2PF4

crystal structure of the full-length simian virus 40 small t antigen complexed with the protein phosphatase 2a aalpha subunit

• Total interactions analyzed: 28
• Total true interactions: 23
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 51
  • Norm. En. per Res.: -3.6441
• Hub Node: B(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-C	-4.3946	-0.2226	-130.018	-134.6352	100	11	4	6377	3	42	42
A-E	-27.1386	-24.705	-222.532	-274.3755	84	18	1	8162	7	46	47
A-F	-10.4643	-3.5257	-53.7101	-67.7001	53	7	0	2851	0	21	18
A-G	-14.0196	-4.5994	-64.2628	-82.8818	40	3	4	2398	0	11	16
B-D	-27.1957	8.4711	-283.032	-301.7566	161	21	6	12490	5	67	59
B-E	-4.2456	-12.5771	-32.3483	-49.1711	44	0	0	1924	1	22	17
B-F	-37.9543	-12.6835	-209.42	-260.0578	90	20	1	7946	4	53	46
B-G	0.0	0.0	-0.0006	-0.0006	2	0	0	2	0	0	1
B-H	-7.7031	-5.1228	-45.9878	-58.8137	29	8	3	2092	0	13	13
C-E	0.0	0.0	-95.2309	-95.2309	39	2	5	3353	0	9	8
C-F	0.0	0.0	-0.0587	-0.0587	4	0	0	13	0	0	1
C-G	-29.9439	-44.1209	-209.359	-283.4238	89	20	1	8380	7	51	49
C-H	-8.0001	-20.3586	-29.1119	-57.4705	48	5	0	2170	1	28	26
D-E	0.0	0.0	-0.0017	-0.0017	4	0	0	5	0	0	0
D-F	-21.5621	-15.8049	-46.9792	-84.3462	37	15	3	2453	1	13	14
D-G	0.0	0.0	-0.2387	-0.2387	11	0	0	81	0	4	5
D-H	-50.7152	-25.7441	-218.552	-295.0113	93	22	0	8511	5	51	49
E-F	-14.748	-5.5185	-165.669	-185.9354	62	18	2	6964	2	7	15
E-G	0.0	0.0	-0.4271	-0.4271	9	0	0	90	0	2	2
E-H	0.0	0.0	-52.1217	-52.1217	34	3	1	2160	0	3	2
F-G	0.0	0.0	-26.359	-26.359	18	8	0	916	0	1	0
F-H	0.0	0.0	-0.4813	-0.4813	12	0	0	124	0	6	2
G-H	-40.3226	-13.131	-132.393	-185.8466	51	14	2	5515	3	5	11

Interface residues

• A-C: ALA14C, ALA422A, ALA457A, ALA461A, ALA462A, ARG134C, ARG21A, ARG21C, ARG28C, ARG418A, ARG420A, ARG46C, ASN22C, ASN383A, ASN387A, ASN465C, ASN539A, ASP139A, ASP139C, ASP18C, ASP24C, ASP389A, ASP574A, ASP574C, ASP57A, ASP57C, ASP61C, GLN339A, GLU19C, GLU23A, GLU23C, GLU379A, GLU425A, GLU425C, GLU460A, GLU460C, GLU50C, GLU581A, GLU62C, GLY137A, GLY137C, GLY138A, GLY138C, HIS340A, ILE13C, ILE17C, ILE423A, ILE424A, ILE458A, ILE59C, LEU16C, LEU20C, LEU382A, LEU411A, LEU421A, LEU429A, LEU429C, LEU52C, LEU55C, LYS416A, LYS467A, LYS468A, LYS468C, LYS542A, LYS546A, LYS546C, MET427A, MET427C, PHE503A, PHE538A, PHE54C, PHE578A, PRO378A, PRO428A, PRO428C, PRO53C, SER347A, SER386A, SER464A, SER464C, SER49C, THR463A, THR56C, THR58A, THR58C, TRP140C, TRP417A, TYR169C, TYR426A, TYR426C, TYR456A, TYR577A, TYR577C, TYR60A, TYR60C, VAL15C, VAL419A, VAL455A, VAL573C, VAL65C
• A-E: ALA23E, ARG105A, ARG129E, ARG144A, ARG145E, ARG182A, ARG183A, ARG21E, ARG221A, ARG258A, ARG7E, ASN172A, ASN211A, ASN6E, ASP131E, ASP139A, ASP142E, ASP151E, ASP176A, ASP177A, ASP215A, ASP218A, ASP2E, ASP57A, ASP63A, CYS143E, CYS174A, GLN217A, GLU100A, GLU101A, GLU123E, GLU20E, GLU216A, GLU8E, GLU9E, GLY138A, GLY149E, GLY25E, HIS122E, LEU11E, LEU133E, LEU150E, LEU152E, LEU173A, LEU212A, LEU222A, LEU5E, LYS126E, LYS130E, LYS255A, LYS3E, MET146E, MET14E, MET180A, MET1E, PHE141A, PHE144E, PHE148E, PRO132E, PRO179A, SER10E, SER143A, SER175A, SER214A, SER219A, SER22E, SER95A, THR102A, THR142A, THR145A, THR178A, THR56A, THR98A, TRP135E, TRP140A, TRP147E, TRP24E, TRP257A, TYR60A, VAL134E, VAL181A, VAL220A, VAL4E, VAL99A
• A-F: ALA286A, ALA296A, ALA337A, ALA33F, ARG170F, ARG260A, ARG299A, ARG31F, ASN289A, ASN338A, ASN89F, ASP293A, ASP336A, ASP375A, CYS294A, CYS329A, CYS377A, CYS38F, GLN166F, GLN288A, GLN339A, GLU295A, GLU297A, GLU332A, GLU376A, GLU379A, GLY165F, GLY91F, HIS340A, LEU290A, LEU29F, LEU35F, LEU88F, LYS292A, LYS32F, LYS342A, LYS36F, LYS39F, LYS416A, LYS67F, MET291A, PRO285A, PRO28F, PRO378A, PRO90F, SER343A, SER87F, THR168F, TRP257A, TYR169F, VAL341A, VAL380A, VAL92F
• A-G: ALA457A, ALA534A, ARG125G, ARG129G, ARG418A, ARG420A, ARG459A, ASN535A, ASN539A, ASN6G, ASP131G, ASP453A, ASP572A, ASP574A, GLN571A, GLU460A, GLU9G, HIS454A, ILE458A, LEU127G, LEU421A, LEU496A, LYS126G, LYS130G, LYS3G, LYS416A, LYS542A, LYS61G, MET499A, PHE503A, PHE538A, PHE578A, TRP417A, TYR128G, TYR456A, TYR495A, TYR68G, VAL455A, VAL533A, VAL573A
• B-D: ALA14D, ALA422B, ALA422D, ALA457B, ALA457D, ALA461B, ALA461D, ALA462B, ALA462D, ARG134D, ARG21B, ARG21D, ARG28B, ARG28D, ARG418B, ARG418D, ARG420B, ARG420D, ARG459B, ARG459D, ASN22B, ASN22D, ASN383B, ASN383D, ASN387B, ASN387D, ASN465B, ASN465D, ASN535B, ASP139B, ASP139D, ASP18B, ASP18D, ASP24B, ASP24D, ASP389B, ASP389D, ASP574B, ASP57B, ASP57D, ASP61B, ASP61D, CYS377B, GLN26D, GLN339B, GLN433D, GLN545B, GLU19B, GLU19D, GLU23B, GLU23D, GLU379B, GLU379D, GLU425B, GLU425D, GLU460B, GLU460D, GLU471B, GLU50B, GLU50D, GLU581B, GLU62B, GLU62D, GLY137D, GLY138D, HIS340B, ILE13D, ILE17B, ILE17D, ILE385B, ILE385D, ILE423B, ILE423D, ILE424B, ILE424D, ILE458B, ILE458D, ILE59B, ILE59D, LEU16B, LEU16D, LEU20B, LEU20D, LEU382B, LEU382D, LEU388B, LEU388D, LEU421B, LEU421D, LEU429B, LEU429D, LEU430B, LEU430D, LEU51B, LEU52B, LEU55D, LEU66D, LYS133D, LYS416B, LYS416D, LYS467B, LYS467D, LYS468B, LYS468D, LYS472B, LYS542B, LYS542D, LYS546B, MET427B, MET427D, PHE538B, PHE54B, PHE54D, PHE578B, PHE578D, PRO378B, PRO428B, PRO428D, PRO53B, PRO53D, SER343B, SER386B, SER386D, SER464B, SER464D, SER49B, SER49D, SER95B, SER95D, THR463B, THR463D, THR56B, THR56D, THR58B, THR58D, THR98D, TRP140B, TRP140D, TRP417B, TRP417D, TYR169D, TYR426B, TYR426D, TYR456B, TYR456D, TYR577B, TYR577D, TYR60B, TYR60D, VAL15B, VAL15D, VAL25B, VAL25D, VAL419B, VAL419D, VAL455B, VAL455D, VAL507B, VAL585B, VAL65B, VAL65D
• B-E: ALA286B, ALA296B, ALA337B, ALA33E, ALA415B, ARG260B, ARG299B, ARG31E, ASN289B, ASN338B, ASN89E, ASP293B, ASP336B, CYS294B, CYS377B, CYS38E, GLN166E, GLN288B, GLN339B, GLU253B, GLU295B, GLU297B, GLU332B, GLU376B, GLY91E, HIS340B, HIS42E, LEU290B, LEU35E, LEU88E, LYS292B, LYS32E, LYS36E, LYS37E, LYS39E, LYS416B, MET291B, PRO285B, PRO378B, SER86E, SER87E, THR168E, TRP257B, TYR34E
• B-F: ALA23F, ARG105B, ARG125F, ARG129F, ARG144B, ARG145F, ARG182B, ARG183B, ARG21F, ARG221B, ARG258B, ARG7F, ASN211B, ASN6F, ASP131F, ASP139B, ASP142F, ASP151F, ASP176B, ASP177B, ASP215B, ASP218B, ASP2F, ASP57B, ASP61B, ASP63B, CYS143F, CYS153F, CYS174B, GLN217B, GLU100B, GLU101B, GLU123F, GLU20F, GLU216B, GLU62B, GLU8F, GLU9F, GLY138B, GLY149F, GLY25F, HIS122F, LEU11F, LEU127F, LEU133F, LEU150F, LEU152F, LEU173B, LEU212B, LEU222B, LEU5F, LEU66B, LYS126F, LYS130F, LYS255B, LYS3F, MET107F, MET146F, MET14F, MET180B, MET1F, PHE141B, PHE144F, PHE148F, PRO132F, PRO179B, SER10F, SER143B, SER175B, SER214B, SER219B, SER22F, SER95B, THR102B, THR142B, THR145B, THR178B, THR56B, THR98B, TRP135F, TRP140B, TRP147F, TRP24F, TRP257B, TYR60B, VAL134F, VAL181B, VAL220B, VAL4F, VAL99B
• B-G: GLU23B, VAL92G
• B-H: ALA457B, ARG129H, ARG418B, ARG420B, ARG459B, ASN124H, ASN535B, ASP131H, ASP453B, ASP574B, ASP73H, GLU460B, HIS454B, ILE458B, LEU127H, LEU496B, LYS126H, LYS130H, LYS3H, LYS61H, PHE538B, TRP417B, TYR128H, TYR456B, TYR495B, TYR68H, VAL455B, VAL533B, VAL573B
• C-E: ALA457C, ARG125E, ARG129E, ARG459C, ARG498C, ASN124E, ASN494C, ASN535C, ASP453C, ASP574C, ASP73E, GLU460C, GLY75E, GLY76E, HIS454C, HIS497C, LEU127E, LEU451C, LEU496C, LYS130E, LYS3E, LYS542C, MET499C, PHE503C, PHE538C, PHE74E, PHE77E, PRO72E, THR500C, THR501C, TRP417C, TRP78E, TYR128E, TYR456C, TYR495C, TYR68E, VAL452C, VAL455C, VAL573C
• C-F: ASP93F, GLU23C, SER87F, VAL25C
• C-G: ALA23G, ARG105C, ARG125G, ARG129G, ARG144C, ARG145G, ARG182C, ARG183C, ARG21G, ARG221C, ARG258C, ARG7G, ASN211C, ASN26G, ASN6G, ASP131G, ASP139C, ASP142G, ASP151G, ASP15G, ASP176C, ASP177C, ASP215C, ASP218C, ASP2G, ASP61C, ASP63C, CYS138G, CYS143G, CYS153G, CYS174C, GLN217C, GLU100C, GLU101C, GLU123G, GLU20G, GLU216C, GLU62C, GLU8G, GLU9G, GLY138C, GLY149G, GLY25G, HIS122G, LEU11G, LEU127G, LEU133G, LEU150G, LEU152G, LEU212C, LEU222C, LEU5G, LEU66C, LYS126G, LYS130G, LYS255C, LYS3G, MET146G, MET14G, MET180C, MET1G, PHE141C, PHE144G, PHE148G, PRO132G, PRO179C, SER10G, SER143C, SER175C, SER214C, SER219C, SER22G, THR102C, THR142C, THR145C, THR156G, THR178C, THR98C, TRP135G, TRP140C, TRP147G, TRP24G, TRP257C, TYR60C, VAL134G, VAL181C, VAL220C, VAL4G, VAL99C
• C-H: ALA296C, ALA337C, ALA33H, ALA415C, ARG170H, ARG260C, ARG299C, ARG31H, ASN289C, ASN338C, ASP293C, ASP336C, ASP375C, CYS294C, CYS377C, GLN166H, GLN288C, GLN339C, GLN71H, GLU253C, GLU295C, GLU297C, GLU376C, GLU63H, GLY165H, HIS340C, HIS70H, ILE27H, LEU172H, LEU290C, LEU35H, LYS292C, LYS32H, LYS342C, LYS36H, LYS39H, LYS416C, LYS67H, MET291C, PRO28H, PRO72H, SER335C, THR167H, THR168H, TYR169H, TYR34H, TYR59H, VAL341C
• D-E: GLU23D, SER87E, VAL25D, VAL92E
• D-F: ALA457D, ARG125F, ARG129F, ARG418D, ARG420D, ARG459D, ASN124F, ASN494D, ASN535D, ASP131F, ASP453D, ASP572D, ASP574D, ASP73F, GLU460D, GLY65F, HIS454D, ILE458D, LEU127F, LEU496D, LYS126F, LYS130F, LYS3F, LYS416D, MET499D, PHE538D, PHE578D, PHE74F, PRO72F, TRP417D, TYR128F, TYR456D, TYR495D, TYR68F, VAL455D, VAL533D, VAL573D
• D-G: ALA337D, ASN338D, ASP93G, CYS294D, GLN339D, GLU297D, HIS340D, LYS32G, THR168G, TYR169G, VAL92G
• D-H: ALA23H, ALA97D, ARG105D, ARG129H, ARG144D, ARG145H, ARG182D, ARG183D, ARG21H, ARG221D, ARG258D, ARG7H, ASN172D, ASN211D, ASN6H, ASP131H, ASP139D, ASP142H, ASP151H, ASP176D, ASP177D, ASP215D, ASP218D, ASP2H, ASP57D, ASP61D, ASP63D, CYS138H, CYS143H, CYS174D, GLN217D, GLU100D, GLU101D, GLU123H, GLU20H, GLU216D, GLU62D, GLU8H, GLU94D, GLU9H, GLY138D, GLY149H, GLY25H, HIS122H, ILE59D, LEU11H, LEU127H, LEU133H, LEU150H, LEU173D, LEU212D, LEU222D, LEU5H, LEU66D, LEU96D, LYS126H, LYS130H, LYS255D, LYS3H, MET107H, MET146H, MET14H, MET180D, MET1H, PHE141D, PHE144H, PHE148H, PRO132H, PRO179D, SER10H, SER143D, SER175D, SER214D, SER219D, SER22H, SER95D, THR102D, THR142D, THR145D, THR156H, THR178D, THR98D, TRP135H, TRP140D, TRP147H, TRP24H, TRP257D, TYR60D, VAL134H, VAL181D, VAL220D, VAL4H, VAL99D
• E-F: ALA94E, ALA94F, ASP151E, ASP162E, ASP162F, ASP93E, ASP93F, CYS103E, CYS103F, CYS111E, CYS111F, CYS113E, CYS113F, CYS153E, CYS153F, CYS161E, CYS161F, CYS97E, CYS97F, GLN99E, GLN99F, GLU102E, GLU102F, GLU154E, GLU154F, GLY155E, GLY155F, GLY165E, GLY91F, ILE95E, ILE95F, LEU114E, LEU114F, LEU115E, LEU115F, LEU152E, LEU152F, LEU157E, LEU157F, LEU158E, LEU158F, LEU159E, LEU159F, LYS105E, LYS105F, LYS98E, LYS98F, PHE141E, PRO101E, PRO101F, THR156E, THR156F, TRP100E, TRP100F, TRP160E, TRP160F, TYR96E, TYR96F, VAL104E, VAL104F, VAL92E, VAL92F
• E-G: ASN110E, GLN99E, GLN99G, GLU102E, GLU102G, LYS106G, PRO101G, SER108E, SER108G
• E-H: ALA85E, ALA94E, ALA94H, ASN110E, ASN110H, ASP93E, CYS111E, CYS111H, CYS113E, CYS113H, CYS116E, CYS116H, CYS97E, CYS97H, GLN99E, ILE112E, ILE112H, ILE95E, ILE95H, LEU114E, LEU114H, LEU115H, LEU117E, LEU117H, LYS98E, LYS98H, MET120E, MET120H, SER108E, SER108H, THR109E, THR109H, TYR96E, TYR96H
• F-G: ASN110F, ASN110G, CYS111F, CYS111G, CYS113F, CYS113G, CYS116F, ILE112F, ILE112G, ILE95F, ILE95G, LEU117F, LEU117G, LYS98F, LYS98G, SER108F, THR109F, THR109G
• F-H: ASN110H, CYS111H, GLN99F, GLN99H, GLU102F, GLU102H, LYS106F, LYS106H, LYS98H, SER108F, SER108H, THR109H
• G-H: ALA94G, ALA94H, ASP162G, ASP162H, ASP93G, CYS103G, CYS103H, CYS113G, CYS113H, CYS153G, CYS153H, CYS161G, CYS161H, CYS97G, CYS97H, GLN99G, GLN99H, GLU102G, GLU102H, GLU154G, GLU154H, GLY155G, GLY155H, GLY165H, ILE112G, ILE95G, ILE95H, LEU114G, LEU114H, LEU115H, LEU157G, LEU157H, LEU158G, LEU158H, LEU159G, LEU159H, LYS105G, LYS106G, LYS98G, LYS98H, PRO101G, PRO101H, THR156G, THR156H, TRP100G, TRP100H, TRP160H, TYR96G, TYR96H, VAL104G, VAL104H