2B6E

x-ray crystal structure of protein hi1161 from haemophilus influenzae. northeast structural genomics consortium target ir63.

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 122
  • Norm. En. per Res.: -3.8909
• 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	-97.247	-33.9815	-343.467	-474.6955	122	22	12	13223	7	14	22
A-C	0.0	25.5351	-32.0633	-6.5282	37	0	2	2031	0	2	4
A-D	-26.1134	17.3402	-129.878	-138.6512	66	14	5	5767	0	6	7
B-C	-27.0661	17.1571	-139.053	-148.962	67	7	5	5846	0	6	7
B-D	-4.881	56.3653	-47.6151	3.8691	42	4	2	2570	0	3	9
C-D	-88.3443	-33.4834	-329.663	-451.4907	125	20	12	12929	8	14	26
D-F	0.0	35.3318	-49.5709	-14.2391	37	3	0	2048	0	9	13
E-F	-98.8912	-33.8416	-346.399	-479.1318	126	23	12	13364	6	14	22
E-G	-25.6923	17.8187	-132.609	-140.4826	66	11	5	5721	0	6	7
E-H	0.0	29.0546	-31.2779	-2.2233	33	1	2	1897	0	2	4
F-G	0.0	22.5437	-31.2464	-8.7027	32	0	2	1954	0	2	3
F-H	-22.0491	20.4642	-132.968	-134.5529	66	3	7	5763	0	6	8
G-H	-95.5874	-39.2939	-330.084	-464.9653	127	20	12	13202	7	14	22

Interface residues

• A-B: ALA20A, ALA20B, ALA60A, ALA60B, ALA62A, ALA62B, ALA87A, ALA87B, ARG130A, ARG130B, ARG45A, ARG45B, ARG91A, ARG91B, ASN13B, ASN18A, ASN18B, ASN86A, ASN86B, ASN88A, ASN88B, ASP43A, ASP43B, ASP84A, ASP84B, CYS127A, CYS127B, CYS16A, CYS16B, GLN14A, GLN14B, GLN48A, GLN48B, GLU63A, GLU63B, GLY25A, GLY25B, GLY51A, GLY51B, GLY55A, GLY55B, GLY56A, GLY56B, GLY82A, GLY82B, HIS23A, HIS23B, HIS44A, HIS44B, HIS54A, HIS54B, HIS89A, HIS89B, ILE136B, ILE26A, ILE26B, ILE65A, ILE65B, ILE85A, ILE85B, LEU12A, LEU12B, LEU131A, LEU131B, LEU133A, LEU133B, LEU15A, LEU15B, LEU24A, LEU24B, LEU53A, LEU53B, LEU61A, LEU61B, LEU68A, LEU68B, LEU83A, LEU83B, LEU90A, LEU90B, PHE50A, PHE50B, PRO49A, PRO49B, PRO92A, PRO92B, SER129A, SER129B, SER17A, SER17B, SER19A, SER19B, SER22A, SER22B, SER58A, SER58B, SER67A, SER67B, SER71A, SER71B, THR132A, THR132B, THR46A, THR46B, THR64A, THR64B, THR79A, THR79B, VAL128A, VAL128B, VAL21A, VAL21B, VAL52A, VAL52B, VAL57A, VAL57B, VAL59A, VAL59B, VAL80A, VAL80B, VAL81A, VAL81B
• A-C: ARG109A, ARG130A, ARG130C, ASN110A, ASN110C, ASN137A, ASN137C, ASN86A, ASN86C, ASP84A, ASP84C, GLN112A, GLN112C, GLY82A, ILE111A, ILE111C, ILE136A, ILE136C, ILE85A, ILE85C, LEU131A, LEU131C, LEU133A, LEU133C, LEU139C, LEU83A, LEU83C, SER134A, SER134C, THR132A, THR132C, VAL113A, VAL113C, VAL135A, VAL135C, VAL81A, VAL81C
• A-D: ALA87A, ALA87D, ARG119D, ARG130A, ARG130D, ARG91A, ARG91D, ASN106A, ASN106D, ASN86A, ASN86D, ASN88A, ASN88D, ASP117A, ASP117D, ASP84A, ASP84D, CYS126A, CYS126D, CYS127A, CYS127D, GLN112A, GLN112D, GLN115A, GLN115D, GLY108A, GLY108D, HIS89A, HIS89D, ILE105A, ILE105D, ILE111A, ILE111D, ILE116A, ILE116D, ILE85A, ILE85D, LEU107A, LEU107D, LEU125A, LEU125D, LEU131A, LEU131D, LEU133A, LEU133D, LEU83A, LEU83D, LEU90A, LEU90D, LYS124A, LYS124D, PRO104A, PRO104D, PRO92D, SER129A, SER129D, THR132A, THR132D, TRP114A, TRP114D, VAL113A, VAL113D, VAL128A, VAL128D, VAL59A, VAL59D
• B-C: ALA87B, ALA87C, ARG119B, ARG119C, ARG130B, ARG130C, ARG91B, ARG91C, ASN106B, ASN106C, ASN86B, ASN86C, ASN88B, ASN88C, ASP117B, ASP117C, ASP84B, ASP84C, CYS126B, CYS126C, CYS127B, CYS127C, GLN112B, GLN112C, GLN115B, GLN115C, GLY108B, GLY108C, HIS89B, HIS89C, ILE105B, ILE105C, ILE111B, ILE111C, ILE116B, ILE116C, ILE85B, ILE85C, LEU107B, LEU107C, LEU125B, LEU125C, LEU131B, LEU131C, LEU133B, LEU133C, LEU83B, LEU83C, LEU90B, LEU90C, LYS124B, LYS124C, PRO104B, PRO104C, PRO92C, SER129B, SER129C, THR132B, THR132C, TRP114B, TRP114C, VAL113B, VAL113C, VAL128B, VAL128C, VAL59B, VAL59C
• B-D: ARG109B, ARG130B, ARG130D, ASN110B, ASN110D, ASN137B, ASN137D, ASN86B, ASN86D, ASP84B, ASP84D, GLN112B, GLN112D, GLU140D, GLY82B, HIS141D, HIS142D, HIS143D, HIS144D, HIS145D, HIS146D, ILE111B, ILE111D, ILE136B, ILE136D, ILE85B, ILE85D, LEU131D, LEU133B, LEU133D, LEU83B, LEU83D, SER134B, SER134D, THR132B, THR132D, VAL113B, VAL113D, VAL135B, VAL135D, VAL81B, VAL81D
• C-D: ALA20C, ALA20D, ALA60C, ALA60D, ALA62C, ALA62D, ALA87C, ALA87D, ARG130C, ARG130D, ARG45C, ARG45D, ARG91C, ARG91D, ARG94C, ASN13C, ASN13D, ASN18C, ASN18D, ASN86C, ASN86D, ASN88C, ASN88D, ASP43C, ASP43D, ASP84C, ASP84D, CYS127C, CYS127D, CYS16C, CYS16D, GLN14C, GLN14D, GLN48C, GLN48D, GLU63C, GLU63D, GLY25C, GLY25D, GLY51C, GLY51D, GLY55C, GLY55D, GLY56C, GLY56D, GLY82C, GLY82D, HIS141D, HIS145D, HIS23C, HIS23D, HIS44C, HIS44D, HIS54C, HIS54D, HIS89C, HIS89D, ILE26C, ILE26D, ILE65C, ILE65D, ILE85C, ILE85D, LEU12C, LEU12D, LEU131C, LEU131D, LEU133C, LEU133D, LEU15C, LEU15D, LEU24C, LEU24D, LEU53C, LEU53D, LEU61C, LEU61D, LEU68C, LEU68D, LEU83C, LEU83D, LEU90C, LEU90D, PHE50C, PHE50D, PRO49C, PRO49D, PRO92C, PRO92D, SER129C, SER129D, SER17C, SER17D, SER19C, SER19D, SER22C, SER22D, SER58C, SER58D, SER67C, SER67D, SER71C, SER71D, THR132C, THR132D, THR46C, THR46D, THR64C, THR64D, THR79C, THR79D, VAL128C, VAL128D, VAL21C, VAL21D, VAL52C, VAL52D, VAL57C, VAL57D, VAL59C, VAL59D, VAL80C, VAL80D, VAL81C, VAL81D
• D-F: ALA30D, ALA30F, ASN11D, ASP34D, ASP34F, GLU10D, GLU10F, GLU33D, GLU33F, GLU75D, GLU75F, GLU76D, GLU76F, GLY32D, GLY32F, LEU2D, LEU2F, LEU74D, LEU9D, LEU9F, LYS4D, LYS4F, LYS5D, LYS5F, PHE31D, PHE31F, PHE7D, PHE7F, SER29F, THR6D, THR6F, THR8D, THR8F, TRP35D, TRP35F, TRP3D, TRP3F
• E-F: ALA20E, ALA20F, ALA60E, ALA60F, ALA62E, ALA62F, ALA87E, ALA87F, ARG130E, ARG130F, ARG45E, ARG45F, ARG91E, ARG91F, ASN13E, ASN13F, ASN18E, ASN18F, ASN86E, ASN86F, ASN88E, ASN88F, ASP43E, ASP43F, ASP84E, ASP84F, CYS127E, CYS127F, CYS16E, CYS16F, GLN14E, GLN14F, GLN48E, GLN48F, GLU63E, GLU63F, GLY25E, GLY25F, GLY51E, GLY51F, GLY55E, GLY55F, GLY56E, GLY56F, GLY66E, GLY66F, GLY82E, GLY82F, HIS23E, HIS23F, HIS44E, HIS44F, HIS54E, HIS54F, HIS89E, HIS89F, ILE136E, ILE26E, ILE26F, ILE28F, ILE65E, ILE65F, ILE85E, ILE85F, LEU12E, LEU12F, LEU131E, LEU131F, LEU133E, LEU133F, LEU15E, LEU15F, LEU24E, LEU24F, LEU53E, LEU53F, LEU61E, LEU61F, LEU68E, LEU68F, LEU83E, LEU83F, LEU90E, LEU90F, PHE50E, PHE50F, PRO49E, PRO49F, PRO92E, PRO92F, SER129E, SER129F, SER17E, SER17F, SER19E, SER19F, SER22E, SER22F, SER58E, SER58F, SER67E, SER67F, SER71E, SER71F, THR132E, THR132F, THR46E, THR46F, THR64E, THR64F, THR79E, THR79F, VAL128E, VAL128F, VAL21E, VAL21F, VAL52E, VAL52F, VAL57E, VAL57F, VAL59E, VAL59F, VAL80E, VAL80F, VAL81E, VAL81F
• E-G: ALA87E, ALA87G, ARG119E, ARG130E, ARG130G, ARG91E, ARG91G, ASN106E, ASN106G, ASN86E, ASN86G, ASN88E, ASN88G, ASP117E, ASP117G, ASP84E, ASP84G, CYS126E, CYS126G, CYS127E, CYS127G, GLN112E, GLN112G, GLN115E, GLN115G, GLY108E, GLY108G, HIS89E, HIS89G, ILE105E, ILE105G, ILE111E, ILE111G, ILE116E, ILE116G, ILE85E, ILE85G, LEU107E, LEU107G, LEU125E, LEU125G, LEU131E, LEU131G, LEU133E, LEU133G, LEU83E, LEU83G, LEU90E, LEU90G, LYS124E, LYS124G, PRO104E, PRO104G, PRO92G, SER129E, SER129G, THR132E, THR132G, TRP114E, TRP114G, VAL113E, VAL113G, VAL128E, VAL128G, VAL59E, VAL59G
• E-H: ARG109H, ARG130E, ARG130H, ASN110E, ASN110H, ASN137E, ASN137H, ASN86E, ASN86H, ASP84E, ASP84H, GLN112E, GLN112H, ILE111E, ILE111H, ILE136E, ILE136H, ILE85E, ILE85H, LEU133E, LEU133H, LEU83E, LEU83H, SER134E, SER134H, THR132E, THR132H, VAL113E, VAL113H, VAL135E, VAL135H, VAL81E, VAL81H
• F-G: ARG130F, ARG130G, ASN110F, ASN110G, ASN86F, ASN86G, ASP84F, ASP84G, GLN112F, GLN112G, GLY82F, GLY82G, ILE111F, ILE111G, ILE136F, ILE136G, ILE85F, ILE85G, LEU133F, LEU133G, LEU83F, LEU83G, SER134F, SER134G, THR132F, THR132G, VAL113F, VAL113G, VAL135F, VAL135G, VAL81F, VAL81G
• F-H: ALA87F, ALA87H, ARG119F, ARG119H, ARG130F, ARG130H, ARG91F, ARG91H, ASN106F, ASN106H, ASN86F, ASN86H, ASN88F, ASN88H, ASP117F, ASP117H, ASP84F, ASP84H, CYS126F, CYS126H, CYS127F, CYS127H, GLN112F, GLN112H, GLN115F, GLN115H, GLY108F, GLY108H, HIS89F, HIS89H, ILE105F, ILE105H, ILE111F, ILE111H, ILE116F, ILE116H, ILE85F, ILE85H, LEU107F, LEU107H, LEU125F, LEU125H, LEU131F, LEU131H, LEU133F, LEU133H, LEU83F, LEU83H, LEU90F, LEU90H, LYS124F, LYS124H, PRO104F, PRO104H, PRO92F, SER129F, SER129H, THR132F, THR132H, TRP114F, TRP114H, VAL113F, VAL113H, VAL128F, VAL128H, VAL59H
• G-H: ALA20G, ALA20H, ALA60G, ALA60H, ALA62G, ALA62H, ALA87G, ALA87H, ARG130G, ARG130H, ARG45G, ARG45H, ARG91G, ARG91H, ASN13H, ASN18G, ASN18H, ASN86G, ASN86H, ASN88G, ASN88H, ASP43G, ASP43H, ASP84G, ASP84H, CYS127G, CYS127H, CYS16G, CYS16H, GLN14G, GLN14H, GLN48G, GLN48H, GLU63G, GLU63H, GLY25G, GLY25H, GLY51G, GLY51H, GLY55G, GLY55H, GLY56G, GLY56H, GLY66G, GLY66H, GLY82G, GLY82H, HIS23G, HIS23H, HIS44G, HIS44H, HIS54G, HIS54H, HIS89G, HIS89H, ILE136H, ILE26G, ILE26H, ILE28H, ILE65G, ILE65H, ILE85G, ILE85H, LEU12G, LEU12H, LEU131G, LEU131H, LEU133G, LEU133H, LEU15G, LEU15H, LEU24G, LEU24H, LEU53G, LEU53H, LEU61G, LEU61H, LEU68G, LEU68H, LEU83G, LEU83H, LEU90G, LEU90H, LYS5H, LYS78H, PHE50G, PHE50H, PRO49G, PRO49H, PRO92G, PRO92H, SER129G, SER129H, SER17G, SER17H, SER19G, SER19H, SER22G, SER22H, SER58G, SER58H, SER67G, SER67H, SER71G, SER71H, THR132G, THR132H, THR46G, THR46H, THR64G, THR64H, THR79G, THR79H, VAL128G, VAL128H, VAL21G, VAL21H, VAL52G, VAL52H, VAL57G, VAL57H, VAL59G, VAL59H, VAL80G, VAL80H, VAL81G, VAL81H