3HGK

crystal structure of effect protein avrptob complexed with kinase pto

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 86
  • Norm. En. per Res.: -2.5363
• 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-C	-15.3814	0.0	-202.741	-218.1224	86	27	4	8925	0	12	20
A-F	-31.2794	-12.5943	-179.627	-223.5006	89	10	6	8161	1	18	12
A-G	0.0	-9.5064	-11.6846	-21.191	35	0	1	1106	0	18	8
A-H	-3.5467	-2.0791	-26.2924	-31.9182	18	1	0	1023	0	5	4
B-D	-21.2748	-5.2979	-166.524	-193.0967	79	34	5	8238	0	12	19
B-E	-20.7039	-7.9655	-190.254	-218.9234	93	12	7	8495	0	18	13
B-H	0.0	-12.3905	-13.9201	-26.3106	39	0	4	1362	0	17	10
C-F	0.0	-14.4893	-21.2027	-35.6919	44	0	4	1675	0	20	12
C-G	-24.9106	-16.0605	-193.805	-234.7761	95	17	5	8694	0	18	14
D-E	0.0	-10.0166	-16.6888	-26.7054	39	0	2	1333	0	17	9
D-F	-4.7872	-1.9682	-28.5596	-35.315	18	1	0	1061	0	5	4
D-H	-33.449	-13.152	-175.283	-221.884	90	8	6	7977	1	19	13
E-H	-5.9094	-4.5729	-15.5144	-25.9967	24	11	0	1196	0	6	10
F-G	-7.1479	-3.1629	-25.4125	-35.7232	23	9	0	1103	0	6	9
F-H	0.0	20.1928	-24.9515	-4.7587	21	3	0	1271	2	6	6

Interface residues

• A-C: ALA237A, ALA237C, ALA240A, ALA240C, ARG124C, ARG141A, ARG141C, ARG238A, ARG238C, ARG247A, ARG247C, ASN251A, ASN272A, ASN272C, ASP130A, ASP130C, ASP270A, ASP270C, CYS236A, CYS236C, GLN243A, GLN243C, GLN264A, GLN264C, GLN267A, GLU233A, GLU233C, GLU248A, GLU248C, GLU258C, GLU266A, GLU266C, GLY128A, GLY128C, HIS125A, HIS125C, ILE168A, ILE241A, ILE241C, ILE268A, ILE268C, LEU126A, LEU126C, LEU131A, LEU131C, LEU235A, LEU245A, LEU245C, LEU252A, LEU252C, LEU273A, LEU273C, LYS123A, LYS123C, MET134A, MET134C, MET136A, MET136C, MET249A, MET249C, PRO132C, PRO246A, PRO246C, PRO271A, PRO271C, SER129A, SER129C, SER135A, SER135C, SER137A, SER239A, SER239C, SER244A, SER244C, THR133C, TRP255A, TRP255C, TYR127A, TYR127C, VAL234A, VAL242A, VAL242C, VAL250A, VAL250C, VAL269A, VAL269C
• A-F: ALA153F, ALA158F, ALA160F, ALA253A, ARG151F, ARG163A, ARG163F, ARG170F, ARG183F, ARG238A, ARG247A, ASN148F, ASN152F, ASN155F, ASN167F, ASN169A, ASN175F, ASN251A, ASP157F, ASP164A, ASP182A, ASP184F, ASP209A, GLN166F, GLN243A, GLN77A, GLU211A, GLU248A, GLU254A, GLU74A, GLU81A, GLY156F, GLY180F, GLY203A, GLY206A, GLY216A, GLY50A, HIS145F, HIS179F, HIS49A, ILE168A, ILE181F, ILE185A, ILE208A, ILE214A, ILE241A, LEU150F, LEU205A, LEU245A, LEU252A, LEU293A, LEU295A, LYS123A, LYS166A, LYS202A, LYS215A, MET149F, MET154F, MET176F, MET178F, MET249A, PHE161F, PHE169F, PHE173F, PHE213A, PHE52A, PRO174F, PRO177F, PRO210A, SER144F, SER162F, SER182F, SER185F, SER244A, SER76A, THR204A, TRP255A, TYR207A, TYR212A, TYR225A, VAL159F, VAL164F, VAL200A, VAL201A, VAL229A, VAL242A, VAL250A, VAL257A, VAL51A
• A-G: ALA125G, ALA127G, ARG124A, ARG183G, ARG197G, ASN130G, ASN175G, ASP130A, ASP184G, GLN243A, GLU186G, GLU190G, GLY124G, GLY128A, GLY48A, HIS172G, HIS179G, HIS49A, ILE189G, ILE47A, LEU187G, LEU46A, LYS123A, LYS44A, PHE173G, PHE45A, PRO174G, SER129A, SER182G, SER185G, SER244A, TYR116A, TYR127A, TYR56A, VAL126G
• A-H: ALA141H, ARG217A, GLN134H, GLN135H, GLU139H, GLU211A, GLY140H, GLY216A, ILE168H, ILE214A, LEU136H, LEU295A, LYS215A, PHE213A, PRO210A, SER138H, VAL137H, VAL164H
• B-D: ALA237B, ALA237D, ALA240B, ALA240D, ALA274D, ARG124B, ARG141B, ARG141D, ARG238B, ARG238D, ARG247B, ARG247D, ASN251D, ASN272B, ASN272D, ASP130B, ASP270B, ASP270D, CYS236B, CYS236D, GLN243B, GLN243D, GLN264B, GLN264D, GLN267D, GLU233B, GLU233D, GLU248B, GLU248D, GLU258B, GLU266B, GLU266D, GLY128B, GLY128D, HIS125B, ILE241B, ILE241D, ILE268B, ILE268D, LEU126B, LEU126D, LEU131B, LEU235B, LEU245B, LEU245D, LEU252B, LEU252D, LEU273B, LEU273D, LYS123B, LYS123D, MET134B, MET134D, MET136B, MET249B, MET249D, PRO246B, PRO246D, PRO271B, PRO271D, SER129B, SER129D, SER135B, SER135D, SER239B, SER239D, SER244B, SER244D, TRP255B, TRP255D, TYR127B, TYR127D, VAL234B, VAL242B, VAL242D, VAL250B, VAL250D, VAL269B, VAL269D
• B-E: ALA153E, ALA158E, ALA160E, ALA253B, ARG151E, ARG163B, ARG163E, ARG170E, ARG183E, ARG238B, ARG247B, ASN148E, ASN152E, ASN155E, ASN167E, ASN169B, ASN175E, ASN251B, ASP157E, ASP164B, ASP182B, ASP184E, ASP209B, GLN166E, GLN243B, GLN77B, GLU165E, GLU211B, GLU248B, GLU254B, GLU74B, GLU81B, GLY156E, GLY180E, GLY203B, GLY206B, GLY216B, GLY50B, HIS145E, HIS162B, HIS179E, HIS49B, ILE168B, ILE181E, ILE185B, ILE208B, ILE214B, ILE241B, LEU150E, LEU205B, LEU245B, LEU252B, LEU293B, LEU295B, LYS123B, LYS166B, LYS202B, LYS215B, MET149E, MET154E, MET176E, MET178E, MET249B, PHE161E, PHE169E, PHE173E, PHE213B, PHE52B, PRO174E, PRO177E, PRO210B, SER144E, SER162E, SER182E, SER185E, SER244B, SER75B, SER76B, THR204B, TRP255B, TYR207B, TYR212B, TYR225B, VAL159E, VAL164E, VAL165B, VAL200B, VAL201B, VAL229B, VAL242B, VAL250B, VAL257B, VAL51B
• B-H: ALA125H, ALA127H, ARG124B, ARG183H, ARG197H, ASN121B, ASN130H, ASN175H, ASP130B, ASP184H, GLN243B, GLU186H, GLU190H, GLY124H, GLY128B, GLY48B, HIS128H, HIS172H, HIS179H, HIS49B, ILE189H, ILE47B, LEU187H, LEU245B, LEU46B, LYS123B, LYS44B, LYS54B, PHE173H, PHE45B, PRO174H, SER129B, SER182H, SER185H, SER244B, TYR127B, TYR56B, VAL126H, VAL242B
• C-F: ALA125F, ALA127F, ALA188F, ALA240C, ARG124C, ARG183F, ARG197F, ASN121C, ASN130F, ASN175F, ASP130C, ASP184F, GLN243C, GLU186F, GLU190F, GLY124F, GLY128C, GLY48C, HIS128F, HIS172F, HIS179F, HIS49C, ILE189F, ILE47C, LEU187F, LEU245C, LEU46C, LYS123C, LYS44C, LYS54C, LYS57C, PHE173F, PHE45C, PRO174F, SER129C, SER182F, SER185F, SER244C, TYR116C, TYR127C, TYR56C, VAL126F, VAL242C, VAL55C
• C-G: ALA153G, ALA158G, ALA160G, ALA253C, ARG147G, ARG151G, ARG163C, ARG163G, ARG170G, ARG183G, ARG217C, ARG238C, ARG247C, ASN148G, ASN152G, ASN155G, ASN167G, ASN169C, ASN175G, ASN251C, ASP157G, ASP164C, ASP182C, ASP184G, ASP209C, GLN166G, GLN243C, GLN77C, GLU165G, GLU211C, GLU248C, GLU254C, GLU74C, GLU80C, GLU81C, GLY156G, GLY180G, GLY203C, GLY206C, GLY216C, GLY50C, HIS145G, HIS162C, HIS179G, HIS49C, ILE168C, ILE181G, ILE185C, ILE208C, ILE214C, ILE241C, LEU150G, LEU205C, LEU245C, LEU252C, LEU293C, LEU295C, LYS123C, LYS166C, LYS202C, LYS215C, MET149G, MET154G, MET176G, MET178G, MET249C, PHE161G, PHE169G, PHE173G, PHE213C, PHE52C, PRO174G, PRO177G, PRO210C, SER144G, SER162G, SER182G, SER185G, SER244C, SER75C, SER76C, THR204C, TRP255C, TYR207C, TYR212C, TYR225C, VAL159G, VAL164G, VAL200C, VAL201C, VAL229C, VAL242C, VAL250C, VAL257C, VAL51C
• D-E: ALA125E, ALA127E, ARG124D, ARG183E, ARG197E, ASN130E, ASN175E, ASP130D, ASP184E, GLN243D, GLU186E, GLU190E, GLY124E, GLY128D, GLY48D, HIS128E, HIS172E, HIS179E, HIS49D, ILE189E, ILE47D, LEU187E, LEU245D, LEU46D, LYS123D, LYS44D, LYS54D, PHE173E, PHE45D, PRO174E, SER129D, SER182E, SER185E, SER244D, TYR116D, TYR127D, TYR56D, VAL126E, VAL242D
• D-F: ALA141F, ARG217D, GLN134F, GLN135F, GLU139F, GLU211D, GLY140F, GLY216D, ILE168F, ILE214D, LEU136F, LEU295D, LYS215D, PHE213D, PRO210D, SER138F, VAL137F, VAL164F
• D-H: ALA153H, ALA158H, ALA160H, ALA253D, ARG151H, ARG163D, ARG163H, ARG170H, ARG183H, ARG238D, ARG247D, ASN148H, ASN152H, ASN155H, ASN167H, ASN169D, ASN175H, ASN251D, ASP157H, ASP164D, ASP182D, ASP184H, ASP209D, GLN166H, GLN243D, GLN77D, GLU211D, GLU248D, GLU254D, GLU74D, GLU81D, GLY156H, GLY180H, GLY203D, GLY206D, GLY216D, GLY50D, HIS145H, HIS162D, HIS179H, HIS49D, ILE168D, ILE181H, ILE185D, ILE208D, ILE214D, ILE241D, LEU150H, LEU205D, LEU245D, LEU252D, LEU293D, LEU295D, LYS123D, LYS166D, LYS202D, LYS215D, MET149H, MET154H, MET176H, MET178H, MET249D, PHE161H, PHE169H, PHE173H, PHE213D, PHE52D, PRO174H, PRO177H, PRO210D, SER144H, SER162H, SER182H, SER185H, SER244D, SER76D, THR204D, TRP255D, TYR207D, TYR212D, TYR225D, VAL159H, VAL164H, VAL200D, VAL201D, VAL229D, VAL242D, VAL250D, VAL257D, VAL51D
• E-H: ALA153E, ALA153H, ARG151E, ARG151H, ARG183E, ARG183H, ARG192E, ARG192H, ASN155E, ASN155H, ASP184E, ASP184H, GLY156E, GLY156H, ILE181E, ILE181H, ILE189E, ILE189H, MET154E, MET154H, SER182E, SER182H, SER185E, SER185H
• F-G: ALA153F, ALA153G, ARG151F, ARG151G, ARG183F, ARG183G, ARG192F, ARG192G, ASN155F, ASN155G, ASP184F, ASP184G, GLY156F, GLY156G, ILE181F, ILE181G, ILE189F, ILE189G, MET154F, MET154G, SER182F, SER182G, SER185G
• F-H: ARG163F, ARG163H, ARG170F, ARG170H, ASN167F, ASN167H, GLN135F, GLN135H, GLN166F, GLN166H, GLN171F, GLN171H, GLU139F, GLU139H, GLU165H, ILE168F, ILE168H, SER138F, SER138H, VAL164F, VAL164H