2Y9K

three-dimensional model of salmonella's needle complex at subnanometer resolution

• Total interactions analyzed: 105
• Total true interactions: 15
• Strongest Interaction:
  • Chains: B-I
  • Int. Res.: 80
  • Norm. En. per Res.: 2.6244
• 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-D	-6.8127	-0.9218	273.301	265.5664	80	123	0	5326	0	16	13
A-J	0.0	-0.8852	218.602	217.7168	80	121	0	5258	0	16	13
B-I	-7.0054	-0.925	217.885	209.9546	80	121	0	5287	0	16	13
B-M	0.0	-0.8468	246.364	245.5172	80	121	0	5301	0	16	13
C-E	-2.3105	-0.9119	217.174	213.9516	80	121	0	5295	0	16	13
C-F	-6.9142	-0.9262	242.927	235.0866	80	121	0	5301	0	16	13
D-E	-6.3557	-0.8524	233.462	226.254	80	121	0	5292	0	16	13
F-H	-6.5503	-0.8883	240.581	233.1424	80	121	0	5273	0	16	13
G-J	-9.2686	-0.9115	230.238	220.0578	80	121	0	5327	0	16	13
G-K	0.0	-0.8556	253.268	252.4124	80	120	0	5235	0	16	13
H-L	-6.6287	-0.88	235.233	227.7243	80	120	0	5237	0	16	13
I-O	-8.9096	-0.8964	223.313	213.507	80	121	0	5293	0	16	13
K-O	0.0	-0.9069	237.504	236.5971	80	122	0	5292	0	16	13
L-N	-9.0632	-0.9092	252.231	242.2586	80	125	0	5343	0	16	14
M-N	0.0	-0.929	239.433	238.504	80	119	0	5270	0	16	13

Interface residues

• A-D: ALA104D, ALA110D, ALA162A, ALA163A, ALA48A, ALA50A, ALA63D, ALA64D, ALA98A, ARG108D, ARG128A, ARG139D, ARG143D, ARG65D, ASN109D, ASN124A, ASN142D, ASN170A, ASP103D, ASP141D, ASP167A, ASP47A, ASP95A, GLN169A, GLN52A, GLN87D, GLN97A, GLU106D, GLU121A, GLU55A, GLY145D, GLY151D, GLY89D, GLY96A, ILE58A, ILE68D, ILE91D, ILE99A, LEU114A, LEU114D, LEU119D, LEU126A, LEU42D, LEU51A, LEU53A, LEU84D, LEU86D, LEU88D, LEU90D, LYS134D, LYS144D, LYS168A, LYS54A, LYS66D, LYS67D, MET107D, MET158A, MET165A, MET166A, MET62D, PHE122A, PHE125A, PHE147D, PHE46D, PHE94A, PRO152D, PRO153D, PRO56A, SER105D, SER113D, SER85D, THR146D, THR164A, TYR100A, TYR102D, TYR148D, VAL111D, VAL112D, VAL117A, VAL57A
• A-J: ALA104A, ALA110A, ALA162J, ALA163J, ALA48J, ALA50J, ALA63A, ALA64A, ALA98J, ARG108A, ARG128J, ARG139A, ARG143A, ARG65A, ASN109A, ASN124J, ASN142A, ASN170J, ASP103A, ASP141A, ASP167J, ASP47J, ASP95J, GLN169J, GLN52J, GLN87A, GLN97J, GLU106A, GLU121J, GLU55J, GLY145A, GLY151A, GLY89A, GLY96J, ILE58J, ILE68A, ILE91A, ILE99J, LEU114A, LEU114J, LEU119A, LEU126J, LEU42A, LEU51J, LEU53J, LEU84A, LEU86A, LEU88A, LEU90A, LYS134A, LYS144A, LYS168J, LYS54J, LYS66A, LYS67A, MET107A, MET158J, MET165J, MET166J, MET62A, PHE122J, PHE125J, PHE147A, PHE46A, PHE94J, PRO152A, PRO153A, PRO56J, SER105A, SER113A, SER85A, THR146A, THR164J, TYR100J, TYR102A, TYR148A, VAL111A, VAL112A, VAL117J, VAL57J
• B-I: ALA104I, ALA110I, ALA162B, ALA163B, ALA48B, ALA50B, ALA63I, ALA64I, ALA98B, ARG108I, ARG128B, ARG139I, ARG143I, ARG65I, ASN109I, ASN124B, ASN142I, ASN170B, ASP103I, ASP141I, ASP167B, ASP47B, ASP95B, GLN169B, GLN52B, GLN87I, GLN97B, GLU106I, GLU121B, GLU55B, GLY145I, GLY151I, GLY89I, GLY96B, ILE58B, ILE68I, ILE91I, ILE99B, LEU114B, LEU114I, LEU119I, LEU126B, LEU42I, LEU51B, LEU53B, LEU84I, LEU86I, LEU88I, LEU90I, LYS134I, LYS144I, LYS168B, LYS54B, LYS66I, LYS67I, MET107I, MET158B, MET165B, MET166B, MET62I, PHE122B, PHE125B, PHE147I, PHE46I, PHE94B, PRO152I, PRO153I, PRO56B, SER105I, SER113I, SER85I, THR146I, THR164B, TYR100B, TYR102I, TYR148I, VAL111I, VAL112I, VAL117B, VAL57B
• B-M: ALA104B, ALA110B, ALA162M, ALA163M, ALA48M, ALA50M, ALA63B, ALA64B, ALA98M, ARG108B, ARG128M, ARG139B, ARG143B, ARG65B, ASN109B, ASN124M, ASN142B, ASN170M, ASP103B, ASP141B, ASP167M, ASP47M, ASP95M, GLN169M, GLN52M, GLN87B, GLN97M, GLU106B, GLU121M, GLU55M, GLY145B, GLY151B, GLY89B, GLY96M, ILE58M, ILE68B, ILE91B, ILE99M, LEU114B, LEU114M, LEU119B, LEU126M, LEU42B, LEU51M, LEU53M, LEU84B, LEU86B, LEU88B, LEU90B, LYS134B, LYS144B, LYS168M, LYS54M, LYS66B, LYS67B, MET107B, MET158M, MET165M, MET166M, MET62B, PHE122M, PHE125M, PHE147B, PHE46B, PHE94M, PRO152B, PRO153B, PRO56M, SER105B, SER113B, SER85B, THR146B, THR164M, TYR100M, TYR102B, TYR148B, VAL111B, VAL112B, VAL117M, VAL57M
• C-E: ALA104C, ALA110C, ALA162E, ALA163E, ALA48E, ALA50E, ALA63C, ALA64C, ALA98E, ARG108C, ARG128E, ARG139C, ARG143C, ARG65C, ASN109C, ASN124E, ASN142C, ASN170E, ASP103C, ASP141C, ASP167E, ASP47E, ASP95E, GLN169E, GLN52E, GLN87C, GLN97E, GLU106C, GLU121E, GLU55E, GLY145C, GLY151C, GLY89C, GLY96E, ILE58E, ILE68C, ILE91C, ILE99E, LEU114C, LEU114E, LEU119C, LEU126E, LEU42C, LEU51E, LEU53E, LEU84C, LEU86C, LEU88C, LEU90C, LYS134C, LYS144C, LYS168E, LYS54E, LYS66C, LYS67C, MET107C, MET158E, MET165E, MET166E, MET62C, PHE122E, PHE125E, PHE147C, PHE46C, PHE94E, PRO152C, PRO153C, PRO56E, SER105C, SER113C, SER85C, THR146C, THR164E, TYR100E, TYR102C, TYR148C, VAL111C, VAL112C, VAL117E, VAL57E
• C-F: ALA104F, ALA110F, ALA162C, ALA163C, ALA48C, ALA50C, ALA63F, ALA64F, ALA98C, ARG108F, ARG128C, ARG139F, ARG143F, ARG65F, ASN109F, ASN124C, ASN142F, ASN170C, ASP103F, ASP141F, ASP167C, ASP47C, ASP95C, GLN169C, GLN52C, GLN87F, GLN97C, GLU106F, GLU121C, GLU55C, GLY145F, GLY151F, GLY89F, GLY96C, ILE58C, ILE68F, ILE91F, ILE99C, LEU114C, LEU114F, LEU119F, LEU126C, LEU42F, LEU51C, LEU53C, LEU84F, LEU86F, LEU88F, LEU90F, LYS134F, LYS144F, LYS168C, LYS54C, LYS66F, LYS67F, MET107F, MET158C, MET165C, MET166C, MET62F, PHE122C, PHE125C, PHE147F, PHE46F, PHE94C, PRO152F, PRO153F, PRO56C, SER105F, SER113F, SER85F, THR146F, THR164C, TYR100C, TYR102F, TYR148F, VAL111F, VAL112F, VAL117C, VAL57C
• D-E: ALA104E, ALA110E, ALA162D, ALA163D, ALA48D, ALA50D, ALA63E, ALA64E, ALA98D, ARG108E, ARG128D, ARG139E, ARG143E, ARG65E, ASN109E, ASN124D, ASN142E, ASN170D, ASP103E, ASP141E, ASP167D, ASP47D, ASP95D, GLN169D, GLN52D, GLN87E, GLN97D, GLU106E, GLU121D, GLU55D, GLY145E, GLY151E, GLY89E, GLY96D, ILE58D, ILE68E, ILE91E, ILE99D, LEU114D, LEU114E, LEU119E, LEU126D, LEU42E, LEU51D, LEU53D, LEU84E, LEU86E, LEU88E, LEU90E, LYS134E, LYS144E, LYS168D, LYS54D, LYS66E, LYS67E, MET107E, MET158D, MET165D, MET166D, MET62E, PHE122D, PHE125D, PHE147E, PHE46E, PHE94D, PRO152E, PRO153E, PRO56D, SER105E, SER113E, SER85E, THR146E, THR164D, TYR100D, TYR102E, TYR148E, VAL111E, VAL112E, VAL117D, VAL57D
• F-H: ALA104H, ALA110H, ALA162F, ALA163F, ALA48F, ALA50F, ALA63H, ALA64H, ALA98F, ARG108H, ARG128F, ARG139H, ARG143H, ARG65H, ASN109H, ASN124F, ASN142H, ASN170F, ASP103H, ASP141H, ASP167F, ASP47F, ASP95F, GLN169F, GLN52F, GLN87H, GLN97F, GLU106H, GLU121F, GLU55F, GLY145H, GLY151H, GLY89H, GLY96F, ILE58F, ILE68H, ILE91H, ILE99F, LEU114F, LEU114H, LEU119H, LEU126F, LEU42H, LEU51F, LEU53F, LEU84H, LEU86H, LEU88H, LEU90H, LYS134H, LYS144H, LYS168F, LYS54F, LYS66H, LYS67H, MET107H, MET158F, MET165F, MET166F, MET62H, PHE122F, PHE125F, PHE147H, PHE46H, PHE94F, PRO152H, PRO153H, PRO56F, SER105H, SER113H, SER85H, THR146H, THR164F, TYR100F, TYR102H, TYR148H, VAL111H, VAL112H, VAL117F, VAL57F
• G-J: ALA104J, ALA110J, ALA162G, ALA163G, ALA48G, ALA50G, ALA63J, ALA64J, ALA98G, ARG108J, ARG128G, ARG139J, ARG143J, ARG65J, ASN109J, ASN124G, ASN142J, ASN170G, ASP103J, ASP141J, ASP167G, ASP47G, ASP95G, GLN169G, GLN52G, GLN87J, GLN97G, GLU106J, GLU121G, GLU55G, GLY145J, GLY151J, GLY89J, GLY96G, ILE58G, ILE68J, ILE91J, ILE99G, LEU114G, LEU114J, LEU119J, LEU126G, LEU42J, LEU51G, LEU53G, LEU84J, LEU86J, LEU88J, LEU90J, LYS134J, LYS144J, LYS168G, LYS54G, LYS66J, LYS67J, MET107J, MET158G, MET165G, MET166G, MET62J, PHE122G, PHE125G, PHE147J, PHE46J, PHE94G, PRO152J, PRO153J, PRO56G, SER105J, SER113J, SER85J, THR146J, THR164G, TYR100G, TYR102J, TYR148J, VAL111J, VAL112J, VAL117G, VAL57G
• G-K: ALA104G, ALA110G, ALA162K, ALA163K, ALA48K, ALA50K, ALA63G, ALA64G, ALA98K, ARG108G, ARG128K, ARG139G, ARG143G, ARG65G, ASN109G, ASN124K, ASN142G, ASN170K, ASP103G, ASP141G, ASP167K, ASP47K, ASP95K, GLN169K, GLN52K, GLN87G, GLN97K, GLU106G, GLU121K, GLU55K, GLY145G, GLY151G, GLY89G, GLY96K, ILE58K, ILE68G, ILE91G, ILE99K, LEU114G, LEU114K, LEU119G, LEU126K, LEU42G, LEU51K, LEU53K, LEU84G, LEU86G, LEU88G, LEU90G, LYS134G, LYS144G, LYS168K, LYS54K, LYS66G, LYS67G, MET107G, MET158K, MET165K, MET166K, MET62G, PHE122K, PHE125K, PHE147G, PHE46G, PHE94K, PRO152G, PRO153G, PRO56K, SER105G, SER113G, SER85G, THR146G, THR164K, TYR100K, TYR102G, TYR148G, VAL111G, VAL112G, VAL117K, VAL57K
• H-L: ALA104L, ALA110L, ALA162H, ALA163H, ALA48H, ALA50H, ALA63L, ALA64L, ALA98H, ARG108L, ARG128H, ARG139L, ARG143L, ARG65L, ASN109L, ASN124H, ASN142L, ASN170H, ASP103L, ASP141L, ASP167H, ASP47H, ASP95H, GLN169H, GLN52H, GLN87L, GLN97H, GLU106L, GLU121H, GLU55H, GLY145L, GLY151L, GLY89L, GLY96H, ILE58H, ILE68L, ILE91L, ILE99H, LEU114H, LEU114L, LEU119L, LEU126H, LEU42L, LEU51H, LEU53H, LEU84L, LEU86L, LEU88L, LEU90L, LYS134L, LYS144L, LYS168H, LYS54H, LYS66L, LYS67L, MET107L, MET158H, MET165H, MET166H, MET62L, PHE122H, PHE125H, PHE147L, PHE46L, PHE94H, PRO152L, PRO153L, PRO56H, SER105L, SER113L, SER85L, THR146L, THR164H, TYR100H, TYR102L, TYR148L, VAL111L, VAL112L, VAL117H, VAL57H
• I-O: ALA104O, ALA110O, ALA162I, ALA163I, ALA48I, ALA50I, ALA63O, ALA64O, ALA98I, ARG108O, ARG128I, ARG139O, ARG143O, ARG65O, ASN109O, ASN124I, ASN142O, ASN170I, ASP103O, ASP141O, ASP167I, ASP47I, ASP95I, GLN169I, GLN52I, GLN87O, GLN97I, GLU106O, GLU121I, GLU55I, GLY145O, GLY151O, GLY89O, GLY96I, ILE58I, ILE68O, ILE91O, ILE99I, LEU114I, LEU114O, LEU119O, LEU126I, LEU42O, LEU51I, LEU53I, LEU84O, LEU86O, LEU88O, LEU90O, LYS134O, LYS144O, LYS168I, LYS54I, LYS66O, LYS67O, MET107O, MET158I, MET165I, MET166I, MET62O, PHE122I, PHE125I, PHE147O, PHE46O, PHE94I, PRO152O, PRO153O, PRO56I, SER105O, SER113O, SER85O, THR146O, THR164I, TYR100I, TYR102O, TYR148O, VAL111O, VAL112O, VAL117I, VAL57I
• K-O: ALA104K, ALA110K, ALA162O, ALA163O, ALA48O, ALA50O, ALA63K, ALA64K, ALA98O, ARG108K, ARG128O, ARG139K, ARG143K, ARG65K, ASN109K, ASN124O, ASN142K, ASN170O, ASP103K, ASP141K, ASP167O, ASP47O, ASP95O, GLN169O, GLN52O, GLN87K, GLN97O, GLU106K, GLU121O, GLU55O, GLY145K, GLY151K, GLY89K, GLY96O, ILE58O, ILE68K, ILE91K, ILE99O, LEU114K, LEU114O, LEU119K, LEU126O, LEU42K, LEU51O, LEU53O, LEU84K, LEU86K, LEU88K, LEU90K, LYS134K, LYS144K, LYS168O, LYS54O, LYS66K, LYS67K, MET107K, MET158O, MET165O, MET166O, MET62K, PHE122O, PHE125O, PHE147K, PHE46K, PHE94O, PRO152K, PRO153K, PRO56O, SER105K, SER113K, SER85K, THR146K, THR164O, TYR100O, TYR102K, TYR148K, VAL111K, VAL112K, VAL117O, VAL57O
• L-N: ALA104N, ALA110N, ALA162L, ALA163L, ALA48L, ALA50L, ALA63N, ALA64N, ALA98L, ARG108N, ARG128L, ARG139N, ARG143N, ARG65N, ASN109N, ASN124L, ASN142N, ASN170L, ASP103N, ASP141N, ASP167L, ASP47L, ASP95L, GLN169L, GLN52L, GLN87N, GLN97L, GLU106N, GLU121L, GLU55L, GLY145N, GLY151N, GLY89N, GLY96L, ILE58L, ILE68N, ILE91N, ILE99L, LEU114L, LEU114N, LEU119N, LEU126L, LEU42N, LEU51L, LEU53L, LEU84N, LEU86N, LEU88N, LEU90N, LYS134N, LYS144N, LYS168L, LYS54L, LYS66N, LYS67N, MET107N, MET158L, MET165L, MET166L, MET62N, PHE122L, PHE125L, PHE147N, PHE46N, PHE94L, PRO152N, PRO153N, PRO56L, SER105N, SER113N, SER85N, THR146N, THR164L, TYR100L, TYR102N, TYR148N, VAL111N, VAL112N, VAL117L, VAL57L
• M-N: ALA104M, ALA110M, ALA162N, ALA163N, ALA48N, ALA50N, ALA63M, ALA64M, ALA98N, ARG108M, ARG128N, ARG139M, ARG143M, ARG65M, ASN109M, ASN124N, ASN142M, ASN170N, ASP103M, ASP141M, ASP167N, ASP47N, ASP95N, GLN169N, GLN52N, GLN87M, GLN97N, GLU106M, GLU121N, GLU55N, GLY145M, GLY151M, GLY89M, GLY96N, ILE58N, ILE68M, ILE91M, ILE99N, LEU114M, LEU114N, LEU119M, LEU126N, LEU42M, LEU51N, LEU53N, LEU84M, LEU86M, LEU88M, LEU90M, LYS134M, LYS144M, LYS168N, LYS54N, LYS66M, LYS67M, MET107M, MET158N, MET165N, MET166N, MET62M, PHE122N, PHE125N, PHE147M, PHE46M, PHE94N, PRO152M, PRO153M, PRO56N, SER105M, SER113M, SER85M, THR146M, THR164N, TYR100N, TYR102M, TYR148M, VAL111M, VAL112M, VAL117N, VAL57N