3TL8

the avrptob-bak1 complex reveals two structurally similar kinaseinteracting domains in a single type iii effector

• Total interactions analyzed: 28
• Total true interactions: 8
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 82
  • Norm. En. per Res.: -3.8793
• Hub Node: A(2)

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	-69.1428	14.7861	-309.198	-363.5547	120	36	8	14382	2	30	31
A-D	-33.2835	-36.6005	-198.072	-267.9561	81	4	3	6882	3	49	67
B-H	-38.4127	-64.6278	-90.1966	-193.237	66	7	0	4354	5	20	18
D-F	-55.5829	-16.2852	-313.71	-385.5781	117	30	8	14612	2	29	33
D-K	-35.8711	-46.2362	-105.479	-187.5864	71	5	0	5036	3	23	18
G-H	-42.7285	-77.085	-198.288	-318.1015	82	9	3	6831	6	54	65
G-K	-53.9195	22.4778	-303.545	-334.9867	123	31	9	14888	2	32	28
H-L	-41.9166	1.4742	-220.857	-261.2995	113	34	7	13140	0	33	30

Interface residues

• A-B: ALA272B, ALA273B, ALA347B, ALA420A, ALA438A, ALA451A, ALA460A, ALA491A, ALA495A, ALA498A, ARG268B, ARG271B, ARG275B, ARG277B, ARG297A, ARG300B, ARG305B, ARG310B, ARG323A, ARG350B, ARG359A, ARG415A, ARG453A, ARG490A, ARG496A, ASN276B, ASN279B, ASN343B, ASN345B, ASN349B, ASN421A, ASN499A, ASP270B, ASP331B, ASP416A, ASP434A, ASP493A, ASP500A, ASP501A, ASP502A, ASP507A, GLN309B, GLN325A, GLN330A, GLN332A, GLN338B, GLU304B, GLU328A, GLU334A, GLU334B, GLU336A, GLU462A, GLY278B, GLY298A, GLY299A, GLY326A, GLY327A, GLY333B, GLY353B, GLY436A, GLY454A, GLY457A, GLY467A, HIS306B, HIS339B, HIS458A, ILE267B, ILE330B, ILE456A, ILE459A, LEU303B, LEU311B, LEU329A, LEU332B, LEU336B, LEU341B, LEU342B, LEU344B, LEU348B, LEU437A, LEU440A, LEU464A, LEU494A, LEU497A, LEU505A, LEU506A, LYS418A, LYS439A, LYS468A, MET274B, MET308B, MET337A, MET340A, MET354A, MET504A, PHE300A, PHE331A, PHE435A, PHE476A, PHE492A, PRO312B, PRO461A, SER335B, SER465A, SER548A, THR301B, THR333A, THR455A, THR466A, TRP508A, TYR463A, VAL269B, VAL307B, VAL335A, VAL337B, VAL346B, VAL448A, VAL452A, VAL480A, VAL503A
• A-D: ALA341A, ALA341D, ALA402A, ALA402D, ARG344A, ARG344D, ARG348A, ARG348D, ARG392A, ARG399A, ARG399D, ARG561A, ARG561D, ASN345A, ASN345D, ASP406A, ASP406D, ASP409A, ASP409D, ASP425D, ASP566A, ASP566D, CYS408A, CYS408D, GLN273A, GLU427D, GLU429A, GLU429D, GLU558D, GLU564A, GLU564D, GLY396A, GLY396D, GLY400A, GLY400D, GLY565A, GLY565D, GLY567A, HIS343A, HIS343D, HIS405A, HIS405D, HIS407A, HIS407D, ILE338A, ILE338D, ILE412A, ILE412D, LEU274D, LEU346A, LEU346D, LEU395D, LEU563A, LEU563D, LYS411A, LYS411D, LYS444A, LYS555D, MET337A, MET337D, MET340A, MET340D, MET556D, MET562A, MET562D, PHE352D, PRO410A, PRO410D, SER339A, SER339D, SER557A, SER557D, TYR403A, TYR403D, TYR443A, TYR443D, VAL342A, VAL342D, VAL559D, VAL560A, VAL560D
• B-H: ALA272B, ALA273B, ALA282B, ALA284B, ALA285B, ALA285H, ALA309H, ALA367H, ARG275B, ARG277B, ARG287B, ARG297H, ARG300B, ARG307H, ARG350B, ARG378H, ASN276B, ASN279B, ASN291H, ASN293H, ASN295B, ASN323B, ASN368H, ASP270B, ASP280B, ASP283B, ASP287H, ASP310H, GLN291B, GLN292B, GLN382H, GLU281B, GLU297B, GLU380H, GLU426H, GLY278B, GLY288B, GLY293B, GLY306H, GLY311H, GLY325B, GLY353B, HIS298B, ILE294H, ILE326B, LEU286B, LEU289B, LEU295H, LEU296B, LEU308H, LEU313H, LEU352B, LYS292H, LYS305H, MET351B, PHE428H, PRO379H, PRO383H, SER290H, SER381H, THR312H, TYR304H, TYR365H, VAL290B, VAL294B, VAL324B
• D-F: ALA272F, ALA273F, ALA347F, ALA420D, ALA438D, ALA451D, ALA460D, ALA491D, ALA495D, ALA498D, ARG268F, ARG271F, ARG275F, ARG277F, ARG297D, ARG300F, ARG305F, ARG310F, ARG323D, ARG350F, ARG359D, ARG415D, ARG453D, ARG490D, ARG496D, ASN276F, ASN279F, ASN343F, ASN345F, ASN349F, ASN421D, ASN499D, ASP270F, ASP331F, ASP416D, ASP434D, ASP493D, ASP500D, ASP501D, ASP502D, ASP507D, GLN309F, GLN325D, GLN330D, GLN332D, GLN338F, GLU304F, GLU328D, GLU334D, GLU334F, GLU336D, GLU462D, GLY278F, GLY298D, GLY299D, GLY326D, GLY327D, GLY333F, GLY436D, GLY454D, GLY457D, GLY467D, HIS306F, HIS339F, HIS458D, ILE267F, ILE330F, ILE456D, ILE459D, LEU303F, LEU311F, LEU329D, LEU332F, LEU336F, LEU341F, LEU342F, LEU348F, LEU354F, LEU437D, LEU440D, LEU464D, LEU494D, LEU497D, LEU505D, LEU506D, LYS317D, LYS418D, LYS439D, LYS468D, MET274F, MET308F, MET337D, MET354D, MET504D, PHE300D, PHE331D, PHE435D, PHE476D, PHE492D, PRO312F, PRO356D, PRO461D, SER335F, SER465D, THR333D, THR455D, THR466D, TRP508D, TYR463D, VAL269F, VAL307F, VAL335D, VAL337F, VAL346F, VAL448D, VAL452D, VAL503D
• D-K: ALA272K, ALA273K, ALA282K, ALA284K, ALA285D, ALA285K, ALA309D, ALA347K, ALA367D, ARG275K, ARG277K, ARG287K, ARG297D, ARG300K, ARG307D, ARG350K, ARG378D, ASN276K, ASN279K, ASN291D, ASN293D, ASN295K, ASN349K, ASN368D, ASP270K, ASP280K, ASP283K, ASP287D, ASP310D, GLN291K, GLN382D, GLU281K, GLU297K, GLU377D, GLU380D, GLU426D, GLY278K, GLY288K, GLY293K, GLY296D, GLY306D, GLY311D, GLY325K, GLY353K, HIS298K, ILE294D, LEU286K, LEU289K, LEU295D, LEU296K, LEU299K, LEU308D, LEU313D, LEU348K, LEU352K, LEU354K, LYS292D, LYS305D, MET351K, PHE428D, PRO379D, PRO383D, SER290D, SER381D, THR312D, TYR304D, TYR365D, VAL284D, VAL290K, VAL294K, VAL324K
• G-H: ALA341G, ALA341H, ALA402G, ALA402H, ARG344G, ARG344H, ARG348G, ARG348H, ARG392G, ARG392H, ARG399G, ARG399H, ARG561G, ARG561H, ASN345G, ASN345H, ASP406G, ASP406H, ASP409G, ASP409H, ASP566G, ASP566H, CYS408G, CYS408H, GLU336H, GLU426G, GLU427G, GLU427H, GLU429H, GLU558H, GLU564G, GLU564H, GLY396G, GLY396H, GLY400G, GLY400H, GLY565G, GLY565H, GLY567H, HIS343G, HIS343H, HIS405G, HIS405H, HIS407G, HIS407H, ILE338G, ILE338H, ILE412G, ILE412H, LEU274G, LEU274H, LEU346G, LEU346H, LEU395G, LEU395H, LEU404H, LEU563H, LYS275G, LYS411G, LYS411H, LYS444G, LYS444H, LYS555H, MET337G, MET337H, MET340G, MET340H, MET562H, PRO410G, PRO410H, SER339G, SER339H, SER557G, SER557H, TYR403G, TYR403H, TYR443G, TYR443H, VAL342G, VAL342H, VAL560G, VAL560H
• G-K: ALA272K, ALA273K, ALA347K, ALA420G, ALA438G, ALA451G, ALA460G, ALA491G, ALA495G, ALA498G, ARG268K, ARG271K, ARG275K, ARG276G, ARG277K, ARG297G, ARG300K, ARG305K, ARG310K, ARG323G, ARG350K, ARG359G, ARG415G, ARG453G, ARG490G, ARG496G, ASN276K, ASN279K, ASN343K, ASN345K, ASN349K, ASN421G, ASN499G, ASP270K, ASP331K, ASP416G, ASP434G, ASP493G, ASP500G, ASP502G, ASP507G, GLN309K, GLN325G, GLN330G, GLN332G, GLN338K, GLU304K, GLU328G, GLU334G, GLU334K, GLU336G, GLU358G, GLU462G, GLY278K, GLY298G, GLY299G, GLY301G, GLY326G, GLY327G, GLY333K, GLY353K, GLY436G, GLY454G, GLY457G, GLY467G, HIS306K, HIS339K, HIS458G, ILE267K, ILE330K, ILE456G, ILE459G, LEU303K, LEU311K, LEU329G, LEU332K, LEU336K, LEU341K, LEU342K, LEU348K, LEU354K, LEU437G, LEU440G, LEU464G, LEU494G, LEU497G, LEU505G, LEU506G, LYS317G, LYS418G, LYS439G, LYS468G, MET274K, MET308K, MET337G, MET354G, MET504G, PHE300G, PHE331G, PHE435G, PHE476G, PHE492G, PRO312K, PRO356G, PRO461G, SER335K, SER465G, THR301K, THR333G, THR355G, THR357G, THR455G, THR466G, TRP508G, TYR463G, VAL269K, VAL307K, VAL337K, VAL346K, VAL417G, VAL448G, VAL452G, VAL503G
• H-L: ALA272L, ALA273L, ALA347L, ALA420H, ALA438H, ALA451H, ALA460H, ALA491H, ALA495H, ALA498H, ARG268L, ARG271L, ARG275L, ARG277L, ARG300L, ARG305L, ARG310L, ARG323H, ARG350L, ARG359H, ARG415H, ARG453H, ARG490H, ARG496H, ASN276L, ASN279L, ASN343L, ASN345L, ASN349L, ASN421H, ASN499H, ASP270L, ASP331L, ASP416H, ASP434H, ASP493H, ASP500H, ASP502H, ASP507H, GLN309L, GLN325H, GLN330H, GLN332H, GLN338L, GLU304L, GLU328H, GLU334H, GLU334L, GLU336H, GLU462H, GLY278L, GLY298H, GLY299H, GLY326H, GLY327H, GLY333L, GLY436H, GLY454H, GLY457H, GLY467H, HIS306L, HIS339L, HIS458H, ILE330L, ILE456H, ILE459H, LEU303L, LEU311L, LEU329H, LEU332L, LEU336L, LEU341L, LEU342L, LEU344L, LEU348L, LEU354L, LEU437H, LEU440H, LEU464H, LEU494H, LEU505H, LEU506H, LYS418H, LYS439H, LYS468H, MET274L, MET308L, MET337H, MET354H, MET504H, PHE300H, PHE331H, PHE435H, PHE476H, PHE492H, PRO312L, PRO461H, SER329L, SER335L, SER465H, SER548H, THR333H, THR455H, THR466H, TRP508H, TYR463H, VAL269L, VAL307L, VAL337L, VAL346L, VAL448H, VAL452H, VAL503H