3VH8

kir3dl1 in complex with hla-b*5701

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 129
  • Norm. En. per Res.: -4.8569
• Hub Node: A(3)

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	-64.4381	-135.8789	-398.398	-598.7151	128	11	2	13617	7	48	42
A-C	-41.5717	-18.5256	-274.233	-334.3304	92	11	6	9640	2	4	8
A-G	-38.714	-64.3916	-229.765	-332.8707	94	13	3	8851	6	33	39
B-G	0.0	-18.1951	-3.5636	-21.7587	7	0	0	131	1	11	4
C-G	0.0	0.0	-4.2013	-4.2013	12	0	0	289	0	1	0
G-D	-4.3237	10.5014	-56.9254	-50.7477	25	1	0	2391	0	9	9
G-H	-6.7324	-3.1273	-20.5911	-30.4508	19	1	0	768	0	4	1
D-E	-73.4929	-143.2533	-409.788	-626.5342	129	14	2	13712	8	49	42
D-F	-46.4732	-17.9151	-278.205	-342.5933	94	8	6	9609	2	4	8
D-H	-40.1321	-60.7098	-225.804	-326.6459	94	10	3	8776	6	33	39
E-H	0.0	-17.7799	-3.9453	-21.7252	8	0	0	136	1	11	5
F-H	0.0	0.0	-3.9739	-3.9739	12	0	0	298	0	1	0

Interface residues

• A-B: ALA117A, ALA11A, ALA125A, ALA15B, ALA236A, ALA246A, ALA24A, ALA46A, ARG12B, ARG14A, ARG17A, ARG202A, ARG21A, ARG234A, ARG239A, ARG35A, ARG3B, ARG48A, ARG6A, ARG97B, ASN24B, ASP102A, ASP114A, ASP119A, ASP122A, ASP238A, ASP30A, ASP34B, ASP37A, ASP53B, ASP59B, ASP96B, ASP98B, CYS25B, GLN115A, GLN242A, GLN2B, GLN32A, GLN8B, GLN96A, GLU229A, GLU232A, GLU50B, GLY120A, GLY207A, GLY237A, GLY26A, GLY29B, HIS113A, HIS13B, HIS188A, HIS191A, HIS192A, HIS31B, HIS51B, HIS84B, HIS93A, ILE124A, ILE1B, ILE23A, ILE35B, ILE7B, ILE94A, ILE95A, LEU206A, LEU230A, LEU23B, LEU54B, LEU64B, LEU65B, LYS121A, LYS186A, LYS243A, LYS58B, LYS6B, MET12A, MET98A, MET99B, PHE22A, PHE22B, PHE241A, PHE30B, PHE36A, PHE56B, PHE62B, PHE8A, PRO14B, PRO235A, PRO32B, PRO47A, SER116A, SER11B, SER13A, SER28B, SER33B, SER4A, SER52B, SER55B, SER57B, SER61B, SER92A, THR10A, THR190A, THR200A, THR233A, THR240A, TRP204A, TRP244A, TRP60B, TRP95B, TYR10B, TYR118A, TYR123A, TYR26B, TYR27A, TYR63B, TYR66B, TYR67B, TYR7A, TYR99A, TYR9A, VAL231A, VAL25A, VAL27B, VAL34A, VAL85B, VAL97A, VAL9B
• A-C: ALA117A, ALA125A, ALA139A, ALA140A, ALA150A, ALA153A, ALA158A, ALA24A, ALA69A, ALA81A, ARG151A, ARG157A, ARG170A, ARG65A, ARG6A, ARG79A, ARG83A, ASN66A, ASN77A, ASP114A, ASP119A, CYS164A, GLN115A, GLN144A, GLN155A, GLN96A, GLU154A, GLU166A, GLU55A, GLU58A, GLU63A, GLU76A, GLY100A, GLY26A, GLY62A, HIS113A, ILE124A, ILE142A, ILE52A, ILE80A, ILE94A, ILE95A, LEU126A, LEU156A, LEU160A, LEU163A, LEU168A, LEU1C, LEU78A, LEU82A, LYS146A, LYS68A, LYS7C, MET45A, MET5A, MET67A, PHE22A, PHE33A, PHE36A, PHE9C, PRO4C, SER116A, SER2C, SER3C, SER70A, SER8C, THR143A, THR64A, THR6C, THR73A, TRP133A, TRP147A, TRP167A, TRP51A, TRP60A, TYR118A, TYR123A, TYR159A, TYR171A, TYR59A, TYR74A, TYR7A, TYR84A, TYR85A, TYR99A, TYR9A, VAL152A, VAL165A, VAL28A, VAL34A, VAL5C, VAL97A
• A-G: ALA12G, ALA139A, ALA149A, ALA150A, ALA167G, ALA169G, ALA247G, ALA69A, ALA81A, ALA90A, ARG145A, ARG14A, ARG151A, ARG17A, ARG226G, ARG249G, ARG277G, ARG27G, ARG33G, ARG75A, ARG79A, ARG83A, ASN77A, ASN86A, ASN90G, ASP230G, ASP285G, CYS28G, GLN141A, GLN144A, GLN155A, GLN72A, GLU137G, GLU148A, GLU19A, GLU201G, GLU282G, GLU76A, GLU89A, GLY138G, GLY16A, GLY18A, GLY198G, GLY91A, HIS135G, HIS278G, HIS29G, HIS32G, ILE139G, ILE142A, ILE80A, LEU10G, LEU166G, LEU168G, LEU82A, LYS136G, LYS141G, LYS146A, LYS202G, MET165G, MET231G, PHE255G, PHE276G, PHE34G, PHE9G, PRO14G, PRO15A, PRO163G, PRO199G, PRO20A, PRO280G, PRO8G, SER11G, SER140G, SER225G, SER227G, SER228G, SER275G, SER279G, SER284G, SER88A, THR138A, THR143A, THR73A, TRP13G, TRP147A, TYR200G, TYR229G, TYR281G, TYR30G, TYR84A, TYR85A, VAL152A, VAL92G
• B-G: ASN83B, ASP34B, GLU36B, HIS32G, HIS84B, ILE35B, VAL85B
• C-G: ALA167G, GLU282G, LEU166G, MET165G, PHE276G, PHE9C, PRO199G, SER115G, SER279G, SER8C, THR6C, TYR200G
• G-D: ALA41D, ARG249G, ARG253G, ARG44D, ARG65D, ASN252G, ASN66D, ASP61D, GLU58D, GLU63D, GLY56D, GLY62D, LYS250G, LYS68D, MET45D, PHE255G, PHE36D, PRO43D, PRO57D, SER42D, THR254G, THR64D, TRP60D, VAL248G, VAL251G
• G-H: ALA157H, ALA215G, ARG145H, ARG243G, ASN158H, GLN149H, GLN214G, GLU217G, GLY216G, HIS151H, ILE150H, LEU146H, LEU261G, LYS156H, PRO260G, SER218G, THR220G, VAL147H, VAL219G
• D-E: ALA117D, ALA11D, ALA125D, ALA15E, ALA236D, ALA246D, ALA24D, ALA46D, ARG12E, ARG14D, ARG17D, ARG202D, ARG21D, ARG234D, ARG239D, ARG35D, ARG3E, ARG48D, ARG6D, ARG97E, ASN21E, ASN24E, ASP114D, ASP119D, ASP122D, ASP238D, ASP29D, ASP30D, ASP34E, ASP37D, ASP53E, ASP59E, ASP96E, ASP98E, CYS25E, GLN115D, GLN242D, GLN2E, GLN32D, GLN87D, GLN8E, GLN96D, GLU229D, GLU232D, GLU50E, GLY120D, GLY207D, GLY237D, GLY26D, GLY29E, HIS113D, HIS13E, HIS188D, HIS191D, HIS192D, HIS31E, HIS51E, HIS84E, HIS93D, ILE124D, ILE1E, ILE23D, ILE35E, ILE7E, ILE94D, ILE95D, LEU206D, LEU230D, LEU54E, LEU64E, LEU65E, LYS121D, LYS186D, LYS243D, LYS58E, LYS6E, MET12D, MET98D, MET99E, PHE22D, PHE22E, PHE241D, PHE30E, PHE36D, PHE56E, PHE62E, PHE8D, PRO14E, PRO235D, PRO32E, PRO47D, SER116D, SER11E, SER13D, SER28E, SER33E, SER4D, SER52E, SER55E, SER57E, SER61E, SER92D, THR10D, THR190D, THR200D, THR233D, THR240D, TRP204D, TRP244D, TRP60E, TRP95E, TYR10E, TYR118D, TYR123D, TYR26E, TYR27D, TYR63E, TYR66E, TYR67E, TYR7D, TYR99D, TYR9D, VAL231D, VAL25D, VAL27E, VAL34D, VAL85E, VAL97D, VAL9E
• D-F: ALA117D, ALA125D, ALA139D, ALA140D, ALA150D, ALA153D, ALA158D, ALA24D, ALA69D, ALA81D, ARG151D, ARG157D, ARG170D, ARG65D, ARG6D, ARG79D, ARG83D, ASN66D, ASN77D, ASP114D, ASP119D, CYS164D, GLN115D, GLN144D, GLN155D, GLN96D, GLU154D, GLU166D, GLU55D, GLU58D, GLU63D, GLU76D, GLY100D, GLY26D, GLY62D, HIS113D, ILE124D, ILE142D, ILE52D, ILE80D, ILE94D, ILE95D, LEU126D, LEU156D, LEU160D, LEU163D, LEU168D, LEU1F, LEU78D, LEU82D, LYS146D, LYS68D, LYS7F, MET45D, MET5D, MET67D, MET98D, PHE22D, PHE33D, PHE36D, PHE9F, PRO4F, SER116D, SER2F, SER3F, SER70D, SER8F, THR143D, THR64D, THR6F, THR73D, TRP133D, TRP147D, TRP167D, TRP51D, TRP60D, TYR118D, TYR123D, TYR159D, TYR171D, TYR59D, TYR74D, TYR7D, TYR84D, TYR85D, TYR99D, TYR9D, VAL152D, VAL165D, VAL25D, VAL28D, VAL34D, VAL5F, VAL97D
• D-H: ALA12H, ALA139D, ALA149D, ALA150D, ALA167H, ALA169H, ALA247H, ALA69D, ALA81D, ALA90D, ARG145D, ARG14D, ARG151D, ARG17D, ARG226H, ARG249H, ARG277H, ARG27H, ARG33H, ARG75D, ARG79D, ARG83D, ASN77D, ASN86D, ASN90H, ASP142H, ASP230H, ASP285H, CYS28H, GLN141D, GLN144D, GLN155D, GLN72D, GLU137H, GLU148D, GLU19D, GLU201H, GLU282H, GLU76D, GLU89D, GLY138H, GLY16D, GLY18D, GLY198H, GLY91D, HIS278H, HIS29H, HIS32H, ILE139H, ILE142D, ILE80D, LEU10H, LEU166H, LEU168H, LEU82D, LYS136H, LYS141H, LYS146D, LYS202H, MET165H, MET231H, PHE255H, PHE276H, PHE34H, PHE9H, PRO14H, PRO15D, PRO199H, PRO20D, PRO280H, PRO8H, SER11H, SER140H, SER225H, SER227H, SER228H, SER275H, SER279H, SER284H, SER88D, THR138D, THR143D, THR73D, TRP13H, TRP147D, TYR200H, TYR229H, TYR281H, TYR30H, TYR74D, TYR84D, TYR85D, VAL152D, VAL92H
• E-H: ARG31H, ARG45E, ASN83E, ASP34E, GLU36E, HIS32H, ILE35E, VAL37E
• F-H: ALA167H, GLU282H, LEU166H, MET165H, PHE276H, PHE9F, PRO199H, SER115H, SER279H, SER8F, THR6F, TYR200H