1V8P

crystal structure of pae2754 from pyrobaculum aerophilum

• Total interactions analyzed: 66
• Total true interactions: 20
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 58
  • Norm. En. per Res.: -4.6355
• Hub Node: A(3)

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	0.0	-68.8605	-452.073	-520.9335	125	23	18	17521	7	43	27
A-C	-46.9908	-96.8563	-125.011	-268.858	58	10	0	4391	4	36	16
A-D	0.0	0.0	-8.6382	-8.6382	22	0	0	477	0	8	13
B-C	0.0	0.0	-7.9932	-7.9932	23	0	0	476	0	8	13
B-D	-33.9102	-106.8807	-124.116	-264.9069	59	10	0	4366	5	36	16
C-D	-5.4364	-66.69	-450.373	-522.4994	123	29	19	17450	7	41	27
C-L	-6.3611	-15.2379	-54.2793	-75.8783	48	10	0	3030	1	13	10
D-F	0.0	-7.448	-62.4964	-69.9444	47	3	0	3133	0	12	8
E-F	-13.1426	-70.7554	-445.966	-529.864	126	22	18	17338	7	41	27
E-G	-44.039	-98.3457	-119.204	-261.5887	59	8	0	4296	5	36	16
E-H	0.0	0.0	-8.5868	-8.5868	22	0	0	475	0	8	13
F-G	0.0	0.0	-6.4516	-6.4516	23	0	0	426	0	8	13
F-H	-34.7881	-90.8902	-122.734	-248.4123	59	6	0	4347	4	36	16
G-H	-6.2007	-64.8688	-455.809	-526.8785	126	24	18	17499	5	42	27
I-J	-4.6068	-70.8888	-446.172	-521.6676	122	25	18	17402	6	43	26
I-K	-36.9547	-88.7895	-108.017	-233.7612	59	13	0	4236	6	36	16
I-L	0.0	0.0	-6.1263	-6.1263	20	0	0	380	0	7	13
J-K	0.0	0.0	-7.1526	-7.1526	21	0	0	410	0	8	13
J-L	-39.0224	-99.7628	-118.847	-257.6321	58	7	0	4291	5	36	16
K-L	-7.4155	-67.509	-437.741	-512.6655	128	23	18	17490	5	41	26

Interface residues

• A-B: ALA39A, ALA39B, ALA42A, ALA42B, ALA47A, ALA47B, ALA55A, ALA55B, ALA56A, ALA56B, ALA57A, ALA57B, ALA83A, ALA83B, ALA93A, ALA93B, ALA9A, ALA9B, ARG48A, ARG48B, ARG51A, ARG51B, ARG59A, ARG59B, ARG81A, ARG81B, ARG86A, ARG86B, ASN41A, ASN41B, ASP53A, ASP73A, ASP73B, ASP77A, ASP77B, ASP92A, ASP92B, GLU38A, GLU38B, GLU46A, GLU46B, GLU72A, GLU72B, GLU78A, GLU78B, GLU85A, GLU85B, GLY40A, GLY40B, GLY87A, GLY87B, HIS33A, HIS33B, HIS60A, HIS60B, ILE31A, ILE31B, ILE36A, ILE36B, LEU12A, LEU12B, LEU32A, LEU32B, LEU34A, LEU34B, LEU43A, LEU43B, LEU61A, LEU61B, LEU65A, LEU65B, LEU71A, LEU71B, LEU76A, LEU76B, LEU80A, LEU80B, LEU88A, LEU88B, LYS116B, LYS45A, LYS45B, LYS62A, LYS62B, LYS63A, LYS63B, PHE90A, PHE90B, PRO74A, PRO74B, PRO75A, PRO75B, SER58A, SER58B, SER94A, SER94B, THR35A, THR35B, THR89A, THR89B, TRP44A, TRP44B, TRP54A, TRP54B, TYR13A, TYR13B, TYR37A, TYR37B, TYR91A, TYR91B, TYR95A, TYR95B, TYR97A, VAL64A, VAL64B, VAL70A, VAL70B, VAL79A, VAL79B, VAL82A, VAL82B, VAL84A, VAL84B, VAL98A, VAL98B
• A-C: ALA11A, ALA11C, ALA14A, ALA14C, ALA47A, ALA47C, ALA9A, ALA9C, ARG111A, ARG111C, ARG48A, ARG48C, ARG51A, ARG51C, ASP110A, ASP110C, ASP122A, ASP122C, ASP8A, ASP8C, ASP92A, ASP92C, GLN109A, GLN109C, GLU112A, GLU112C, GLU46A, GLU46C, GLY50A, GLY50C, GLY87A, GLY87C, LEU113A, LEU113C, LEU114A, LEU114C, LEU49A, LEU49C, LEU88A, LEU88C, LYS116A, LYS116C, LYS45A, LYS45C, SER10A, SER10C, THR108A, THR108C, THR89A, THR89C, TRP44A, TRP44C, TRP54A, TRP54C, TYR13A, TYR13C, VAL52A, VAL52C
• A-D: ALA83A, ALA83D, ARG111A, ARG111D, ARG48A, ARG48D, ARG86A, ARG86D, GLU112A, GLU112D, GLU85A, GLY87A, GLY87D, LEU88A, LEU88D, LYS116A, LYS116D, THR89A, THR89D, TRP44D, VAL84A, VAL84D
• B-C: ALA83B, ALA83C, ARG111B, ARG111C, ARG48B, ARG48C, ARG86B, ARG86C, GLU112B, GLU112C, GLU85B, GLU85C, GLY87B, GLY87C, LEU88B, LEU88C, LYS116B, LYS116C, THR89B, THR89C, TRP44B, VAL84B, VAL84C
• B-D: ALA11B, ALA11D, ALA14B, ALA14D, ALA42D, ALA47B, ALA47D, ALA9B, ALA9D, ARG111B, ARG111D, ARG48B, ARG48D, ARG51B, ARG51D, ASP110B, ASP110D, ASP122B, ASP122D, ASP8B, ASP8D, ASP92B, ASP92D, GLN109B, GLN109D, GLU112B, GLU112D, GLU46B, GLU46D, GLY50B, GLY50D, GLY87B, GLY87D, LEU113B, LEU113D, LEU114B, LEU114D, LEU49B, LEU49D, LEU88B, LEU88D, LYS116B, LYS116D, LYS45B, LYS45D, SER10B, SER10D, THR108B, THR108D, THR89B, THR89D, TRP44B, TRP44D, TRP54B, TRP54D, TYR13B, TYR13D, VAL52B, VAL52D
• C-D: ALA39C, ALA39D, ALA42C, ALA42D, ALA47C, ALA47D, ALA55C, ALA55D, ALA56C, ALA56D, ALA57C, ALA57D, ALA83C, ALA83D, ALA93C, ALA93D, ALA9C, ALA9D, ARG48C, ARG48D, ARG51C, ARG51D, ARG59C, ARG59D, ARG81C, ARG81D, ARG86D, ASN41C, ASN41D, ASP53C, ASP53D, ASP73C, ASP73D, ASP77C, ASP77D, ASP92C, ASP92D, GLU38C, GLU38D, GLU46C, GLU46D, GLU72C, GLU72D, GLU78C, GLU78D, GLU85C, GLU85D, GLY40C, GLY40D, GLY87C, GLY87D, HIS33C, HIS33D, HIS60C, HIS60D, ILE31C, ILE31D, ILE36C, ILE36D, LEU12C, LEU12D, LEU32C, LEU32D, LEU34C, LEU34D, LEU43C, LEU43D, LEU61C, LEU61D, LEU65C, LEU65D, LEU71C, LEU71D, LEU76C, LEU76D, LEU80C, LEU80D, LEU88C, LEU88D, LYS45C, LYS45D, LYS62C, LYS62D, LYS63C, LYS63D, PHE90C, PHE90D, PRO74C, PRO74D, PRO75C, PRO75D, SER58C, SER58D, SER94C, SER94D, THR35C, THR35D, THR89C, THR89D, TRP44C, TRP44D, TRP54C, TRP54D, TYR13C, TYR13D, TYR37C, TYR37D, TYR91C, TYR91D, TYR95C, TYR95D, VAL64C, VAL64D, VAL70C, VAL70D, VAL79C, VAL79D, VAL82C, VAL82D, VAL84C, VAL84D, VAL98C, VAL98D
• C-L: ALA115C, ALA115L, ALA120C, ALA120L, ALA131C, ALA131L, ALA132C, ALA132L, ALA99C, ARG129C, ARG129L, ARG86C, ASP122L, GLN133C, GLN133L, GLU100C, GLU100L, GLU124L, GLU4C, GLY103C, GLY119C, GLY119L, ILE121C, ILE121L, LEU104C, LEU106C, LEU114L, LEU126L, LEU127L, LEU130C, LEU130L, LYS116C, LYS118C, LYS118L, SER101C, SER102C, THR117C, THR117L, THR125C, THR125L, TYR5C, TYR5L, VAL105C, VAL105L, VAL123L, VAL128C, VAL128L, VAL98C
• D-F: ALA115D, ALA120D, ALA120F, ALA131D, ALA131F, ALA132D, ALA132F, ALA99D, ARG129D, ARG129F, ARG86D, ASP122F, GLN133D, GLN133F, GLU100D, GLU100F, GLU124F, GLU4D, GLY103D, GLY119D, GLY119F, ILE121D, ILE121F, LEU104D, LEU106D, LEU114F, LEU126F, LEU127F, LEU130D, LEU130F, LYS116D, LYS118D, LYS118F, SER101D, SER102D, THR-8F, THR117D, THR117F, THR125D, THR125F, TYR5D, VAL105D, VAL105F, VAL123F, VAL128D, VAL128F, VAL98D
• E-F: ALA39E, ALA39F, ALA42E, ALA42F, ALA47E, ALA47F, ALA55E, ALA55F, ALA56E, ALA56F, ALA57E, ALA57F, ALA83E, ALA83F, ALA93E, ALA93F, ALA9E, ALA9F, ARG48E, ARG48F, ARG51E, ARG51F, ARG59E, ARG59F, ARG81E, ARG81F, ARG86E, ARG86F, ASN41E, ASN41F, ASP53E, ASP53F, ASP73E, ASP73F, ASP77E, ASP77F, ASP92E, ASP92F, GLU38E, GLU38F, GLU46E, GLU46F, GLU72E, GLU72F, GLU78E, GLU78F, GLU85E, GLU85F, GLY40E, GLY40F, GLY87E, GLY87F, HIS33E, HIS33F, HIS60E, HIS60F, ILE31E, ILE31F, ILE36E, ILE36F, LEU12E, LEU12F, LEU32E, LEU32F, LEU34E, LEU34F, LEU43E, LEU43F, LEU61E, LEU61F, LEU65E, LEU65F, LEU71E, LEU71F, LEU76E, LEU76F, LEU80E, LEU80F, LEU88E, LEU88F, LYS116F, LYS45E, LYS45F, LYS62E, LYS62F, LYS63E, LYS63F, PHE90E, PHE90F, PRO74E, PRO74F, PRO75E, PRO75F, SER58E, SER58F, SER94E, SER94F, THR35E, THR35F, THR89E, THR89F, TRP44E, TRP44F, TRP54E, TRP54F, TYR13E, TYR13F, TYR37E, TYR37F, TYR91E, TYR91F, TYR95E, TYR95F, TYR97F, VAL64E, VAL64F, VAL70E, VAL70F, VAL79E, VAL79F, VAL82E, VAL82F, VAL84E, VAL84F, VAL98E, VAL98F
• E-G: ALA11E, ALA11G, ALA14E, ALA14G, ALA47E, ALA47G, ALA9E, ALA9G, ARG111E, ARG111G, ARG48E, ARG48G, ARG51E, ARG51G, ASN41E, ASP110E, ASP110G, ASP122E, ASP122G, ASP8E, ASP8G, ASP92E, ASP92G, GLN109E, GLN109G, GLU112E, GLU112G, GLU46E, GLU46G, GLY50E, GLY50G, GLY87E, GLY87G, LEU113E, LEU113G, LEU114E, LEU114G, LEU49E, LEU49G, LEU88E, LEU88G, LYS116E, LYS116G, LYS45E, LYS45G, SER10E, SER10G, THR108E, THR108G, THR89E, THR89G, TRP44E, TRP44G, TRP54E, TRP54G, TYR13E, TYR13G, VAL52E, VAL52G
• E-H: ALA83E, ALA83H, ARG111E, ARG111H, ARG48E, ARG48H, ARG86E, ARG86H, GLU112E, GLU112H, GLU85E, GLU85H, GLY87E, GLY87H, LEU88E, LEU88H, LYS116E, LYS116H, THR89E, THR89H, VAL84E, VAL84H
• F-G: ALA83F, ALA83G, ARG111F, ARG111G, ARG48F, ARG48G, ARG86F, ARG86G, GLU112F, GLU112G, GLU85G, GLY87F, GLY87G, LEU88F, LEU88G, LYS116F, LYS116G, THR89F, THR89G, TRP44F, TRP44G, VAL84F, VAL84G
• F-H: ALA11F, ALA11H, ALA14F, ALA14H, ALA42H, ALA47F, ALA47H, ALA9F, ALA9H, ARG111F, ARG111H, ARG48F, ARG48H, ARG51F, ARG51H, ASP110F, ASP110H, ASP122F, ASP122H, ASP8F, ASP8H, ASP92F, ASP92H, GLN109F, GLN109H, GLU112F, GLU112H, GLU46F, GLU46H, GLY50F, GLY50H, GLY87F, GLY87H, LEU113F, LEU113H, LEU114F, LEU114H, LEU49F, LEU49H, LEU88F, LEU88H, LYS116F, LYS116H, LYS45F, LYS45H, SER10F, SER10H, THR108F, THR108H, THR89F, THR89H, TRP44F, TRP44H, TRP54F, TRP54H, TYR13F, TYR13H, VAL52F, VAL52H
• G-H: ALA39G, ALA39H, ALA42G, ALA42H, ALA47G, ALA47H, ALA55G, ALA55H, ALA56G, ALA56H, ALA57G, ALA57H, ALA83G, ALA83H, ALA93G, ALA93H, ALA9G, ALA9H, ARG48G, ARG48H, ARG51G, ARG51H, ARG59G, ARG59H, ARG81G, ARG81H, ARG86G, ARG86H, ASN41G, ASN41H, ASP53H, ASP73G, ASP73H, ASP77G, ASP77H, ASP92G, ASP92H, GLU38G, GLU38H, GLU46G, GLU46H, GLU72G, GLU72H, GLU78G, GLU78H, GLU85G, GLU85H, GLY40G, GLY40H, GLY87G, GLY87H, HIS33G, HIS33H, HIS60G, HIS60H, ILE31G, ILE31H, ILE36G, ILE36H, LEU12G, LEU12H, LEU32G, LEU32H, LEU34G, LEU34H, LEU43G, LEU43H, LEU61G, LEU61H, LEU65G, LEU65H, LEU71G, LEU71H, LEU76G, LEU76H, LEU80G, LEU80H, LEU88G, LEU88H, LYS116G, LYS45G, LYS45H, LYS62G, LYS62H, LYS63G, LYS63H, PHE90G, PHE90H, PRO74G, PRO74H, PRO75G, PRO75H, SER58G, SER58H, SER94G, SER94H, THR35G, THR35H, THR89G, THR89H, TRP44G, TRP44H, TRP54G, TRP54H, TYR13G, TYR13H, TYR37G, TYR37H, TYR91G, TYR91H, TYR95G, TYR95H, TYR97G, TYR97H, VAL64G, VAL64H, VAL70G, VAL70H, VAL79G, VAL79H, VAL82G, VAL82H, VAL84G, VAL84H, VAL98G, VAL98H
• I-J: ALA39I, ALA39J, ALA42I, ALA42J, ALA47I, ALA47J, ALA55I, ALA55J, ALA56I, ALA56J, ALA57I, ALA57J, ALA83I, ALA83J, ALA93I, ALA93J, ARG48I, ARG48J, ARG51I, ARG51J, ARG59I, ARG59J, ARG81I, ARG81J, ARG86I, ASN41I, ASN41J, ASP53J, ASP73I, ASP73J, ASP77I, ASP77J, ASP92I, ASP92J, GLU38I, GLU38J, GLU46I, GLU46J, GLU72I, GLU72J, GLU78I, GLU78J, GLU85I, GLU85J, GLY40I, GLY40J, GLY87I, GLY87J, HIS33I, HIS33J, HIS60I, HIS60J, ILE31I, ILE31J, ILE36I, ILE36J, LEU12I, LEU12J, LEU32I, LEU32J, LEU34I, LEU34J, LEU43I, LEU43J, LEU61I, LEU61J, LEU65I, LEU65J, LEU71I, LEU71J, LEU76I, LEU76J, LEU80I, LEU80J, LEU88I, LEU88J, LYS45I, LYS45J, LYS62I, LYS62J, LYS63I, LYS63J, PHE90I, PHE90J, PRO74I, PRO74J, PRO75I, PRO75J, SER58I, SER58J, SER94I, SER94J, THR35I, THR35J, THR89I, THR89J, TRP44I, TRP44J, TRP54I, TRP54J, TYR13I, TYR13J, TYR37I, TYR37J, TYR91I, TYR91J, TYR95I, TYR95J, TYR97I, TYR97J, VAL64I, VAL64J, VAL70I, VAL70J, VAL79I, VAL79J, VAL82I, VAL82J, VAL84I, VAL84J, VAL98I, VAL98J
• I-K: ALA11I, ALA11K, ALA14I, ALA14K, ALA42K, ALA47I, ALA47K, ALA9I, ALA9K, ARG111I, ARG111K, ARG48I, ARG48K, ARG51I, ARG51K, ASP110I, ASP110K, ASP122I, ASP122K, ASP8I, ASP8K, ASP92I, ASP92K, GLN109I, GLN109K, GLU112I, GLU112K, GLU46I, GLU46K, GLY50I, GLY50K, GLY87I, GLY87K, LEU113I, LEU113K, LEU114I, LEU114K, LEU49I, LEU49K, LEU88I, LEU88K, LYS116I, LYS116K, LYS45I, LYS45K, SER10I, SER10K, THR108I, THR108K, THR89I, THR89K, TRP44I, TRP44K, TRP54I, TRP54K, TYR13I, TYR13K, VAL52I, VAL52K
• I-L: ALA83I, ALA83L, ARG111I, ARG111L, ARG48I, ARG48L, ARG86I, ARG86L, GLU112I, GLU112L, GLY87I, GLY87L, LEU88I, LEU88L, LYS116I, LYS116L, THR89I, THR89L, VAL84I, VAL84L
• J-K: ALA83J, ALA83K, ARG111J, ARG111K, ARG48J, ARG48K, ARG86J, ARG86K, GLU112J, GLU112K, GLU85J, GLY87J, GLY87K, LEU88J, LEU88K, LYS116J, LYS116K, THR89J, THR89K, VAL84J, VAL84K
• J-L: ALA11J, ALA11L, ALA14J, ALA14L, ALA47J, ALA47L, ALA9J, ALA9L, ARG111J, ARG111L, ARG48J, ARG48L, ARG51J, ARG51L, ASP110J, ASP110L, ASP122J, ASP122L, ASP8J, ASP8L, ASP92J, ASP92L, GLN109J, GLN109L, GLU112J, GLU112L, GLU46J, GLU46L, GLY50J, GLY50L, GLY87J, GLY87L, LEU113J, LEU113L, LEU114J, LEU114L, LEU49J, LEU49L, LEU88J, LEU88L, LYS116J, LYS116L, LYS45J, LYS45L, SER10J, SER10L, THR108J, THR108L, THR89J, THR89L, TRP44J, TRP44L, TRP54J, TRP54L, TYR13J, TYR13L, VAL52J, VAL52L
• K-L: ALA39K, ALA39L, ALA42K, ALA42L, ALA47K, ALA47L, ALA55K, ALA55L, ALA56K, ALA56L, ALA57K, ALA57L, ALA83K, ALA83L, ALA93K, ALA93L, ALA9K, ALA9L, ARG48K, ARG48L, ARG51L, ARG59K, ARG59L, ARG81K, ARG81L, ARG86K, ARG86L, ASN41K, ASN41L, ASP53K, ASP53L, ASP73K, ASP73L, ASP77K, ASP77L, ASP92K, ASP92L, GLU112L, GLU38K, GLU38L, GLU46K, GLU46L, GLU72K, GLU72L, GLU78K, GLU78L, GLU85K, GLU85L, GLY40K, GLY40L, GLY87K, GLY87L, HIS33K, HIS33L, HIS60K, HIS60L, ILE31K, ILE31L, ILE36K, ILE36L, LEU12K, LEU12L, LEU32K, LEU32L, LEU34K, LEU34L, LEU43K, LEU43L, LEU61K, LEU61L, LEU65K, LEU65L, LEU71K, LEU71L, LEU76K, LEU76L, LEU80K, LEU80L, LEU88K, LEU88L, LYS116L, LYS45K, LYS45L, LYS62K, LYS62L, LYS63K, LYS63L, PHE90K, PHE90L, PRO74K, PRO74L, PRO75K, PRO75L, SER58K, SER58L, SER66K, SER94K, SER94L, THR35K, THR35L, THR89K, THR89L, TRP44K, TRP44L, TRP54K, TRP54L, TYR13K, TYR13L, TYR37K, TYR37L, TYR91K, TYR91L, TYR95K, TYR95L, TYR97K, TYR97L, VAL64K, VAL64L, VAL70K, VAL70L, VAL79K, VAL79L, VAL82K, VAL82L, VAL84K, VAL84L, VAL98K, VAL98L