1TUE

the x-ray structure of the papillomavirus helicase in complex with its molecular matchmaker e2

• Total interactions analyzed: 66
• Total true interactions: 16
• Strongest Interaction:
  • Chains: L-M
  • Int. Res.: 12
  • Norm. En. per Res.: -5.3595
• 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	-34.1863	-166.1231	-209.594	-409.9034	102	6	4	8871	10	33	23
A-D	0.0	1.4981	-38.9297	-37.4316	37	4	0	2028	0	6	6
A-E	0.0	0.0	-1.281	-1.281	12	0	0	192	0	0	1
A-G	0.0	0.0	-10.196	-10.196	18	0	1	492	0	3	1
A-H	-10.5297	35.7276	-232.444	-207.2461	129	1	5	9894	4	26	24
B-E	-2.9933	-15.9024	-44.7767	-63.6724	30	1	0	1850	0	18	14
B-G	-9.8777	3.9041	-47.4767	-53.4504	35	3	0	2228	0	13	11
D-E	-36.314	-157.3059	-194.274	-387.8939	93	7	4	8413	12	30	22
F-G	-36.073	-182.6694	-229.292	-448.0344	108	6	4	9414	9	34	29
G-H	-16.8468	0.0	-73.704	-90.5508	48	5	0	3345	0	5	7
G-J	-17.5281	-9.3777	-78.5485	-105.4543	41	2	0	3127	0	13	11
H-J	-32.0661	-167.4568	-220.263	-419.786	106	5	4	9082	10	33	23
K-L	-35.3977	-177.472	-221.09	-433.9597	109	10	4	9356	11	31	27
L-M	-11.1699	-42.8348	-10.3088	-64.3135	12	0	0	321	4	1	1
L-Q	0.0	-6.8086	-34.9339	-41.7425	30	0	0	1696	0	13	11
M-Q	-40.7632	-176.5787	-212.238	-429.5799	103	10	4	8856	11	31	23

Interface residues

• A-B: ALA14B, ALA466A, ALA598A, ALA65B, ARG447A, ARG454A, ARG589A, ARG622A, ARG626A, ASN107B, ASN131B, ASN25B, ASN44B, ASN550A, ASN597A, ASN59B, ASN604A, ASN606A, ASP100B, ASP130B, ASP17B, ASP21B, ASP26B, ASP445A, ASP548A, ASP602A, CYS102B, CYS132B, GLN16B, GLN451A, GLN456A, GLN457A, GLN61B, GLN99B, GLU103B, GLU104B, GLU24B, GLU43B, GLU459A, GLY465A, GLY605A, HIS22B, HIS60B, ILE19B, ILE20B, ILE40B, ILE449A, ILE458A, ILE461A, ILE68B, LEU105B, LEU12B, LEU15B, LEU39B, LEU453A, LEU464A, LEU58B, LEU98B, LYS18B, LYS28B, LYS468A, LYS476A, LYS477A, LYS603A, LYS72B, MET133B, PHE452A, PHE460A, PHE463A, PHE47B, PHE593A, PHE601A, PHE619A, PRO448A, PRO475A, PRO596A, PRO600A, PRO64B, SER13B, SER27B, SER588A, SER625A, SER69B, THR101B, THR134B, THR462A, THR57B, THR591A, THR623A, THR97B, TRP37B, TRP446A, TYR183B, TYR23B, TYR36B, TYR455A, TYR585A, TYR609A, VAL450A, VAL608A, VAL62B, VAL63B
• A-D: ALA486D, ALA598D, ARG434A, ARG582D, ASN428A, ASN487D, ASN574D, ASN581D, ASN597D, ASP441A, ASP580D, CYS437A, GLN431A, GLU442A, GLU594D, GLU621A, GLY443A, GLY484D, HIS576D, ILE440A, ILE575D, LEU629A, LYS439A, LYS579D, LYS617A, PHE435A, PRO485D, PRO596D, SER427A, SER430A, SER438A, THR488D, THR532D, THR533D, TRP432A, TRP583D, TRP624A
• A-E: ALA65E, ARG447A, ARG51E, ARG622A, ARG626A, ASN67E, ASP445A, GLN56E, GLY54E, PRO64E, TYR66E, VAL63E
• A-G: ALA147G, ALA486A, ALA598A, ASN487A, ASN597A, ASP146G, GLU167G, GLY168G, GLY489A, LYS166G, PHE599A, PHE601A, PRO485A, PRO596A, THR145G, THR488A, TYR169G, TYR455A
• A-H: ALA486A, ALA486H, ALA504A, ALA504H, ARG436A, ARG436H, ASN487A, ASN487H, ASN510A, ASN510H, ASN604A, ASN604H, ASN606A, ASN606H, ASN612A, ASN612H, ASN615A, ASN615H, ASP522A, ASP522H, ASP529A, ASP529H, ASP530A, ASP530H, ASP555A, ASP613A, ASP613H, GLN502A, GLN502H, GLU518A, GLU518H, GLU610A, GLU610H, GLY489A, GLY489H, GLY494A, GLY494H, GLY503A, GLY503H, GLY605A, GLY605H, HIS499A, HIS499H, HIS514A, HIS514H, ILE440A, ILE440H, ILE498A, ILE498H, ILE506A, ILE506H, ILE554A, ILE554H, ILE562A, ILE611A, ILE611H, LEU517A, LEU517H, LEU520A, LEU520H, LEU528A, LEU528H, LYS439A, LYS439H, LYS490A, LYS490H, LYS614A, LYS614H, MET495A, MET495H, MET527A, MET527H, PHE493A, PHE493H, PHE497H, PHE500A, PHE500H, PHE508A, PHE508H, PHE515A, PHE515H, PHE599A, PHE599H, PHE601A, PHE601H, PRO519A, PRO519H, PRO600A, PRO600H, PRO607A, PRO607H, SER425A, SER491A, SER491H, SER496A, SER496H, SER507A, SER507H, SER511A, SER511H, SER513A, SER513H, THR488A, THR488H, THR512A, THR512H, THR521A, THR521H, THR523A, THR523H, THR532A, THR532H, THR534A, THR572A, THR572H, TRP432A, TRP432H, TRP516A, TRP516H, TRP616A, TYR492A, TYR492H, TYR609A, TYR609H, VAL505A, VAL505H, VAL509A, VAL509H, VAL608A
• B-E: ALA65E, ARG51E, ASN25B, ASN67E, ASP17B, ASP21B, ASP26B, ASP29B, ASP31B, GLN33B, GLN35B, GLN56E, GLU24B, GLU52E, GLY54E, HIS22B, HIS53E, ILE30B, ILE68E, LYS18B, LYS28B, LYS70E, PHE48E, PRO64E, SER27B, SER32B, SER71E, THR97B, TRP96B, TYR66E
• B-G: ALA49B, ALA50B, ARG160G, ARG51B, ASN170G, ASN185G, GLN2B, GLN56B, GLN61B, GLU175G, GLU181G, GLU52B, GLU6B, GLY187G, GLY54B, HIS0B, HIS159G, HIS53B, ILE55B, LEU8B, LYS177G, LYS5B, MET1B, PHE172G, PRO4B, SER178G, THR171G, THR3B, THR57B, TRP189G, TYR163G, TYR169G, TYR66B, VAL62B, VAL63B
• D-E: ALA14E, ALA466D, ALA598D, ALA65E, ARG447D, ARG454D, ARG589D, ARG622D, ARG626D, ASN25E, ASN44E, ASN597D, ASN59E, ASN606D, ASP100E, ASP130E, ASP17E, ASP21E, ASP26E, ASP445D, ASP602D, CYS102E, CYS132E, GLN16E, GLN451D, GLN456D, GLN457D, GLN61E, GLN99E, GLU103E, GLU104E, GLU24E, GLU43E, GLU459D, GLY465D, HIS22E, HIS60E, ILE19E, ILE20E, ILE40E, ILE449D, ILE458D, ILE461D, ILE68E, LEU105E, LEU12E, LEU15E, LEU39E, LEU453D, LEU464D, LEU58E, LEU98E, LYS18E, LYS28E, LYS468D, LYS476D, LYS477D, LYS603D, LYS72E, MET133E, PHE452D, PHE460D, PHE463D, PHE47E, PHE593D, PHE599D, PHE601D, PRO448D, PRO596D, PRO600D, PRO64E, SER13E, SER27E, SER588D, SER625D, SER69E, THR101E, THR134E, THR462D, THR57E, THR591D, THR623D, THR97E, TRP37E, TRP446D, TYR23E, TYR36E, TYR455D, TYR609D, VAL450D, VAL608D, VAL62E, VAL63E
• F-G: ALA466F, ALA598F, ALA65G, ARG447F, ARG454F, ARG544F, ARG589F, ARG622F, ARG626F, ASN107G, ASN131G, ASN25G, ASN44G, ASN550F, ASN597F, ASN59G, ASN604F, ASN606F, ASP100G, ASP130G, ASP17G, ASP21G, ASP26G, ASP445F, ASP548F, ASP602F, CYS102G, CYS132G, GLN122G, GLN16G, GLN451F, GLN456F, GLN457F, GLN61G, GLN99G, GLU103G, GLU104G, GLU24G, GLU43G, GLU459F, GLY465F, GLY605F, HIS22G, HIS60G, ILE19G, ILE20G, ILE40G, ILE449F, ILE458F, ILE461F, ILE68G, LEU105G, LEU12G, LEU15G, LEU39G, LEU453F, LEU464F, LEU58G, LEU627F, LEU98G, LYS129G, LYS18G, LYS28G, LYS468F, LYS476F, LYS477F, LYS603F, LYS72G, LYS75G, MET133G, PHE125G, PHE452F, PHE460F, PHE463F, PHE47G, PHE593F, PHE601F, PHE619F, PRO448F, PRO475F, PRO596F, PRO600F, PRO64G, SER13G, SER27G, SER588F, SER625F, SER69G, THR101G, THR120G, THR134G, THR462F, THR57G, THR591F, THR623F, THR97G, TRP37G, TRP446F, TYR183G, TYR23G, TYR36G, TYR455F, TYR585F, TYR609F, VAL450F, VAL608F, VAL62G, VAL63G
• G-H: ALA147G, ALA578H, ALA82G, ALA87G, ARG41G, ARG544H, ARG582H, ASN510H, ASN581H, ASP146G, ASP540H, ASP580H, CYS535H, GLN38G, GLN80G, GLN84G, GLN88G, GLU167G, GLY148G, GLY85G, HIS576H, HIS74G, ILE34G, ILE575H, ILE77G, LEU83G, LEU86G, LYS166G, LYS579H, MET144G, MET81G, PHE508H, PRO584H, SER89G, THR145G, THR149G, THR532H, THR533H, THR534H, THR537H, THR541H, TRP150G, TRP536H, TRP583H, TYR538H, TYR542H, TYR585H, VAL509H
• G-J: ALA45G, ALA49G, ALA50G, ARG11G, ARG41G, ASN128J, ASN131J, ASN185J, ASN44G, ASP126J, ASP130J, CYS180J, GLU10G, GLU181J, GLU43G, GLU52G, GLU6G, GLY127J, GLY184J, GLY187J, HIS53G, ILE46G, ILE55G, LEU12G, LEU15G, LEU58G, LEU8G, LYS129J, LYS177J, LYS182J, LYS5G, PHE125J, PHE47G, PHE48G, PRO4G, SER9G, THR186J, THR188J, THR7G, TRP42G, TYR183J
• H-J: ALA14J, ALA466H, ALA598H, ALA65J, ARG447H, ARG454H, ARG544H, ARG589H, ARG622H, ARG626H, ASN25J, ASN44J, ASN550H, ASN597H, ASN59J, ASN604H, ASN606H, ASP100J, ASP130J, ASP17J, ASP21J, ASP26J, ASP445H, ASP602H, ASP628H, CYS102J, CYS132J, GLN122J, GLN16J, GLN451H, GLN456H, GLN457H, GLN61J, GLN99J, GLU103J, GLU104J, GLU24J, GLU43J, GLU459H, GLY465H, GLY605H, HIS22J, HIS60J, ILE19J, ILE20J, ILE40J, ILE449H, ILE458H, ILE461H, ILE68J, LEU105J, LEU12J, LEU15J, LEU39J, LEU453H, LEU464H, LEU58J, LEU627H, LEU98J, LYS129J, LYS18J, LYS28J, LYS468H, LYS476H, LYS477H, LYS5J, LYS603H, LYS72J, MET133J, PHE452H, PHE460H, PHE463H, PHE47J, PHE593H, PHE601H, PHE619H, PRO448H, PRO475H, PRO584H, PRO596H, PRO600H, PRO64J, SER13J, SER27J, SER588H, SER625H, SER69J, THR101J, THR134J, THR462H, THR57J, THR591H, THR623H, THR97J, TRP37J, TRP446H, TYR183J, TYR23J, TYR36J, TYR455H, TYR585H, TYR609H, VAL450H, VAL608H, VAL62J, VAL63J
• K-L: ALA14L, ALA466K, ALA598K, ALA65L, ARG447K, ARG454K, ARG544K, ARG589K, ARG622K, ARG626K, ASN107L, ASN131L, ASN25L, ASN44L, ASN545K, ASN550K, ASN597K, ASN59L, ASN604K, ASN606K, ASP100L, ASP130L, ASP17L, ASP21L, ASP26L, ASP445K, ASP548K, ASP602K, ASP628K, CYS102L, CYS132L, GLN16L, GLN33L, GLN451K, GLN456K, GLN457K, GLN61L, GLN99L, GLU103L, GLU104L, GLU24L, GLU43L, GLU459K, GLY465K, GLY605K, HIS22L, HIS60L, ILE19L, ILE20L, ILE40L, ILE449K, ILE458K, ILE461K, ILE68L, LEU105L, LEU12L, LEU15L, LEU39L, LEU453K, LEU464K, LEU58L, LEU627K, LEU98L, LYS129L, LYS18L, LYS28L, LYS468K, LYS476K, LYS477K, LYS603K, LYS72L, MET133L, PHE125L, PHE452K, PHE460K, PHE463K, PHE47L, PHE593K, PHE601K, PRO448K, PRO475K, PRO596K, PRO600K, PRO64L, SER13L, SER27L, SER588K, SER625K, SER69L, THR101L, THR134L, THR462K, THR57L, THR591K, THR623K, THR97L, TRP37L, TRP446K, TYR135L, TYR183L, TYR23L, TYR36L, TYR455K, TYR609K, VAL123L, VAL450K, VAL608K, VAL62L, VAL63L
• L-M: ALA147L, ARG544M, ASP146L, ASP540M, GLY148L, PRO584M, THR145L, THR512M, THR541M, TYR169L, TYR542M, TYR585M
• L-Q: ALA45L, ALA73L, ARG41L, ASN128Q, ASN131Q, ASN185Q, ASP126Q, ASP130Q, GLN38L, GLN80L, GLN84L, GLU190Q, GLU78L, GLY127Q, GLY184Q, GLY187Q, HIS112L, HIS192Q, HIS74L, ILE77L, LYS129Q, LYS70L, MET144L, MET81L, PHE125Q, THR186Q, THR188Q, TRP189Q, TRP42L, VAL197Q
• M-Q: ALA14Q, ALA466M, ALA598M, ALA65Q, ARG447M, ARG454M, ARG589M, ARG622M, ARG626M, ASN107Q, ASN131Q, ASN25Q, ASN44Q, ASN550M, ASN597M, ASN59Q, ASN604M, ASN606M, ASP100Q, ASP130Q, ASP17Q, ASP21Q, ASP26Q, ASP445M, ASP602M, ASP628M, CYS102Q, CYS132Q, GLN16Q, GLN33Q, GLN451M, GLN456M, GLN457M, GLN61Q, GLN99Q, GLU103Q, GLU104Q, GLU24Q, GLU43Q, GLU459M, GLY465M, HIS22Q, HIS60Q, ILE19Q, ILE20Q, ILE40Q, ILE449M, ILE458M, ILE461M, ILE68Q, LEU105Q, LEU12Q, LEU15Q, LEU39Q, LEU453M, LEU464M, LEU58Q, LEU627M, LEU98Q, LYS129Q, LYS18Q, LYS28Q, LYS468M, LYS476M, LYS477M, LYS603M, LYS72Q, MET133Q, PHE452M, PHE460M, PHE463M, PHE47Q, PHE593M, PHE601M, PHE619M, PRO448M, PRO596M, PRO600M, PRO64Q, SER13Q, SER27Q, SER588M, SER625M, SER69Q, THR101Q, THR134Q, THR462M, THR57Q, THR591M, THR623M, THR97Q, TRP37Q, TRP446M, TYR183Q, TYR23Q, TYR36Q, TYR455M, TYR585M, TYR609M, VAL450M, VAL608M, VAL62Q, VAL63Q