN139F, GLN140F, GLU103F, GLU76E, GLU76F, GLU78E, GLU78F, GLU83E, GLU83F, GLY113E, GLY113F, GLY95E, HIS122F, ILE79E, ILE79F, ILE93E, LEU117F, LEU137E, LEU137F, LEU142F, LEU148E, LEU80E, LEU80F, LEU84E, LEU84F, LEU92E, LYS100F, LYS105F, LYS109F, LYS75F, PHE116F, PHE123F, PRO114E, PRO114F, PRO126F, PRO149E, PRO90E, PRO91E, SER110E, SER110F, SER111E, SER115F, SER121F, THR112E, THR112F, THR141F, THR143F, VAL101F, VAL106F, VAL107F, VAL108F, VAL118F, VAL120F, VAL124F, VAL135E, VAL144F, VAL145E, VAL145F, VAL89E, VAL94E, VAL98F
• E-G: ARG81E, ARG81G, ARG82E, ARG82G, ARG86E, ARG86G, ARG88E, ARG88G, ASN138E, ASN77E, ASN77G, ASP85E, ASP85G, GLN139E, GLN140E, GLU78E, GLU78G, GLU83E, GLU83G, ILE79E, ILE79G, LEU80E, LEU80G, LEU84E, LEU84G, LYS75G, PRO90E, PRO90G, PRO91E, VAL89E, VAL89G
• E-H: ARG104E, ARG104H, ARG81E, ARG81H, ARG82H, ARG86E, ARG86H, ARG88E, ASN119E, ASN119H, ASN125E, ASN138E, ASN77H, ASP128E, ASP146E, ASP85E, ASP85H, CYS136E, GLN139E, GLN140E, GLN140H, GLU76H, GLU78H, GLU83H, HIS122E, ILE79H, LEU137E, LEU142E, LEU80H, LEU92E, LYS75H, PHE123E, PRO90E, PRO91E, SER121E, THR141E, THR143E, VAL124E, VAL144E, VAL145E, VAL147E, VAL89E
• E-J: ARG104E, ARG134J, ARG88J, ASN119E, ASN138E, ASP146J, ASP99E, CYS136J, GLN139E, GLN139J, GLN140E, GLY102E, GLY113E, GLY113J, GLY95J, ILE93J, LEU117E, LEU137E, LEU137J, LEU142E, LEU148J, LEU92J, LYS100E, LYS105E, LYS109E, PHE116E, PRO114E, PRO114J, PRO149J, PRO90J, PRO91J, SER110E, SER110J, SER111J, SER115E, THR112E, THR112J, THR141E, THR143E, VAL101E, VAL106E, VAL107E, VAL108E, VAL118E, VAL120E, VAL135J, VAL145J, VAL147J, VAL89J, VAL94J, VAL98E
• F-G: ARG104F, ARG104G, ARG81F, ARG81G, ARG82F, ARG82G, ARG86F, ARG88G, ASN119F, ASN125G, ASN138G, ASN77F, ASN77G, ASP146G, ASP85G, GLN140F, GLN140G, GLU76F, GLU78F, GLU78G, GLU83F, HIS122G, ILE79F, LEU80F, LYS105F, LYS75F, PHE123G, PRO90G, SER121G, THR141F, THR141G, THR143G, VAL120G, VAL124G, VAL144G, VAL145G, VAL89G
• F-H: ASN119F, ASN77H, GLU76F, GLU76H, ILE79H, LEU117F, LEU80H, LYS105F, LYS105H, LYS75H
• G-H: ARG104H, ARG134G, ARG81G, ARG81H, ARG82G, ARG82H, ARG86G, ARG86H, ARG88G, ASN119H, ASN138H, ASN77G, ASN77H, ASP146G, ASP85G, ASP85H, ASP99H, CYS136G, GLN139G, GLN139H, GLN140H, GLU103H, GLU76G, GLU76H, GLU78G, GLU78H, GLU83G, GLU83H, GLY102H, GLY113G, GLY113H, GLY95G, HIS122H, ILE79G, ILE79H, ILE93G, LEU117H, LEU137G, LEU137H, LEU142G, LEU142H, LEU148G, LEU80G, LEU80H, LEU84G, LEU84H, LEU92G, LYS100H, LYS105H, LYS109H, LYS75H, PHE116H, PHE123H, PRO114G, PRO114H, PRO126H, PRO149G, PRO90G, PRO91G, SER110G, SER110H, SER111G, SER115H, SER121H, THR112G, THR112H, THR141H, THR143H, VAL101H, VAL106H, VAL107H, VAL108H, VAL118H, VAL120H, VAL135G, VAL144H, VAL145G, VAL147G, VAL89G, VAL94G, VAL98H
• H-J: ARG82H, PRO91J
• H-K: ARG104K, ARG134H, ARG88H, ASN119K, ASN138H, ASN138K, ASP146H, ASP99K, CYS136H, GLN139H, GLN139K, GLN140K, GLU150H, GLY102K, GLY113H, GLY113K, GLY95H, ILE93H, LEU117K, LEU137H, LEU137K, LEU142K, LEU148H, LEU151H, LEU92H, LYS100K, LYS105K, LYS109K, PHE116K, PRO114H, PRO114K, PRO131K, PRO149H, PRO90H, PRO91H, SER110H, SER110K, SER111H, SER115K, THR112H, THR112K, THR141K, THR143K, VAL101K, VAL106K, VAL107K, VAL108K, VAL118K, VAL120K, VAL135H, VAL145H, VAL147H, VAL89H, VAL94H, VAL98K
• I-J: ARG104J, ARG134I, ARG81I, ARG81J, ARG82I, ARG82J, ARG86I, ARG86J, ARG88I, ASN119J, ASN138J, ASN77I, ASN77J, ASP146I, ASP85I, ASP85J, ASP99J, CYS136I, GLN139I, GLN139J, GLN140J, GLU103J, GLU150I, GLU76I, GLU76J, GLU78I, GLU78J, GLU83I, GLU83J, GLY102J, GLY113I, GLY113J, GLY95I, HIS122J, ILE79I, ILE79J, ILE93I, LEU117J, LEU137I, LEU137J, LEU142J, LEU148I, LEU151I, LEU80I, LEU80J, LEU84I, LEU84J, LEU92I, LYS100J, LYS105J, LYS109J, LYS75I, LYS75J, PHE116J, PHE123J, PRO114I, PRO114J, PRO126J, PRO149I, PRO90I, PRO91I, SER110I, SER110J, SER111I, SER115J, SER121J, THR112I, THR112J, THR141J, THR143J, VAL101J, VAL106J, VAL107J, VAL108J, VAL118J, VAL120J, VAL124J, VAL135I, VAL144J, VAL145I, VAL145J, VAL147I, VAL89I, VAL94I, VAL98J
• I-K: ARG81I, ARG81K, ARG82I, ARG82K, ARG86I, ARG86K, ARG88I, ARG88K, ASN138K, ASN77I, ASN77K, ASP85I, ASP85K, GLN139K, GLN140K, GLU78I, GLU78K, GLU83I, GLU83K, ILE79I, ILE79K, LEU80I, LEU80K, LEU84I, LEU84K, LYS75I, PRO90I, PRO90K, PRO91K, VAL89I, VAL89K
• I-L: ARG104I, ARG104L, ARG81I, ARG81L, ARG82I, ARG82L, ARG86L, ARG88I, ASN119L, ASN125I, ASN77I, ASN77L, ASP146I, GLN140I, GLN140L, GLU103L, GLU76L, GLU78I, GLU78L, GLU83L, HIS122I, ILE79L, LEU80L, LYS105L, LYS75I, LYS75L, PHE123I, PRO126I, SER121I, THR141L, THR143I, VAL124I, VAL145I
• J-K: ARG81J, ARG82J, ARG86J, ARG86K, ARG88K, ASN119J, ASN119K, ASN125K, ASN138K, ASN77J, ASP128K, ASP146K, ASP85J, CYS136K, GLN139K, GLN140J, GLN140K, GLU76J, GLU78J, GLU83J, HIS122K, ILE79J, LEU129K, LEU137K, LEU142K, LEU148K, LEU80J, LEU92K, LYS75J, PHE123K, PRO90K, SER121K, THR141K, THR143K, VAL120K, VAL124K, VAL144K, VAL145K, VAL147K, VAL89K
• J-L: ARG104L, ASN77J, GLU103L, GLU76J, GLY102L, ILE79J, LEU117L, LEU80J, LYS105L, LYS75J
• K-L: ARG104L, ARG134K, ARG81K, ARG81L, ARG82K, ARG82L, ARG86K, ARG86L, ARG88K, ASN119L, ASN138L, ASN77K, ASN77L, ASP146K, ASP85K, ASP85L, ASP99L, CYS136K, GLN139K, GLN139L, GLN140L, GLU103L, GLU76K, GLU76L, GLU78K, GLU78L, GLU83K, GLU83L, GLY102L, GLY113K, GLY113L, GLY95K, HIS122L, ILE79K, ILE79L, ILE93K, LEU117L, LEU137K, LEU137L, LEU142L, LEU148K, LEU151K, LEU80K, LEU80L, LEU84K, LEU84L, LEU92K, LYS100L, LYS105L, LYS109K, LYS109L, LYS75K, LYS75L, PHE116L, PHE123L, PRO114K, PRO114L, PRO131L, PRO149K, PRO90K, PRO91K, SER110K, SER110L, SER111K, SER111L, SER115L, SER121L, THR112K, THR112L, THR141L, THR143L, THR96K, VAL101L, VAL106L, VAL107L, VAL108L, VAL118L, VAL120L, VAL124L, VAL135K, VAL144L, VAL145K, VAL145L, VAL89K, VAL94K, VAL98L