3UTT

1e6-a*0201-alwgpdpaaa complex, triclinic

• Total interactions analyzed: 45
• Total true interactions: 19
• Strongest Interaction:
  • Chains: F-G
  • Int. Res.: 126
  • Norm. En. per Res.: -4.7224
• 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	-56.4232	-81.0451	-394.908	-532.3763	125	22	2	14031	3	44	44
A-C	-32.412	-4.3305	-269.139	-305.8815	86	26	5	9675	0	10	3
A-D	-4.7112	-11.3823	-34.8679	-50.9614	31	2	0	1450	2	11	13
A-E	0.0	-13.562	-59.011	-72.573	48	5	2	3292	1	20	10
A-J	-12.4303	3.7773	-67.7179	-76.3708	40	5	2	2865	1	7	14
B-J	0.0	-0.7341	-47.2309	-47.965	45	2	0	2561	0	14	17
C-D	0.0	0.0	-50.9515	-50.9515	18	4	0	1413	0	2	1
C-E	-6.1509	0.0	-32.7679	-38.9188	19	2	0	995	0	1	3
D-E	-60.8711	-92.8508	107.287	-46.4349	231	56	17	26703	9	50	44
E-F	0.0	33.6633	-80.9345	-47.2712	41	13	1	3233	1	10	14
E-G	0.0	-0.0599	-54.6448	-54.7047	47	0	0	2685	0	19	17
E-J	0.0	0.0	-0.3107	-0.3107	6	0	0	52	0	0	1
F-G	-77.0403	-91.6521	-426.332	-595.0244	126	28	2	14552	4	48	45
F-H	-31.6538	-4.1678	-299.377	-335.1986	85	20	5	10033	0	10	4
F-I	-2.6612	-3.4992	-31.5414	-37.7018	31	2	0	1433	0	12	13
F-J	0.0	-18.3295	-78.8443	-97.1738	50	6	2	3602	1	20	11
H-I	0.0	0.0	-46.47	-46.47	16	4	0	1275	0	2	1
H-J	0.0	0.0	-35.9482	-35.9482	19	0	0	1079	0	2	3
I-J	-66.6842	-50.7976	81.8821	-35.5998	226	58	16	27196	6	50	47

Interface residues

• A-B: ALA117A, ALA125A, ALA236A, ALA246A, ALA24A, ALA40A, ARG12B, ARG14A, ARG17A, ARG202A, ARG21A, ARG234A, ARG35A, ARG3B, ARG48A, ARG6A, ARG97A, ARG97B, ASN21B, ASN24B, ASP119A, ASP122A, ASP238A, ASP30A, ASP34B, ASP37A, ASP53B, ASP59B, ASP96B, ASP98B, CYS25B, GLN115A, GLN242A, GLN2B, GLN32A, GLN87A, GLN8B, GLN96A, GLU229A, GLU232A, GLU46A, GLY120A, GLY237A, GLY239A, GLY26A, GLY29B, GLY91A, HIS114A, HIS13B, HIS188A, HIS191A, HIS192A, HIS31B, HIS51B, HIS93A, ILE124A, ILE1B, ILE23A, ILE35B, ILE7B, LEU206A, LEU230A, LEU54B, LEU64B, LEU65B, LYS121A, LYS186A, LYS243A, LYS58B, LYS6B, MET0B, MET98A, MET99B, PHE22A, PHE22B, PHE241A, PHE30B, PHE36A, PHE56B, PHE62B, PHE8A, PHE9A, PRO14B, PRO235A, PRO32B, PRO47A, SER11A, SER11B, SER207A, SER28B, SER33B, SER52B, SER55B, SER57B, SER61B, SER92A, THR10A, THR190A, THR200A, THR233A, THR240A, THR94A, TRP204A, TRP244A, TRP60B, TRP95B, TYR10B, TYR116A, TYR118A, TYR123A, TYR26B, TYR27A, TYR63B, TYR66B, TYR67B, TYR7A, TYR99A, VAL12A, VAL231A, VAL25A, VAL27B, VAL34A, VAL85B, VAL95A, VAL9B
• A-C: ALA10C, ALA139A, ALA140A, ALA150A, ALA153A, ALA158A, ALA1C, ALA24A, ALA69A, ALA8C, ALA9C, ARG157A, ARG170A, ARG65A, ARG6A, ARG97A, ASP6C, ASP77A, CYS164A, GLN155A, GLN72A, GLU154A, GLU166A, GLU55A, GLU63A, GLY100A, GLY26A, GLY4C, GLY62A, HIS114A, HIS151A, HIS70A, HIS74A, ILE124A, ILE52A, LEU156A, LEU160A, LEU168A, LEU2C, LEU78A, LEU81A, LYS144A, LYS146A, LYS66A, LYS68A, MET45A, MET5A, PHE22A, PHE33A, PHE36A, PHE8A, PHE9A, PRO5C, PRO7C, SER71A, THR142A, THR143A, THR163A, THR64A, THR73A, THR80A, TRP133A, TRP147A, TRP167A, TRP3C, TRP51A, TRP60A, TYR116A, TYR118A, TYR123A, TYR159A, TYR171A, TYR27A, TYR59A, TYR7A, TYR84A, TYR85A, TYR99A, VAL152A, VAL165A, VAL25A, VAL28A, VAL34A, VAL67A, VAL76A, VAL95A
• A-D: ALA158A, ALA29D, ALA69A, ARG65A, ARG92D, ASP61A, ASP94D, GLN155A, GLN31D, GLU154A, GLU166A, GLU58A, GLU63A, GLY162A, GLY62A, GLY93D, HIS151A, LYS66A, LYS98D, SER52D, SER95D, SER96D, THR163A, THR73A, TRP167A, TYR159A, TYR32D, TYR49D, TYR51D, TYR59A, TYR97D
• A-E: ALA101E, ALA149A, ALA150A, ALA153A, ALA69A, ARG65A, ARG75A, ASN103E, ASN50E, ASN51E, ASN52E, ASP30E, ASP56E, ASP57E, ASP61A, GLN155A, GLN72A, GLU148A, GLU154A, GLU19A, GLU98E, GLY59E, GLY62A, HIS151A, HIS70A, HIS74A, ILE55E, LEU100E, LEU156A, LYS102E, LYS146A, LYS66A, LYS68A, LYS99E, PHE49E, PRO54E, SER58E, SER71A, THR64A, THR73A, TRP133A, TRP147A, TRP97E, TYR31E, TYR48E, VAL152A, VAL53E, VAL76A
• A-J: ALA2J, ALA90A, ARG14A, ARG17A, ARG22J, ARG75A, ARG82A, ARG9J, ASN71J, ASP39A, CYS23J, GLN6J, GLN87A, GLU19A, GLU221J, GLU89A, GLY16A, GLY18A, GLY28J, GLY3J, GLY79A, GLY91A, ILE26J, ILE5J, LEU21J, LYS24J, PHE74J, PRO15A, PRO25J, PRO70J, PRO8J, SER13A, SER27J, SER73J, SER75J, SER7J, SER88A, THR20J, THR76J, VAL4J
• B-J: ALA230J, ARG211J, ARG229J, ARG45B, ARG81B, ASN164J, ASN83B, ASP38B, GLN213J, GLN215J, GLN227J, GLN235J, GLN89B, GLU167J, GLU221J, GLU224J, GLU240J, GLU36B, GLU44B, GLU47B, GLY165J, GLY43B, HIS209J, HIS51B, ILE236J, ILE46B, LEU219J, LEU87B, LYS166J, LYS231J, LYS48B, PRO124J, PRO232J, PRO90B, SER220J, SER238J, SER88B, THR226J, THR234J, TRP162J, TRP225J, TRP242J, VAL233J, VAL237J, VAL49B
• C-D: ALA1C, ALA8C, ALA9C, ARG92D, ASP6C, ASP94D, GLN31D, GLY4C, GLY93D, LEU2C, LYS98D, PRO5C, PRO7C, SER95D, SER96D, TRP3C, TYR32D, TYR97D
• C-E: ALA101E, ALA8C, ALA9C, ASN103E, ASN50E, ASN51E, ASP30E, ASP56E, ASP6C, GLU98E, GLY4C, ILE55E, LEU100E, PRO5C, PRO7C, TRP3C, TRP97E, TYR31E, TYR48E
• D-E: ALA101E, ALA109E, ALA119D, ALA128E, ALA135E, ALA143E, ALA149E, ALA173D, ALA175D, ALA184E, ALA191E, ALA200E, ALA239E, ALA241E, ALA245E, ALA88E, ALA90D, ALA93E, ARG106D, ARG112E, ARG124D, ARG164D, ARG189E, ARG195E, ARG197E, ARG244E, ARG41D, ARG41E, ARG92D, ASN103E, ASN171D, ASN178D, ASN50E, ASP117D, ASP125D, ASP130D, ASP138D, ASP150D, ASP152D, ASP155E, ASP157D, ASP162D, ASP167D, ASP175E, ASP196D, ASP246E, ASP56E, ASP57E, CYS134D, CYS147E, CYS159D, CYS173E, CYS89D, CYS92E, GLN105E, GLN122D, GLN141E, GLN147D, GLN177E, GLN182E, GLN204E, GLN31D, GLN37E, GLN38D, GLN6D, GLN6E, GLU126E, GLU131E, GLU134E, GLU136E, GLU181E, GLU240E, GLU44E, GLU45D, GLU98E, GLY102D, GLY104D, GLY108E, GLY110E, GLY151E, GLY171E, GLY42E, GLY43D, GLY59E, GLY93D, GLY9D, HIS10E, HIS139E, HIS156E, HIS169E, ILE100D, ILE104E, ILE137E, ILE155D, ILE47E, ILE55E, LEU100E, LEU108D, LEU113E, LEU123D, LEU135D, LEU145E, LEU148E, LEU161D, LEU179E, LEU192E, LEU196E, LEU43E, LEU45E, LEU46D, LEU46E, LEU47D, LEU88D, LEU96E, LEU99D, LYS102E, LYS127D, LYS131D, LYS142E, LYS149D, LYS158D, LYS169D, LYS180E, LYS42D, LYS56D, LYS98D, LYS99E, MET163D, MET166D, MET34D, MET39E, MET40E, MET48D, MET60E, MET91D, PHE101D, PHE107E, PHE130E, PHE136D, PHE139D, PHE168D, PHE188D, PHE198D, PHE199D, PHE202E, PHE33D, PHE33E, PHE49E, PHE91E, PRO10D, PRO118D, PRO132E, PRO176E, PRO178E, PRO183E, PRO200D, PRO44D, PRO8D, SER103D, SER114E, SER126D, SER128D, SER129D, SER132D, SER133E, SER138E, SER148D, SER151D, SER165D, SER170D, SER170E, SER172D, SER177D, SER188E, SER193E, SER194E, SER199E, SER201D, SER40D, SER58E, SER87E, SER95D, SER95E, SER96D, THR105D, THR111E, THR137D, THR140E, THR144E, THR150E, THR156D, THR174E, THR197D, THR201E, THR38E, THR50D, THR86D, TRP161E, TRP176D, TRP203E, TRP242E, TRP35D, TRP97E, TYR106E, TYR121D, TYR154D, TYR190E, TYR31E, TYR32D, TYR35E, TYR36D, TYR39D, TYR48E, TYR49D, TYR51D, TYR90E, TYR97D, VAL120D, VAL127E, VAL129E, VAL133D, VAL145D, VAL146E, VAL153D, VAL157E, VAL160D, VAL172E, VAL174D, VAL198E, VAL4D, VAL89E
• E-F: ALA90F, ARG14F, ARG17F, ARG21F, ARG22E, ARG75F, ARG82F, ARG9E, ASN222E, ASN71E, CYS23E, GLN6E, GLU11E, GLU19F, GLU221E, GLU89F, GLY16F, GLY18F, GLY28E, GLY3E, GLY79F, GLY91F, ILE26E, ILE5E, LEU21E, LYS24E, PHE74E, PRO15F, PRO25E, PRO70E, PRO8E, SER13F, SER27E, SER73E, SER75E, SER7E, SER88F, THR20E, THR76E, TRP34E, VAL4E
• E-G: ALA230E, ARG211E, ARG229E, ARG45G, ARG81G, ASN164E, ASN83G, ASP223E, ASP228E, ASP38G, GLN213E, GLN215E, GLN227E, GLN235E, GLN89G, GLU167E, GLU221E, GLU224E, GLU240E, GLU36G, GLU44G, GLU47G, GLY165E, GLY43G, HIS209E, HIS51G, HIS84G, ILE236E, ILE46G, LEU219E, LEU40G, LEU87G, LYS166E, LYS231E, PRO124E, PRO232E, PRO90G, SER220E, SER238E, SER88G, THR226E, THR234E, TRP162E, TRP225E, TRP242E, VAL233E, VAL237E
• E-J: ASN52E, ASN52J, ASN71E, ASN71J, PRO70E, PRO70J
• F-G: ALA117F, ALA125F, ALA15G, ALA236F, ALA246F, ALA24F, ALA40F, ARG12G, ARG14F, ARG202F, ARG21F, ARG234F, ARG35F, ARG3G, ARG48F, ARG6F, ARG97F, ARG97G, ASN21G, ASN24G, ASP119F, ASP122F, ASP238F, ASP30F, ASP34G, ASP37F, ASP53G, ASP59G, ASP96G, ASP98G, CYS25G, GLN115F, GLN242F, GLN2G, GLN32F, GLN87F, GLN8G, GLN96F, GLU229F, GLU232F, GLU46F, GLU50G, GLY120F, GLY237F, GLY239F, GLY26F, GLY29G, GLY91F, HIS114F, HIS13G, HIS188F, HIS191F, HIS192F, HIS31G, HIS51G, HIS93F, ILE124F, ILE1G, ILE23F, ILE7G, LEU206F, LEU230F, LEU23G, LEU54G, LEU64G, LEU65G, LYS121F, LYS186F, LYS243F, LYS58G, LYS6G, MET0G, MET98F, MET99G, PHE22F, PHE22G, PHE241F, PHE30G, PHE36F, PHE56G, PHE62G, PHE8F, PHE9F, PRO14G, PRO235F, PRO32G, PRO47F, SER11F, SER11G, SER13F, SER207F, SER28G, SER33G, SER52G, SER55G, SER57G, SER61G, SER92F, THR10F, THR190F, THR200F, THR233F, THR240F, THR94F, TRP204F, TRP244F, TRP60G, TRP95G, TYR10G, TYR116F, TYR118F, TYR123F, TYR26G, TYR27F, TYR63G, TYR66G, TYR67G, TYR7F, TYR99F, VAL12F, VAL231F, VAL25F, VAL27G, VAL34F, VAL95F, VAL9G
• F-H: ALA10H, ALA139F, ALA140F, ALA150F, ALA153F, ALA158F, ALA1H, ALA24F, ALA69F, ALA8H, ALA9H, ARG157F, ARG170F, ARG65F, ARG6F, ARG97F, ASP6H, ASP77F, CYS101F, CYS164F, GLN155F, GLN72F, GLU154F, GLU166F, GLU55F, GLU63F, GLY100F, GLY26F, GLY4H, GLY62F, HIS114F, HIS151F, HIS70F, HIS74F, ILE124F, ILE52F, LEU126F, LEU156F, LEU160F, LEU168F, LEU2H, LEU78F, LEU81F, LYS144F, LYS146F, LYS66F, LYS68F, MET45F, MET5F, PHE22F, PHE33F, PHE36F, PHE8F, PHE9F, PRO5H, PRO7H, SER71F, THR142F, THR143F, THR163F, THR64F, THR73F, THR80F, TRP133F, TRP147F, TRP167F, TRP3H, TRP51F, TYR116F, TYR118F, TYR123F, TYR159F, TYR171F, TYR59F, TYR7F, TYR84F, TYR99F, VAL152F, VAL165F, VAL25F, VAL28F, VAL34F, VAL67F, VAL76F, VAL95F
• F-I: ALA158F, ALA29I, ALA69F, ARG65F, ARG92I, ASN27I, ASP61F, ASP94I, GLN155F, GLN31I, GLU58F, GLU63F, GLY62F, GLY93I, HIS70F, ILE100I, LYS66F, LYS98I, SER28I, SER52I, SER95I, SER96I, THR163F, THR64F, TRP167F, TYR159F, TYR32I, TYR49I, TYR51I, TYR59F, TYR97I
• F-J: ALA101J, ALA149F, ALA150F, ALA153F, ALA69F, ARG65F, ARG75F, ASN103J, ASN50J, ASN51J, ASN52J, ASP30J, ASP56J, ASP57J, ASP61F, ASP77F, GLN155F, GLN72F, GLU154F, GLU19F, GLU98J, GLY59J, HIS151F, HIS70F, HIS74F, ILE55J, LEU100J, LEU156F, LEU45J, LEU96J, LYS102J, LYS146F, LYS66F, LYS68F, LYS99J, PHE49J, PRO54J, SER58J, SER71F, THR64F, THR73F, TRP133F, TRP147F, TRP97J, TYR31J, TYR48J, VAL152F, VAL53J, VAL67F, VAL76F
• H-I: ALA1H, ALA8H, ARG92I, ASP6H, ASP94I, GLY4H, GLY93I, LEU2H, LYS98I, PRO5H, PRO7H, SER95I, SER96I, TRP3H, TYR32I, TYR97I
• H-J: ALA101J, ALA8H, ALA9H, ASN103J, ASN50J, ASN51J, ASP30J, ASP56J, ASP6H, GLU98J, GLY4H, ILE55J, LEU100J, PRO5H, PRO7H, TRP3H, TRP97J, TYR31J, TYR48J
• I-J: ALA101J, ALA109J, ALA119I, ALA128J, ALA135J, ALA143J, ALA149J, ALA173I, ALA175I, ALA184J, ALA191J, ALA200J, ALA239J, ALA241J, ALA85I, ALA90I, ALA93J, ARG106I, ARG112J, ARG124I, ARG164I, ARG189J, ARG195J, ARG197J, ARG244J, ARG36J, ARG41I, ARG41J, ARG92I, ARG9J, ASN103J, ASN171I, ASN178I, ASN50J, ASP117I, ASP125I, ASP130I, ASP138I, ASP152I, ASP155J, ASP157I, ASP162I, ASP167I, ASP175J, ASP196I, ASP246J, ASP56J, ASP57J, CYS134I, CYS147J, CYS159I, CYS173J, CYS184I, CYS89I, CYS92J, GLN105J, GLN122I, GLN141J, GLN147I, GLN177J, GLN182J, GLN31I, GLN37J, GLN38I, GLN6I, GLN6J, GLU126J, GLU131J, GLU134J, GLU136J, GLU158J, GLU181J, GLU240J, GLU44J, GLU45I, GLU98J, GLY102I, GLY104I, GLY108J, GLY110J, GLY151J, GLY171J, GLY42J, GLY43I, GLY59J, GLY93I, GLY9I, HIS10J, HIS139J, HIS156J, HIS169J, ILE100I, ILE104J, ILE137J, ILE155I, ILE47J, ILE55J, LEU100J, LEU108I, LEU123I, LEU135I, LEU145J, LEU148J, LEU159J, LEU161I, LEU179J, LEU185J, LEU192J, LEU196J, LEU43J, LEU45J, LEU46I, LEU46J, LEU47I, LEU88I, LEU96J, LEU99I, LYS102J, LYS127I, LYS131I, LYS142J, LYS158I, LYS169I, LYS180J, LYS42I, LYS98I, LYS99J, MET163I, MET166I, MET34I, MET40J, MET48I, MET60J, MET91I, PHE101I, PHE107J, PHE130J, PHE136I, PHE139I, PHE152J, PHE168I, PHE198I, PHE199I, PHE202J, PHE33I, PHE33J, PHE49J, PHE91J, PRO10I, PRO118I, PRO132J, PRO176J, PRO178J, PRO183J, PRO200I, PRO44I, PRO8I, SER103I, SER126I, SER128I, SER129I, SER132I, SER133J, SER138J, SER151I, SER165I, SER170I, SER170J, SER172I, SER177I, SER188J, SER193J, SER194J, SER199J, SER201I, SER40I, SER58J, SER84I, SER95I, SER95J, SER96I, THR105I, THR111J, THR137I, THR140J, THR144J, THR150J, THR156I, THR174J, THR197I, THR38J, THR50I, THR86I, TRP161J, TRP176I, TRP203J, TRP242J, TRP97J, TYR106J, TYR121I, TYR154I, TYR190J, TYR217J, TYR31J, TYR32I, TYR35J, TYR36I, TYR39I, TYR48J, TYR49I, TYR51I, TYR87I, TYR97I, VAL120I, VAL127J, VAL129J, VAL133I, VAL146J, VAL153I, VAL157J, VAL160I, VAL172J, VAL174I, VAL198J, VAL4I, VAL89J