2C57

h.pylori type ii dehydroquinase in complex with fa1

• Total interactions analyzed: 66
• Total true interactions: 30
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 62
  • Norm. En. per Res.: -3.4036
• 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	-29.196	-27.4083	-147.945	-204.5494	62	9	4	5735	3	5	10
A-C	-24.1576	11.6471	-166.027	-178.5375	66	8	4	6238	3	10	12
A-G	-86.6623	0.0	-279.756	-366.4183	112	20	7	10834	0	6	8
A-I	0.0	3.4295	-0.0548	3.3747	5	0	0	21	0	4	4
A-K	0.0	3.7023	-0.0944	3.6078	5	0	0	26	0	5	4
B-C	-20.5749	11.2502	-159.531	-168.8557	61	5	4	5972	3	8	12
B-F	0.0	3.5051	-0.022	3.4832	4	0	0	14	0	4	4
B-J	0.0	3.7096	-0.0839	3.6257	5	0	0	25	0	5	4
B-K	-83.4207	0.0	-250.293	-333.7137	109	14	7	10050	0	6	7
C-E	0.0	3.6013	-0.0194	3.5819	4	0	0	13	0	4	4
C-F	-90.5984	0.0	-258.854	-349.4524	106	15	7	10352	0	6	9
C-G	0.0	3.4918	-0.0348	3.457	5	0	0	14	0	4	4
D-E	-34.3966	-28.1898	-148.436	-211.0224	62	12	4	5772	3	5	10
D-F	-23.0018	12.0161	-167.677	-178.6627	65	7	4	6321	3	10	12
D-H	0.0	3.7833	-0.1	3.6833	5	0	0	27	0	5	4
D-J	-85.2854	0.0	-277.291	-362.5764	113	16	7	10736	0	6	8
D-L	0.0	3.4447	-0.0495	3.3952	5	0	0	16	0	4	4
E-F	-22.4162	11.566	-162.788	-173.6382	62	5	4	6031	3	9	12
E-G	0.0	3.6765	-0.0841	3.5924	5	0	0	25	0	4	4
E-H	-79.1641	0.0	-249.735	-328.8991	106	12	7	10029	0	6	7
F-J	0.0	3.4728	-0.0394	3.4334	5	0	0	17	0	4	4
G-H	-32.6207	11.3989	-148.379	-169.6008	61	9	4	5716	3	5	10
G-I	-25.1128	11.6495	-165.151	-178.6142	67	8	4	6208	3	10	12
H-I	-19.8216	11.1152	-159.411	-168.1174	62	4	4	5966	3	9	12
H-L	0.0	3.6081	-0.0251	3.583	4	0	0	16	0	4	4
I-K	0.0	2.4911	-0.026	2.4651	4	0	0	16	0	4	4
I-L	-94.9447	0.0	-264.598	-359.5427	107	18	7	10429	0	6	9
J-K	-34.7203	11.5666	-150.56	-173.7137	61	11	4	5745	3	5	10
J-L	-25.4874	12.1286	-164.518	-177.8769	65	9	4	6293	3	10	12
K-L	-19.2092	11.5251	-158.94	-166.6241	62	4	4	5950	3	9	12

Interface residues

• A-B: ALA120B, ALA121B, ALA79A, ALA86B, ALA88B, ALA90B, ALA94B, ARG109A, ARG113A, ASN10A, ASN115A, ASN115B, ASN12A, ASN53A, ASP60B, ASP89B, GLN51A, GLN63B, GLU110A, GLU111A, GLU55A, GLU55B, GLU57A, GLU57B, GLU64B, GLY-18A, GLY15A, GLY56A, GLY56B, GLY67B, GLY78A, GLY8A, HIS82A, ILE58B, ILE59B, ILE62B, ILE85B, ILE87B, ILE91B, LEU11A, LEU14A, LEU93B, LYS114A, LYS61B, MET13A, MET92B, PHE112A, PHE50B, PHE54A, PHE54B, PHE80A, PRO77A, PRO9A, SER81A, SER84A, SER84B, THR52A, THR52B, THR83A, THR83B, TYR117B, VAL66B
• A-C: ALA120A, ALA121A, ALA79C, ALA86A, ALA88A, ALA90A, ALA94A, ARG109C, ARG113C, ARG17C, ASN10C, ASN115A, ASN12C, ASN53A, ASN53C, ASP60A, ASP89A, GLN51C, GLN63A, GLU110C, GLU111C, GLU55A, GLU55C, GLU57A, GLU57C, GLU64A, GLY-18A, GLY15C, GLY56A, GLY56C, GLY67A, GLY78C, GLY8C, GLY95A, HIS16C, HIS82A, HIS82C, ILE58A, ILE59A, ILE62A, ILE85A, ILE87A, ILE91A, LEU11C, LEU14C, LEU93A, LYS61A, MET13C, MET92A, PHE112C, PHE50A, PHE54A, PHE54C, PHE80C, PRO77C, PRO9C, SER65A, SER81C, SER84A, SER84C, THR52A, THR52C, THR83A, THR83C, TYR117A, VAL66A
• A-G: ALA108A, ALA108G, ALA120A, ALA120G, ALA121A, ALA121G, ALA137A, ALA137G, ALA140A, ALA140G, ARG109A, ARG109G, ARG113A, ARG113G, ASN105A, ASN105G, ASN115A, ASN115G, ASN135A, ASN135G, ASN143A, ASN143G, CYS122A, CYS122G, GLN107A, GLN107G, GLN40A, GLN40G, GLU100A, GLU100G, GLU111A, GLU111G, GLU147A, GLU147G, GLY119A, GLY119G, GLY123A, GLY123G, GLY124A, GLY124G, GLY128A, GLY128G, GLY130A, GLY130G, GLY133A, GLY133G, HIS102A, HIS102G, HIS82A, HIS82G, ILE106A, ILE106G, ILE126A, ILE126G, ILE144A, ILE144G, ILE74A, ILE74G, ILE99A, ILE99G, LEU103A, LEU103G, LEU132A, LEU132G, LEU138A, LEU138G, LEU145A, LEU145G, LYS114A, LYS114G, MET127A, MET127G, MET136A, MET136G, MET139A, MET139G, MET141A, MET141G, MET24A, MET24G, PHE129A, PHE129G, PHE151A, PHE151G, PHE37A, PHE37G, PRO131A, PRO131G, PRO97A, PRO97G, SER116A, SER116G, SER81A, SER81G, THR104A, THR104G, THR118A, THR118G, TYR117A, TYR117G, TYR134A, TYR134G, VAL101A, VAL101G, VAL125A, VAL125G, VAL142A, VAL142G, VAL25A, VAL25G, VAL98A, VAL98G
• A-I: GLU110I, GLU111A, GLU111I, LYS114A, PHE112I
• A-K: GLU110A, GLU111A, GLU111K, LYS114K, PHE112A
• B-C: ALA120C, ALA79B, ALA86C, ALA88C, ALA90C, ALA94C, ARG109B, ARG113B, ARG17B, ASN10B, ASN115C, ASN12B, ASN53B, ASN53C, ASP60C, ASP89C, GLN51B, GLN63C, GLU110B, GLU111B, GLU55B, GLU55C, GLU57B, GLU57C, GLU64C, GLY15B, GLY56B, GLY56C, GLY78B, GLY8B, GLY95C, HIS16B, HIS82B, ILE58C, ILE59C, ILE62C, ILE85C, ILE87C, ILE91C, LEU11B, LEU14B, LEU93C, LYS61C, MET13B, MET92C, PHE112B, PHE50C, PHE54B, PHE54C, PHE80B, PRO77B, PRO9B, SER81B, SER84B, SER84C, THR52B, THR52C, THR83B, THR83C, TYR117C, VAL66C
• B-F: GLU111B, GLU111F, LYS114F, PHE112B
• B-J: GLU110J, GLU111B, GLU111J, LYS114B, PHE112J
• B-K: ALA108B, ALA108K, ALA120B, ALA120K, ALA121B, ALA121K, ALA137B, ALA137K, ALA140B, ALA140K, ALA146K, ARG109B, ARG109K, ARG113B, ARG113K, ASN105B, ASN105K, ASN115B, ASN115K, ASN135B, ASN135K, ASN143B, ASN143K, CYS122B, CYS122K, GLN107B, GLN107K, GLN40B, GLN40K, GLU100B, GLU100K, GLU111B, GLU111K, GLU147B, GLU147K, GLY119B, GLY119K, GLY123B, GLY123K, GLY124B, GLY124K, GLY128B, GLY128K, GLY130B, GLY130K, GLY133B, GLY133K, HIS102B, HIS102K, HIS82B, HIS82K, ILE106B, ILE106K, ILE126B, ILE126K, ILE144B, ILE144K, ILE74B, ILE74K, ILE99B, ILE99K, LEU103B, LEU103K, LEU132B, LEU132K, LEU138B, LEU138K, LEU145B, LEU145K, LEU43B, LEU43K, LYS114B, LYS114K, MET127B, MET127K, MET136B, MET136K, MET139B, MET139K, MET141B, MET141K, PHE129B, PHE129K, PHE37B, PHE37K, PRO131B, PRO131K, PRO97B, PRO97K, SER116B, SER116K, SER81B, SER81K, THR104B, THR104K, THR118B, THR118K, TYR117B, TYR117K, TYR134B, TYR134K, VAL101B, VAL101K, VAL125B, VAL125K, VAL142B, VAL142K, VAL98B, VAL98K
• C-E: GLU111C, GLU111E, LYS114C, PHE112E
• C-F: ALA108C, ALA108F, ALA120C, ALA120F, ALA121C, ALA121F, ALA137C, ALA137F, ALA140C, ALA140F, ARG109C, ARG109F, ARG113C, ARG113F, ASN105C, ASN105F, ASN115C, ASN115F, ASN135C, ASN135F, ASN143C, ASN143F, CYS122C, CYS122F, GLN107C, GLN107F, GLN40C, GLN40F, GLU100C, GLU100F, GLU111C, GLU111F, GLU147C, GLU147F, GLY119C, GLY119F, GLY123C, GLY123F, GLY124C, GLY124F, GLY128C, GLY128F, GLY130C, GLY130F, GLY133C, GLY133F, HIS102C, HIS102F, HIS82C, HIS82F, ILE106C, ILE106F, ILE126C, ILE126F, ILE144C, ILE144F, ILE74C, ILE74F, ILE99C, ILE99F, LEU103C, LEU103F, LEU132C, LEU132F, LEU138C, LEU138F, LEU145C, LEU145F, LYS114C, LYS114F, MET127C, MET127F, MET136C, MET136F, MET139C, MET139F, MET141C, MET141F, PHE129C, PHE129F, PHE37C, PHE37F, PRO131C, PRO131F, PRO97C, PRO97F, SER116C, SER116F, SER81C, SER81F, THR104C, THR104F, THR118C, THR118F, TYR117C, TYR117F, TYR134C, TYR134F, VAL101C, VAL101F, VAL125C, VAL125F, VAL142C, VAL142F, VAL98C, VAL98F
• C-G: GLU110C, GLU111C, GLU111G, LYS114G, PHE112C
• D-E: ALA120E, ALA121E, ALA79D, ALA86E, ALA88E, ALA90E, ALA94E, ARG109D, ARG113D, ASN10D, ASN115D, ASN115E, ASN12D, ASN53D, ASP60E, ASP89E, GLN51D, GLN63E, GLU110D, GLU111D, GLU55D, GLU55E, GLU57D, GLU57E, GLU64E, GLY-18D, GLY15D, GLY56D, GLY56E, GLY67E, GLY78D, GLY8D, HIS82D, ILE58E, ILE59E, ILE62E, ILE85E, ILE87E, ILE91E, LEU11D, LEU14D, LEU93E, LYS114D, LYS61E, MET13D, MET92E, PHE112D, PHE50E, PHE54D, PHE54E, PHE80D, PRO77D, PRO9D, SER81D, SER84D, SER84E, THR52D, THR52E, THR83D, THR83E, TYR117E, VAL66E
• D-F: ALA120D, ALA121D, ALA79F, ALA86D, ALA88D, ALA90D, ALA94D, ARG109F, ARG113F, ARG17F, ASN10F, ASN115D, ASN12F, ASN53D, ASN53F, ASP60D, ASP89D, GLN51F, GLN63D, GLU110F, GLU111F, GLU55D, GLU55F, GLU57D, GLU57F, GLU64D, GLY-18D, GLY15F, GLY56D, GLY56F, GLY67D, GLY78F, GLY8F, GLY95D, HIS16F, HIS82D, HIS82F, ILE58D, ILE59D, ILE62D, ILE85D, ILE87D, ILE91D, LEU11F, LEU14F, LEU93D, LYS61D, MET13F, MET92D, PHE112F, PHE50D, PHE54D, PHE54F, PHE80F, PRO77F, PRO9F, SER81F, SER84D, SER84F, THR52D, THR52F, THR83D, THR83F, TYR117D, VAL66D
• D-H: GLU110D, GLU111D, GLU111H, LYS114H, PHE112D
• D-J: ALA108D, ALA108J, ALA120D, ALA120J, ALA121D, ALA121J, ALA137D, ALA137J, ALA140D, ALA140J, ARG109D, ARG109J, ARG113D, ARG113J, ASN105D, ASN105J, ASN115D, ASN115J, ASN135D, ASN135J, ASN143D, ASN143J, CYS122D, CYS122J, GLN107D, GLN107J, GLN40D, GLN40J, GLU100D, GLU100J, GLU111D, GLU111J, GLU147D, GLU147J, GLY119D, GLY119J, GLY123D, GLY123J, GLY124D, GLY124J, GLY128D, GLY128J, GLY130D, GLY130J, GLY133D, GLY133J, HIS102D, HIS102J, HIS82D, HIS82J, ILE106D, ILE106J, ILE126D, ILE126J, ILE144D, ILE144J, ILE33J, ILE74D, ILE74J, ILE99D, ILE99J, LEU103D, LEU103J, LEU132D, LEU132J, LEU138D, LEU138J, LEU145D, LEU145J, LYS114D, LYS114J, MET127D, MET127J, MET136D, MET136J, MET139D, MET139J, MET141D, MET141J, MET24D, MET24J, PHE129D, PHE129J, PHE151D, PHE151J, PHE37D, PHE37J, PRO131D, PRO131J, PRO97D, PRO97J, SER116D, SER116J, SER81D, SER81J, THR104D, THR104J, THR118D, THR118J, TYR117D, TYR117J, TYR134D, TYR134J, VAL101D, VAL101J, VAL125D, VAL125J, VAL142D, VAL142J, VAL25D, VAL25J, VAL98D, VAL98J
• D-L: GLU110L, GLU111D, GLU111L, LYS114D, PHE112L
• E-F: ALA120F, ALA79E, ALA86F, ALA88F, ALA90F, ALA94F, ARG109E, ARG113E, ARG17E, ASN10E, ASN115F, ASN12E, ASN53E, ASP60F, ASP89F, GLN51E, GLN63F, GLU110E, GLU111E, GLU55E, GLU55F, GLU57E, GLU57F, GLU64F, GLY15E, GLY56E, GLY56F, GLY67F, GLY78E, GLY8E, GLY95F, HIS16E, HIS82E, ILE58F, ILE59F, ILE62F, ILE85F, ILE87F, ILE91F, LEU11E, LEU14E, LEU93F, LYS61F, MET13E, MET92F, PHE112E, PHE50F, PHE54E, PHE54F, PHE80E, PRO77E, PRO9E, SER65F, SER81E, SER84E, SER84F, THR52E, THR52F, THR83E, THR83F, TYR117F, VAL66F
• E-G: GLU110G, GLU111E, GLU111G, LYS114E, PHE112G
• E-H: ALA108E, ALA108H, ALA120E, ALA120H, ALA121E, ALA121H, ALA137E, ALA137H, ALA140E, ALA140H, ARG109E, ARG109H, ARG113E, ARG113H, ASN105E, ASN105H, ASN115E, ASN115H, ASN135E, ASN135H, ASN143E, ASN143H, CYS122E, CYS122H, GLN107E, GLN107H, GLN40E, GLN40H, GLU100E, GLU100H, GLU111E, GLU111H, GLU147E, GLU147H, GLY119E, GLY119H, GLY123E, GLY123H, GLY124E, GLY124H, GLY128E, GLY128H, GLY130E, GLY130H, GLY133E, GLY133H, HIS102E, HIS102H, HIS82E, HIS82H, ILE106E, ILE106H, ILE126E, ILE126H, ILE144E, ILE144H, ILE74E, ILE74H, ILE99E, ILE99H, LEU103E, LEU103H, LEU132E, LEU132H, LEU138E, LEU138H, LEU145E, LEU145H, LEU43E, LYS114E, LYS114H, MET127E, MET127H, MET136E, MET136H, MET139E, MET139H, MET141E, MET141H, PHE129E, PHE129H, PHE37E, PHE37H, PRO131E, PRO131H, PRO97E, PRO97H, SER116E, SER116H, SER81H, THR104E, THR104H, THR118E, THR118H, TYR117E, TYR117H, TYR134E, TYR134H, VAL101E, VAL101H, VAL125E, VAL125H, VAL142E, VAL142H, VAL98E, VAL98H
• F-J: GLU110F, GLU111F, GLU111J, LYS114J, PHE112F
• G-H: ALA120H, ALA121H, ALA79G, ALA86H, ALA88H, ALA90H, ALA94H, ARG109G, ARG113G, ASN10G, ASN115G, ASN115H, ASN12G, ASN53G, ASP60H, ASP89H, GLN51G, GLN63H, GLU110G, GLU111G, GLU55G, GLU55H, GLU57G, GLU57H, GLU64H, GLY-18G, GLY15G, GLY56G, GLY56H, GLY78G, GLY8G, HIS82G, ILE58H, ILE59H, ILE62H, ILE85H, ILE87H, ILE91H, LEU11G, LEU14G, LEU93H, LYS114G, LYS61H, MET13G, MET92H, PHE112G, PHE50H, PHE54G, PHE54H, PHE80G, PRO77G, PRO9G, SER81G, SER84G, SER84H, THR52G, THR52H, THR83G, THR83H, TYR117H, VAL66H
• G-I: ALA120G, ALA121G, ALA79I, ALA86G, ALA88G, ALA90G, ALA94G, ARG109I, ARG113I, ARG17I, ASN10I, ASN115G, ASN12I, ASN53G, ASN53I, ASP60G, ASP89G, GLN51I, GLN63G, GLU110I, GLU111I, GLU55G, GLU55I, GLU57G, GLU57I, GLU64G, GLY-18G, GLY15I, GLY56G, GLY56I, GLY67G, GLY78I, GLY8I, GLY95G, HIS16I, HIS82G, HIS82I, ILE58G, ILE59G, ILE62G, ILE85G, ILE87G, ILE91G, LEU11I, LEU14I, LEU93G, LYS114I, LYS61G, MET13I, MET92G, PHE112I, PHE50G, PHE54G, PHE54I, PHE80I, PRO77I, PRO9I, SER65G, SER81I, SER84G, SER84I, THR52G, THR52I, THR83G, THR83I, TYR117G, VAL66G
• H-I: ALA120I, ALA79H, ALA86I, ALA88I, ALA90I, ALA94I, ARG109H, ARG113H, ARG17H, ASN10H, ASN115I, ASN12H, ASN53H, ASP60I, ASP89I, GLN51H, GLN63I, GLU110H, GLU111H, GLU55H, GLU55I, GLU57H, GLU57I, GLU64I, GLY15H, GLY56H, GLY56I, GLY67I, GLY78H, GLY8H, GLY95I, HIS16H, HIS82H, HIS82I, ILE58I, ILE59I, ILE62I, ILE85I, ILE87I, ILE91I, LEU11H, LEU14H, LEU93I, LYS61I, MET13H, MET92I, PHE112H, PHE50I, PHE54H, PHE54I, PHE80H, PRO77H, PRO9H, SER81H, SER84H, SER84I, THR52H, THR52I, THR83H, THR83I, TYR117I, VAL66I
• H-L: GLU111H, GLU111L, LYS114L, PHE112H
• I-K: GLU111I, GLU111K, LYS114I, PHE112K
• I-L: ALA108I, ALA108L, ALA120I, ALA120L, ALA121I, ALA121L, ALA137I, ALA137L, ALA140I, ALA140L, ARG109I, ARG109L, ARG113I, ARG113L, ASN105I, ASN105L, ASN115I, ASN115L, ASN135I, ASN135L, ASN143I, ASN143L, CYS122I, CYS122L, GLN107I, GLN107L, GLN40I, GLN40L, GLU100I, GLU100L, GLU111I, GLU111L, GLU147I, GLU147L, GLY119I, GLY119L, GLY123I, GLY123L, GLY124I, GLY124L, GLY128I, GLY128L, GLY130I, GLY130L, GLY133I, GLY133L, HIS102I, HIS102L, HIS82I, HIS82L, ILE106I, ILE106L, ILE126I, ILE126L, ILE144I, ILE144L, ILE74I, ILE74L, ILE99I, ILE99L, LEU103I, LEU103L, LEU132I, LEU132L, LEU138I, LEU138L, LEU145I, LEU145L, LEU43L, LYS114I, LYS114L, MET127I, MET127L, MET136I, MET136L, MET139I, MET139L, MET141I, MET141L, PHE129I, PHE129L, PHE37I, PHE37L, PRO131I, PRO131L, PRO97I, PRO97L, SER116I, SER116L, SER81I, SER81L, THR104I, THR104L, THR118I, THR118L, TYR117I, TYR117L, TYR134I, TYR134L, VAL101I, VAL101L, VAL125I, VAL125L, VAL142I, VAL142L, VAL98I, VAL98L
• J-K: ALA120K, ALA121K, ALA79J, ALA86K, ALA88K, ALA90K, ALA94K, ARG109J, ARG113J, ASN10J, ASN115J, ASN115K, ASN12J, ASN53J, ASP60K, ASP89K, GLN51J, GLN63K, GLU110J, GLU111J, GLU55J, GLU55K, GLU57J, GLU57K, GLU64K, GLY-18J, GLY15J, GLY56J, GLY56K, GLY78J, GLY8J, HIS82J, ILE58K, ILE59K, ILE62K, ILE85K, ILE87K, ILE91K, LEU11J, LEU14J, LEU93K, LYS114J, LYS61K, MET13J, MET92K, PHE112J, PHE50K, PHE54J, PHE54K, PHE80J, PRO77J, PRO9J, SER81J, SER84J, SER84K, THR52J, THR52K, THR83J, THR83K, TYR117K, VAL66K
• J-L: ALA120J, ALA121J, ALA79L, ALA86J, ALA88J, ALA90J, ALA94J, ARG109L, ARG113L, ARG17L, ASN10L, ASN115J, ASN12L, ASN53J, ASN53L, ASP60J, ASP89J, GLN51L, GLN63J, GLU110L, GLU111L, GLU55J, GLU55L, GLU57J, GLU57L, GLU64J, GLY-18J, GLY15L, GLY56J, GLY56L, GLY67J, GLY78L, GLY8L, GLY95J, HIS16L, HIS82L, ILE58J, ILE59J, ILE62J, ILE85J, ILE87J, ILE91J, LEU11L, LEU14L, LEU93J, LYS114L, LYS61J, MET13L, MET92J, PHE112L, PHE50J, PHE54J, PHE54L, PHE80L, PRO77L, PRO9L, SER81L, SER84J, SER84L, THR52J, THR52L, THR83J, THR83L, TYR117J, VAL66J
• K-L: ALA120L, ALA79K, ALA86L, ALA88L, ALA90L, ALA94L, ARG109K, ARG113K, ARG17K, ASN10K, ASN115L, ASN12K, ASN53K, ASP60L, ASP89L, GLN51K, GLN63L, GLU110K, GLU111K, GLU55K, GLU55L, GLU57K, GLU57L, GLU64L, GLY15K, GLY56K, GLY56L, GLY67L, GLY78K, GLY8K, GLY95L, HIS16K, HIS82K, ILE58L, ILE59L, ILE62L, ILE85L, ILE87L, ILE91L, LEU11K, LEU14K, LEU93L, LYS61L, MET13K, MET92L, PHE112K, PHE50L, PHE54K, PHE54L, PHE80K, PRO77K, PRO9K, SER65L, SER81K, SER84K, SER84L, THR52K, THR52L, THR83K, THR83L, TYR117L, VAL66L