3GFS

structure of yhda, k109d/d137k variant

• Total interactions analyzed: 66
• Total true interactions: 25
• Strongest Interaction:
  • Chains: A-K
  • Int. Res.: 11
  • Norm. En. per Res.: -10.9287
• Hub Node: C(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-C	-75.6513	-36.8286	-307.936	-420.4159	118	6	8	12684	0	28	18
A-I	-2.2124	36.9741	-165.48	-130.7184	65	12	1	6342	0	9	12
A-J	-9.4026	-6.7088	-50.5351	-66.6465	36	0	1	2185	0	8	6
A-K	-14.4066	-80.3667	-25.442	-120.2153	11	4	0	700	6	12	0
A-L	0.0	10.1293	-28.9586	-18.8293	29	3	0	1405	0	16	23
B-C	0.0	0.0	-0.454	-0.454	4	0	0	33	0	2	0
B-D	-75.313	-39.9876	-305.732	-421.0327	118	7	9	12755	1	28	18
B-E	0.0	0.0	-0.1842	-0.1842	5	0	0	23	0	3	3
B-F	0.0	0.0	-0.1553	-0.1553	5	0	0	52	0	2	2
B-G	-2.1273	35.9793	-164.942	-131.0901	64	14	1	6120	0	9	13
B-H	-8.7191	-5.5735	-54.9409	-69.2335	36	0	1	2246	0	8	6
C-D	-24.5244	80.8647	-220.033	-163.6927	99	14	9	9793	0	41	49
C-E	0.0	0.0	-0.0208	-0.0208	5	0	0	14	0	7	8
C-I	-9.6801	-6.3902	-51.4742	-67.5445	36	1	1	2198	0	8	6
C-J	-10.5993	37.0123	-147.762	-121.3489	63	6	1	5880	0	8	13
C-K	-20.006	24.5425	-43.8412	-39.3047	20	5	1	1202	0	0	17
C-L	-12.6928	-72.2841	-22.1321	-107.109	10	1	0	513	6	11	1
D-E	-24.0004	-11.975	-90.7925	-126.7679	48	6	1	3475	0	20	15
D-G	-9.1508	-6.4094	-56.2019	-71.7621	37	0	1	2406	0	8	6
D-H	-5.4446	35.7177	-146.641	-116.3679	62	4	0	5706	0	8	12
E-F	-77.9613	-42.7605	-292.269	-412.9908	115	8	7	12272	1	28	18
F-G	-12.416	-87.019	-83.7292	-183.1642	35	3	0	2899	8	28	21
G-H	-74.874	-41.4743	-308.65	-424.9983	121	7	8	12755	0	28	18
I-J	-74.1677	-36.8362	-292.186	-403.1898	116	7	8	12299	0	28	18
K-L	-76.0831	-48.4281	-309.704	-434.2151	119	7	7	12681	0	28	18

Interface residues

• A-C: ALA114A, ALA114C, ALA46A, ALA46C, ALA81A, ALA81C, ALA85A, ALA85C, ARG119A, ARG119C, ARG11A, ARG11C, ARG123A, ARG123C, ASN113A, ASN113C, ASN116A, ASN116C, ASN117A, ASN117C, ASN43A, ASN43C, ASN84A, ASN84C, ASP109A, ASP109C, ASP87A, ASP87C, GLN48A, GLN48C, GLN93A, GLN93C, GLU45A, GLU45C, GLU73A, GLU73C, GLU92A, GLU92C, GLY110A, GLY110C, GLY124A, GLY124C, GLY14A, GLY14C, GLY44A, GLY44C, GLY77A, GLY77C, GLY80A, GLY80C, HIS13A, HIS13C, HIS75A, HIS75C, ILE112A, ILE112C, LEU34A, LEU34C, LEU39A, LEU39C, LEU82A, LEU82C, LEU86A, LEU86C, LEU89A, LEU89C, LYS12A, LYS12C, LYS83A, LYS83C, MET118A, MET118C, MET122A, MET122C, MET78A, MET78C, PHE37A, PHE37C, PHE42A, PHE42C, PHE88A, PHE88C, PHE94A, PHE94C, PRO10A, PRO10C, PRO40A, PRO40C, PRO72A, PRO72C, SER35A, SER35C, SER71A, SER71C, SER76A, SER76C, SER79A, SER79C, SER90A, SER90C, SER91A, SER91C, THR120A, THR120C, THR9A, THR9C, TYR126A, TYR126C, TYR74A, TYR74C, VAL121A, VAL121C, VAL125A, VAL125C, VAL38A, VAL38C, VAL41A, VAL41C
• A-I: ALA127A, ALA127I, ALA169A, ALA169I, ARG119A, ARG119I, ARG123A, ARG123I, ASN116A, ASN116I, ASN128A, ASN128I, GLN133A, GLN133I, GLU158A, GLU158I, GLU161I, GLU162A, GLU162I, GLY124A, GLY124I, ILE112A, ILE112I, ILE130A, ILE130I, LEU101A, LEU101I, LEU115A, LEU115I, LEU134A, LEU134I, LEU159A, LEU159I, LEU163I, LYS132A, LYS132I, LYS168A, LYS168I, LYS95A, LYS95I, LYS97A, LYS97I, MET122A, MET122I, MET165A, MET165I, PHE166A, PHE166I, PHE94A, PHE94I, PRO131A, PRO131I, PRO98A, PRO98I, THR120A, THR120I, TYR126A, TYR126I, TYR96A, TYR96I, VAL125A, VAL125I, VAL129A, VAL129I, VAL135I
• A-J: ALA114A, ALA114J, ASN113A, ASN113J, ASN116A, ASN116J, ASN117A, ASN117J, ASP109A, ASP109J, GLN133A, GLN133J, GLU73A, GLU73J, GLY108A, GLY108J, GLY110A, GLY110J, GLY111A, GLY111J, HIS140A, HIS140J, ILE112A, ILE112J, LEU115A, LEU115J, LEU134A, LEU134J, LEU136A, LEU136J, LYS137A, LYS137J, SER76A, SER76J, VAL135A, VAL135J
• A-K: ALA46K, ARG11A, ARG15A, ASN43K, GLN48K, GLU45K, GLU47K, GLY14A, GLY44K, HIS13A, LYS12A
• A-L: ALA146A, ALA146L, ARG11A, ARG11L, ARG17A, ARG17L, ASN145A, ASN145L, GLU144A, GLU144L, GLU36A, GLU36L, GLY14A, GLY14L, HIS13A, HIS13L, ILE18A, LEU52L, LYS12A, LYS12L, LYS53A, LYS53L, PRO40L, SER35A, SER35L, VAL143A, VAL143L, VAL38A, VAL38L
• B-C: ASN43B, GLU45B, GLU47B, MET1C
• B-D: ALA114B, ALA114D, ALA46B, ALA46D, ALA81B, ALA81D, ALA85B, ALA85D, ARG119B, ARG119D, ARG11B, ARG11D, ARG123B, ARG123D, ASN113B, ASN113D, ASN116B, ASN116D, ASN117B, ASN117D, ASN43B, ASN43D, ASN84B, ASN84D, ASP109B, ASP109D, ASP87B, ASP87D, GLN48B, GLN48D, GLN93B, GLN93D, GLU45B, GLU45D, GLU47D, GLU73B, GLU73D, GLU92B, GLU92D, GLY110D, GLY124B, GLY124D, GLY14B, GLY14D, GLY44B, GLY44D, GLY77B, GLY77D, GLY80B, GLY80D, HIS13B, HIS13D, HIS75B, HIS75D, ILE112B, ILE112D, LEU34B, LEU34D, LEU39B, LEU39D, LEU82B, LEU82D, LEU86B, LEU86D, LEU89B, LEU89D, LYS12B, LYS12D, LYS83B, LYS83D, MET118B, MET118D, MET122B, MET122D, MET78B, MET78D, PHE37B, PHE37D, PHE42B, PHE42D, PHE88B, PHE88D, PHE94B, PHE94D, PRO10B, PRO10D, PRO40B, PRO40D, PRO72B, PRO72D, SER35B, SER35D, SER71B, SER71D, SER76B, SER76D, SER79B, SER79D, SER90B, SER90D, SER91B, SER91D, THR120B, THR120D, THR9B, THR9D, TYR126B, TYR126D, TYR74B, TYR74D, VAL121B, VAL121D, VAL125B, VAL125D, VAL38B, VAL38D, VAL41B, VAL41D
• B-E: GLU45E, GLU47E, LYS95B, SER90B, SER91B
• B-F: HIS13F, LYS12F, LYS95B, TYR126B, TYR96B
• B-G: ALA127B, ALA127G, ALA169B, ALA169G, ARG119B, ARG119G, ARG123B, ARG123G, ASN116B, ASN116G, ASN128B, ASN128G, GLN133B, GLN133G, GLU158B, GLU158G, GLU161B, GLU161G, GLU162B, GLU162G, GLY124B, GLY124G, ILE112B, ILE112G, ILE130B, ILE130G, LEU101B, LEU101G, LEU115B, LEU115G, LEU134B, LEU134G, LEU159B, LEU159G, LYS132B, LYS132G, LYS168B, LYS168G, LYS95B, LYS95G, LYS97B, LYS97G, MET122B, MET122G, MET165B, MET165G, PHE166B, PHE166G, PHE94B, PHE94G, PRO131B, PRO131G, PRO98B, PRO98G, THR120B, THR120G, TYR126B, TYR126G, TYR96B, TYR96G, VAL125B, VAL125G, VAL129B, VAL129G
• B-H: ALA114B, ALA114H, ASN113B, ASN113H, ASN116B, ASN116H, ASN117B, ASN117H, ASP109B, ASP109H, GLN133B, GLN133H, GLU73B, GLU73H, GLY108B, GLY108H, GLY110B, GLY110H, GLY111B, GLY111H, HIS140B, HIS140H, ILE112B, ILE112H, LEU115B, LEU115H, LEU134B, LEU134H, LEU136B, LEU136H, LYS137B, LYS137H, SER76B, SER76H, VAL135B, VAL135H
• C-D: ALA146C, ALA146D, ALA19C, ALA19D, ALA20C, ALA24C, ALA24D, ALA25C, ALA25D, ARG11C, ARG11D, ARG15C, ARG15D, ARG17C, ARG17D, ARG60C, ARG60D, ASN145C, ASN145D, ASN2C, ASP142C, ASP142D, ASP30C, ASP30D, ASP33C, ASP33D, GLN55C, GLN55D, GLN59C, GLN59D, GLU144C, GLU144D, GLU150C, GLU150D, GLU36C, GLU36D, GLU50C, GLU50D, GLU56C, GLU56D, GLY14C, GLY14D, HIS13C, HIS13D, HIS28C, HIS28D, ILE18C, ILE18D, ILE23C, ILE23D, ILE32C, ILE32D, LEU26C, LEU26D, LEU31C, LEU31D, LEU4C, LEU4D, LEU51C, LEU51D, LEU52C, LEU52D, LEU57C, LEU57D, LYS12C, LYS12D, LYS153C, LYS153D, LYS53C, LYS53D, LYS63C, LYS63D, MET1C, MET3C, MET3D, PHE37C, PHE37D, SER21C, SER21D, SER35C, SER35D, THR147C, THR147D, THR29C, THR29D, TYR22C, TYR22D, TYR27C, TYR27D, VAL143C, VAL143D, VAL148C, VAL148D, VAL38C, VAL38D, VAL54C, VAL54D, VAL5C, VAL5D
• C-E: GLU150C, HIS28C, LEU52E, LYS153C, LYS63E
• C-I: ALA114C, ALA114I, ASN113C, ASN113I, ASN116C, ASN116I, ASN117C, ASN117I, ASP109C, ASP109I, GLN133C, GLN133I, GLU73C, GLU73I, GLY108C, GLY108I, GLY110C, GLY110I, GLY111C, GLY111I, HIS140C, HIS140I, ILE112C, ILE112I, LEU115C, LEU115I, LEU134C, LEU134I, LEU136C, LEU136I, LYS137C, LYS137I, SER76C, SER76I, VAL135C, VAL135I
• C-J: ALA127C, ALA127J, ALA169C, ALA169J, ARG119C, ARG119J, ARG123C, ARG123J, ASN116C, ASN116J, ASN128C, ASN128J, GLN133C, GLN133J, GLU158C, GLU158J, GLU161C, GLU162C, GLU162J, GLY124C, GLY124J, ILE112C, ILE112J, ILE130C, ILE130J, LEU101C, LEU101J, LEU115C, LEU115J, LEU134C, LEU134J, LEU159C, LEU159J, LEU163C, LYS132C, LYS132J, LYS168C, LYS168J, LYS95C, LYS95J, LYS97C, LYS97J, MET122C, MET122J, MET165C, MET165J, PHE166C, PHE166J, PRO131C, PRO131J, PRO98C, PRO98J, THR120C, THR120J, TYR126C, TYR126J, TYR96C, TYR96J, VAL125C, VAL125J, VAL129C, VAL129J, VAL135C
• C-K: ALA46C, ALA46K, ASN43C, ASN43K, GLN48C, GLN48K, GLU45C, GLU45K, GLU47C, GLU47K, GLU50C, GLU50K, GLY44C, GLY44K, LYS58C, LYS58K, PHE42C, PHE42K, SER49C, SER49K
• C-L: ALA46C, ARG11L, ASN43C, GLN48C, GLU45C, GLU47C, GLY14L, GLY44C, HIS13L, LYS12L
• D-E: ALA105D, ALA146D, ALA149D, ALA46E, ARG11D, ARG15D, ARG60E, ASN145D, ASP109D, ASP142D, ASP30E, GLN48E, GLN55E, GLN59E, GLU144D, GLU47E, GLU50E, GLU56E, GLU92E, GLY106D, GLY107D, GLY108D, GLY110D, GLY14D, HIS13D, HIS140D, HIS75D, ILE141D, ILE18D, LEU51E, LEU52E, LEU57E, LYS12D, LYS137D, LYS53E, LYS58E, LYS63E, PHE37E, PRO138D, SER49E, THR147D, THR16D, THR62E, THR9D, VAL139D, VAL143D, VAL54E, VAL61E
• D-G: ALA114D, ALA114G, ASN113D, ASN113G, ASN116D, ASN116G, ASN117D, ASN117G, ASP109D, ASP109G, GLN133D, GLN133G, GLU73D, GLU73G, GLY107D, GLY108D, GLY108G, GLY110D, GLY110G, GLY111D, GLY111G, HIS140D, HIS140G, ILE112D, ILE112G, LEU115D, LEU115G, LEU134D, LEU134G, LEU136D, LEU136G, LYS137D, LYS137G, SER76D, SER76G, VAL135D, VAL135G
• D-H: ALA127D, ALA127H, ALA169D, ARG119D, ARG119H, ARG123D, ARG123H, ASN116D, ASN116H, ASN128D, ASN128H, GLN133D, GLN133H, GLU158D, GLU158H, GLU161D, GLU162D, GLU162H, GLY124D, GLY124H, ILE112D, ILE112H, ILE130D, ILE130H, LEU101D, LEU101H, LEU115D, LEU115H, LEU134D, LEU134H, LEU159D, LEU159H, LYS132D, LYS132H, LYS168H, LYS95D, LYS95H, LYS97D, LYS97H, MET122D, MET122H, MET165D, MET165H, PHE166D, PHE166H, PHE94D, PHE94H, PRO131D, PRO131H, PRO98D, PRO98H, THR120D, THR120H, TYR126D, TYR126H, TYR96D, TYR96H, VAL125D, VAL125H, VAL129D, VAL129H, VAL135H
• E-F: ALA114E, ALA114F, ALA81E, ALA81F, ALA85E, ALA85F, ARG119E, ARG119F, ARG11E, ARG11F, ARG123E, ARG123F, ASN113E, ASN113F, ASN116E, ASN116F, ASN117E, ASN117F, ASN43E, ASN43F, ASN84E, ASN84F, ASP109E, ASP109F, ASP87E, ASP87F, GLN48E, GLN48F, GLN93E, GLN93F, GLU45E, GLU45F, GLU73E, GLU73F, GLU92E, GLU92F, GLY110E, GLY124E, GLY124F, GLY14E, GLY14F, GLY44E, GLY44F, GLY77E, GLY77F, GLY80E, GLY80F, HIS13E, HIS13F, HIS75E, HIS75F, ILE112E, ILE112F, LEU34E, LEU34F, LEU39E, LEU39F, LEU82E, LEU82F, LEU86E, LEU86F, LEU89E, LEU89F, LYS12E, LYS12F, LYS83E, LYS83F, MET118E, MET118F, MET122E, MET122F, MET78E, MET78F, PHE37E, PHE37F, PHE42E, PHE42F, PHE88E, PHE88F, PHE94E, PHE94F, PRO10E, PRO10F, PRO40E, PRO40F, PRO72E, PRO72F, SER35E, SER35F, SER71E, SER71F, SER76E, SER76F, SER79E, SER79F, SER90E, SER90F, SER91E, SER91F, THR120E, THR120F, THR9E, THR9F, TYR126E, TYR126F, TYR74E, TYR74F, VAL121E, VAL121F, VAL125E, VAL125F, VAL38E, VAL38F, VAL41E, VAL41F
• F-G: ALA146F, ALA25G, ARG11F, ARG15F, ARG17F, ASN145F, ASN151G, ASP142F, GLU144F, GLU150G, GLU154G, GLU158G, GLU161G, GLU162G, GLY14F, HIS13F, HIS28G, ILE152G, ILE156G, ILE18F, ILE23G, LEU26G, LYS12F, LYS132G, LYS153G, LYS157G, PRO138F, SER155G, THR147F, TYR22G, TYR27G, VAL139F, VAL143F, VAL148G, VAL160G
• G-H: ALA114G, ALA114H, ALA46G, ALA46H, ALA81G, ALA81H, ALA85G, ALA85H, ARG119G, ARG119H, ARG11G, ARG11H, ARG123G, ARG123H, ASN113G, ASN113H, ASN116G, ASN116H, ASN117G, ASN117H, ASN43G, ASN43H, ASN84G, ASN84H, ASP109G, ASP109H, ASP87G, ASP87H, GLN48G, GLN48H, GLN93G, GLN93H, GLU36H, GLU45G, GLU45H, GLU47G, GLU73G, GLU73H, GLU92G, GLU92H, GLY110G, GLY110H, GLY124G, GLY124H, GLY14G, GLY14H, GLY44G, GLY44H, GLY77G, GLY77H, GLY80G, GLY80H, GLY8H, HIS13G, HIS13H, HIS75G, HIS75H, ILE112G, ILE112H, LEU34G, LEU34H, LEU39G, LEU39H, LEU82G, LEU82H, LEU86G, LEU86H, LEU89G, LEU89H, LYS12G, LYS12H, LYS83G, LYS83H, MET118G, MET118H, MET122G, MET122H, MET78G, MET78H, PHE37G, PHE37H, PHE42G, PHE42H, PHE88G, PHE88H, PHE94G, PHE94H, PRO10G, PRO10H, PRO40G, PRO40H, PRO72G, PRO72H, SER35G, SER35H, SER71G, SER71H, SER76G, SER76H, SER79G, SER79H, SER90G, SER90H, SER91G, SER91H, THR120G, THR120H, THR9G, THR9H, TYR126G, TYR126H, TYR74G, TYR74H, VAL121G, VAL121H, VAL125G, VAL125H, VAL38G, VAL38H, VAL41G, VAL41H
• I-J: ALA114I, ALA114J, ALA81I, ALA81J, ALA85I, ALA85J, ARG119I, ARG119J, ARG11I, ARG11J, ARG123I, ARG123J, ASN113I, ASN113J, ASN116I, ASN116J, ASN117I, ASN117J, ASN43I, ASN43J, ASN84I, ASN84J, ASP109I, ASP109J, ASP87I, ASP87J, GLN48I, GLN48J, GLN93I, GLN93J, GLU45I, GLU45J, GLU47J, GLU73I, GLU73J, GLU92I, GLU92J, GLY110J, GLY124I, GLY124J, GLY14I, GLY14J, GLY44I, GLY44J, GLY77I, GLY77J, GLY80I, GLY80J, HIS13I, HIS13J, HIS75I, HIS75J, ILE112I, ILE112J, LEU34I, LEU34J, LEU39I, LEU39J, LEU82I, LEU82J, LEU86I, LEU86J, LEU89I, LEU89J, LYS12I, LYS12J, LYS83I, LYS83J, MET118I, MET118J, MET122I, MET122J, MET78I, MET78J, PHE37I, PHE37J, PHE42I, PHE42J, PHE88I, PHE88J, PHE94I, PHE94J, PRO10I, PRO10J, PRO40I, PRO40J, PRO72I, PRO72J, SER35I, SER35J, SER71I, SER71J, SER76I, SER76J, SER79I, SER79J, SER90I, SER90J, SER91I, SER91J, THR120I, THR120J, THR9I, THR9J, TYR126I, TYR126J, TYR74I, TYR74J, VAL121I, VAL121J, VAL125I, VAL125J, VAL38I, VAL38J, VAL41I, VAL41J
• K-L: ALA114K, ALA114L, ALA46K, ALA46L, ALA81K, ALA81L, ALA85K, ALA85L, ARG119K, ARG119L, ARG11K, ARG11L, ARG123K, ARG123L, ASN113K, ASN113L, ASN116K, ASN116L, ASN117K, ASN117L, ASN43K, ASN43L, ASN84K, ASN84L, ASP109K, ASP109L, ASP87K, ASP87L, GLN48K, GLN48L, GLN93K, GLN93L, GLU45K, GLU45L, GLU47L, GLU73K, GLU73L, GLU92K, GLU92L, GLY110L, GLY124K, GLY124L, GLY14K, GLY14L, GLY44K, GLY44L, GLY77K, GLY77L, GLY80K, GLY80L, GLY8L, HIS13K, HIS13L, HIS75K, HIS75L, ILE112K, ILE112L, LEU34K, LEU34L, LEU39K, LEU39L, LEU82K, LEU82L, LEU86K, LEU86L, LEU89K, LEU89L, LYS12K, LYS12L, LYS83K, LYS83L, MET118K, MET118L, MET122K, MET122L, MET78K, MET78L, PHE37K, PHE37L, PHE42K, PHE42L, PHE88K, PHE88L, PHE94K, PHE94L, PRO10K, PRO10L, PRO40K, PRO40L, PRO72K, PRO72L, SER35K, SER35L, SER71K, SER71L, SER76K, SER76L, SER79K, SER79L, SER90K, SER90L, SER91K, SER91L, THR120K, THR120L, THR9K, THR9L, TYR126K, TYR126L, TYR74K, TYR74L, VAL121K, VAL121L, VAL125K, VAL125L, VAL38K, VAL38L, VAL41K, VAL41L