3UTS

1e6-a*0201-alwgpdpaaa complex, monoclinic

• Total interactions analyzed: 45
• Total true interactions: 18
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 122
  • Norm. En. per Res.: -3.7516
• Hub Node: A(6)

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	-36.8281	-67.1734	-353.698	-457.6996	122	6	2	13133	2	47	39
A-C	-27.5958	-3.0756	-247.063	-277.7344	81	13	6	8849	0	9	2
A-D	-9.7547	-11.2755	-39.1871	-60.2173	40	3	0	1779	2	13	13
A-E	0.0	-13.5599	-41.1188	-54.6787	39	1	0	2117	0	14	11
A-F	0.0	46.6998	-69.7623	-23.0625	67	1	0	2755	0	20	24
A-G	0.0	0.0	-6.7155	-6.7155	10	0	0	452	0	2	1
B-F	0.0	0.0	-0.0231	-0.0231	2	0	0	17	0	0	0
B-G	0.0	0.0	-0.0289	-0.0289	3	0	0	22	0	0	0
C-D	0.0	0.0	-47.7648	-47.7648	17	0	0	1280	0	2	1
C-E	0.0	0.0	-27.325	-27.325	18	0	0	869	0	3	3
D-E	-104.8782	-46.7975	92.8741	-58.8015	223	42	17	23894	5	53	41
F-G	-20.3871	-57.9139	-322.743	-401.0439	125	17	2	12836	3	43	40
F-H	-48.7054	-3.0797	-236.957	-288.7421	80	18	6	8734	0	8	3
F-I	0.0	-12.6673	-36.6327	-49.3	38	0	1	1763	2	13	13
F-J	0.0	-26.5144	-47.5274	-74.0418	38	1	0	2268	2	14	11
H-I	0.0	0.0	-48.6433	-48.6433	16	1	0	1327	0	2	1
H-J	-12.8129	0.0	-27.3928	-40.2057	20	1	0	865	0	1	3
I-J	-101.0335	-56.2223	227.107	69.8513	221	44	16	24144	8	55	39

Interface residues

• A-B: ALA117A, ALA125A, ALA15B, ALA236A, ALA246A, ALA24A, 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, HIS192A, HIS31B, HIS51B, HIS74A, HIS93A, ILE124A, ILE1B, ILE23A, 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, 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, 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, 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, TYR116A, TYR123A, TYR159A, TYR171A, TYR59A, TYR7A, TYR84A, TYR99A, VAL152A, VAL165A, VAL25A, VAL28A, VAL34A, VAL67A, VAL76A, VAL95A
• A-D: ALA158A, ALA29D, ALA69A, ARG157A, ARG170A, ARG65A, ARG92D, ASN27D, ASP61A, ASP94D, GLN155A, GLN31D, GLU154A, GLU161A, GLU166A, GLU58A, GLU63A, GLY162A, GLY62A, GLY93D, LEU160A, LYS2D, LYS66A, LYS67D, LYS98D, PRO57A, SER28D, SER52D, SER95D, SER96D, THR163A, THR64A, TRP167A, TRP60A, TYR159A, TYR32D, TYR49D, TYR51D, TYR59A, TYR97D
• A-E: ALA101E, ALA149A, ALA150A, ALA153A, ALA69A, ARG65A, ARG75A, ASN103E, ASN50E, ASN51E, ASP56E, ASP57E, ASP61A, GLN155A, GLN72A, GLU148A, GLU154A, GLU98E, HIS151A, ILE55E, LEU100E, LEU156A, LEU96E, LYS102E, LYS146A, LYS66A, LYS68A, LYS99E, PRO54E, SER58E, THR73A, TRP133A, TRP147A, TRP97E, TYR31E, TYR48E, VAL152A, VAL53E, VAL76A
• A-F: ALA136F, ALA139A, ALA139F, ALA140F, ALA90A, ALA90F, ARG219A, ARG219F, ARG256A, ARG256F, ARG82A, ASN86A, ASN86F, ASP119F, ASP137F, ASP196F, ASP220A, ASP220F, ASP223A, ASP227A, ASP227F, GLN141A, GLN141F, GLN224A, GLN226A, GLN226F, GLN87A, GLN87F, GLU198A, GLU198F, GLU222A, GLU89A, GLY83A, GLY83F, GLY91F, HIS197A, HIS197F, HIS93F, LYS121A, LYS121F, MET138A, MET138F, PRO250A, PRO250F, SER195A, SER195F, SER251F, SER88A, SER88F, SER92F, THR142A, THR142F, THR225A, THR228A, THR228F, TYR123F, TYR257A, TYR84A, TYR84F, TYR85A, TYR85F, VAL194F, VAL247A, VAL247F, VAL248F, VAL249A, VAL249F
• A-G: ALA136A, ALA139A, ASP137A, GLN141A, GLN2G, ILE1G, LYS121A, MET0G, MET138A, TYR85A
• B-F: LYS121F, MET0B
• B-G: ILE1B, ILE1G, MET0B
• C-D: ALA1C, ALA8C, ARG92D, ASP6C, ASP94D, GLN31D, GLY4C, GLY93D, LEU2C, LYS98D, PRO5C, PRO7C, SER95D, SER96D, TRP3C, TYR32D, TYR97D
• C-E: ALA101E, ALA8C, ALA9C, 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, ALA90D, ALA93E, ARG106D, ARG112E, ARG124D, ARG164D, ARG189E, ARG195E, ARG197E, ARG244E, ARG36E, ARG41D, ARG41E, ARG92D, ASN103E, ASN115D, ASN171D, ASN178D, ASN50E, ASP117D, ASP125D, ASP130D, ASP138D, 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, GLU131E, GLU134E, GLU136E, GLU158E, GLU181E, GLU240E, GLU44E, GLU45D, GLU98E, GLY102D, GLY104D, GLY108E, GLY110E, GLY151E, GLY171E, GLY243E, GLY42E, GLY43D, GLY59E, GLY93D, HIS10E, HIS139E, HIS156E, HIS169E, HIS209E, ILE100D, ILE104E, ILE137E, ILE155D, ILE47E, ILE55E, LEU100E, LEU108D, LEU123D, LEU135D, LEU145E, LEU148E, LEU159E, LEU161D, LEU179E, LEU192E, LEU196E, LEU43E, LEU45E, LEU46D, LEU46E, LEU88D, LEU96E, LEU99D, LYS102E, LYS127D, LYS131D, LYS142E, LYS158D, LYS169D, LYS180E, LYS2D, LYS42D, LYS56D, LYS98D, LYS99E, MET163D, MET166D, MET34D, MET39E, MET40E, MET48D, MET60E, MET91D, PHE101D, PHE107E, PHE130E, PHE136D, PHE139D, PHE152E, PHE168D, PHE198D, PHE199D, PHE202E, PHE210E, PHE33D, PHE33E, PHE49E, PHE91E, PRO116D, PRO118D, PRO132E, PRO154E, PRO176E, PRO178E, PRO183E, PRO200D, PRO44D, SER103D, SER114E, SER126D, SER128D, SER132D, SER133E, SER138E, SER151D, SER165D, SER170D, SER170E, SER172D, SER177D, SER188E, SER193E, SER194E, SER199E, SER201D, SER40D, SER58E, SER95D, SER95E, SER96D, THR137D, THR140E, THR144E, THR150E, THR156D, THR174E, THR197D, THR201E, THR50D, THR86D, TRP161E, TRP176D, TRP203E, TRP242E, TRP35D, TRP97E, TYR106E, TYR121D, TYR154D, TYR190E, TYR217E, TYR31E, TYR32D, TYR35E, TYR36D, TYR39D, TYR48E, TYR49D, TYR51D, TYR97D, VAL120D, VAL127E, VAL129E, VAL133D, VAL145D, VAL146E, VAL153D, VAL157E, VAL160D, VAL172E, VAL174D, VAL198E, VAL89E
• F-G: ALA117F, ALA125F, ALA15G, ALA236F, ALA246F, ALA24F, ARG111F, 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, GLU232F, GLU46F, 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, MET189F, MET98F, MET99G, PHE22F, PHE22G, PHE241F, PHE30G, PHE36F, PHE56G, PHE62G, PHE8F, PHE9F, PRO14G, PRO235F, PRO32G, SER11F, SER11G, SER207F, SER28G, SER33G, SER52G, SER55G, SER57G, SER61G, SER92F, THR10F, THR190F, THR200F, THR233F, THR240F, THR68G, THR94F, TRP204F, TRP244F, TRP60G, TRP95G, TYR10G, TYR113F, 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, ARG35F, ARG65F, ARG6F, ARG97F, ASP6H, ASP77F, CYS164F, GLN155F, GLN72F, GLU154F, GLU166F, GLU63F, GLY26F, GLY4H, GLY62F, HIS114F, HIS151F, HIS70F, HIS74F, ILE124F, ILE52F, 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, TYR123F, TYR159F, TYR171F, TYR59F, TYR7F, TYR84F, TYR99F, VAL152F, VAL25F, VAL28F, VAL34F, VAL67F, VAL76F, VAL95F
• F-I: ALA158F, ALA29I, ALA69F, ARG157F, ARG170F, ARG65F, ARG92I, ASN27I, ASP61F, ASP94I, CYS164F, GLN155F, GLN31I, GLU161F, GLU166F, GLU58F, GLU63F, GLY162F, GLY62F, GLY93I, LYS2I, LYS66F, LYS67I, LYS98I, PRO57F, SER28I, SER52I, SER95I, SER96I, THR163F, THR64F, TRP167F, TYR159F, TYR32I, TYR51I, TYR59F, TYR97I, VAL67F
• F-J: ALA101J, ALA149F, ALA150F, ALA153F, ALA69F, ARG65F, ARG75F, ASN103J, ASN50J, ASN51J, ASN52J, ASP56J, ASP57J, GLN155F, GLN72F, GLU154F, GLU98J, GLY59J, HIS151F, ILE55J, LEU100J, LEU156F, LEU96J, LYS102J, LYS146F, LYS68F, LYS99J, PRO54J, SER58J, THR73F, TRP133F, TRP147F, TRP97J, TYR31J, TYR48J, VAL152F, VAL53J, 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, PHE33J, PRO5H, PRO7H, TRP3H, TRP97J, TYR31J, TYR48J
• I-J: ALA101J, ALA109J, ALA119I, ALA128J, ALA135J, ALA143J, ALA149J, ALA173I, ALA175I, ALA184J, ALA191J, ALA200J, ALA239J, ALA241J, ALA90I, ALA93J, ARG106I, ARG112J, ARG124I, ARG164I, ARG189J, ARG195J, ARG197J, ARG244J, ARG41I, ARG41J, ARG92I, ASN103J, ASN115I, ASN171I, ASN178I, ASN50J, ASP117I, ASP125I, ASP130I, ASP138I, ASP150I, ASP152I, ASP155J, ASP157I, ASP162I, ASP167I, ASP175J, ASP56J, ASP57J, CYS134I, CYS147J, CYS159I, CYS173J, CYS89I, CYS92J, GLN105J, GLN122I, GLN141J, GLN147I, GLN177J, GLN182J, GLN31I, GLN37J, GLN38I, GLN6I, GLU131J, GLU134J, GLU136J, GLU158J, GLU181J, GLU240J, GLU44J, GLU45I, GLU98J, GLY102I, GLY104I, GLY108J, GLY110J, GLY151J, GLY171J, GLY42J, GLY43I, GLY59J, GLY93I, HIS10J, HIS139J, HIS156J, HIS169J, HIS209J, ILE100I, ILE104J, ILE137J, ILE155I, ILE47J, ILE55J, LEU100J, LEU108I, LEU123I, LEU135I, LEU145J, LEU148J, LEU161I, LEU179J, LEU185J, LEU192J, LEU196J, LEU43J, LEU45J, LEU46I, LEU46J, LEU88I, LEU96J, LEU99I, LYS102J, LYS127I, LYS131I, LYS142J, LYS149I, LYS158I, LYS169I, LYS180J, LYS2I, LYS42I, LYS98I, LYS99J, MET163I, MET166I, MET34I, MET39J, MET40J, MET48I, MET60J, MET91I, PHE101I, PHE107J, PHE130J, PHE136I, PHE139I, PHE152J, PHE168I, PHE198I, PHE199I, PHE202J, PHE33I, PHE33J, PHE49J, PHE91J, PRO118I, PRO132J, PRO154J, PRO176J, PRO178J, PRO183J, PRO200I, PRO202I, PRO44I, PRO8I, SER103I, SER126I, SER128I, SER129I, SER132I, SER133J, SER138J, SER148I, SER151I, SER165I, SER170I, SER170J, SER172I, SER177I, SER188J, SER193J, SER194J, SER199J, SER201I, SER238J, SER40I, SER52I, SER58J, SER84I, SER95I, SER95J, SER96I, THR137I, THR140J, THR144J, THR150J, THR156I, THR174J, THR201J, THR50I, THR86I, TRP176I, TRP203J, TRP242J, TRP97J, TYR106J, TYR121I, TYR154I, TYR190J, TYR217J, TYR31J, TYR32I, TYR35J, TYR36I, TYR39I, TYR48J, TYR49I, TYR51I, TYR97I, VAL120I, VAL127J, VAL129J, VAL133I, VAL145I, VAL146J, VAL153I, VAL157J, VAL160I, VAL172J, VAL174I, VAL198J, VAL4I, VAL89J