3QWN

crystal structure of a hypothetical nigd-like protein (baccac_03262) from bacteroides caccae at 2.42 a resolution

• Total interactions analyzed: 66
• Total true interactions: 22
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 95
  • Norm. En. per Res.: -3.4456
• Hub Node: B(4)

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	-36.5943	0.0	-214.662	-251.2563	101	10	6	8087	0	14	11
A-C	0.0	0.0	-0.082	-0.082	4	0	0	35	0	0	2
A-D	-66.1723	-4.6932	-168.053	-238.9185	91	10	3	6785	7	9	15
B-C	-87.4737	-20.3809	-219.481	-327.3356	95	10	3	7871	8	8	16
B-D	0.0	0.0	-0.3424	-0.3424	7	0	0	65	0	0	3
B-E	0.0	0.0	-0.0041	-0.0041	3	0	0	4	0	2	0
B-H	-4.1443	-1.1778	-69.0773	-74.3995	66	11	0	3504	0	15	14
C-D	-17.6289	0.0	-201.209	-218.8379	86	8	5	7654	0	14	9
E-F	-27.9994	0.0	-210.742	-238.7414	97	8	6	7876	0	14	11
E-G	0.0	0.0	-0.5821	-0.5821	7	0	0	90	0	0	3
E-H	-61.4789	-2.7022	-175.462	-239.6432	94	11	3	6933	7	9	15
F-G	-71.8313	-5.0544	-179.78	-256.6657	95	12	2	7242	8	11	16
F-H	0.0	0.0	-0.5486	-0.5486	7	0	0	64	0	0	2
F-I	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	3	1
F-L	0.0	3.6437	-74.4497	-70.8059	62	5	0	3187	0	13	11
G-H	-24.5955	0.0	-226.223	-250.8185	98	6	6	8611	0	16	10
I-J	-35.7225	0.0	-218.724	-254.4465	101	9	6	8182	0	14	11
I-K	0.0	0.0	-0.0245	-0.0245	5	0	0	16	0	0	3
I-L	-81.4165	-4.1715	-167.709	-253.297	90	13	2	6482	7	8	16
J-K	-66.2198	-4.7468	-196.498	-267.4646	96	10	3	7291	7	8	14
J-L	0.0	0.0	-0.1285	-0.1285	4	0	0	50	0	0	3
K-L	-29.9623	0.0	-203.729	-233.6913	85	6	6	7655	0	14	8

Interface residues

• A-B: ALA67A, ALA67B, ARG181A, ARG181B, ARG63A, ARG63B, ARG74A, ARG74B, ARG75A, ARG75B, ASN138A, ASN142A, ASN142B, ASN173A, ASN173B, ASN180A, ASN180B, ASN79A, ASN79B, ASP175A, ASP175B, ASP62A, ASP62B, GLN146A, GLN146B, GLN97A, GLN97B, GLU176A, GLU176B, GLU177A, GLU177B, GLY143A, GLY143B, GLY144A, GLY144B, GLY44A, GLY44B, GLY65A, GLY65B, HIS147A, HIS147B, ILE46A, ILE46B, ILE68A, ILE68B, ILE93A, ILE93B, LEU33A, LEU33B, LEU96A, LEU96B, LEU99A, LEU99B, LYS140A, LYS140B, LYS145A, LYS145B, LYS32A, LYS32B, PHE149A, PHE149B, PRO29A, PRO29B, PRO70A, PRO70B, SER30A, SER30B, SER45B, SER66A, SER66B, SER69A, SER69B, SER95A, SER95B, SER98A, SER98B, THR64A, THR64B, THR72A, THR72B, TYR178A, TYR178B, TYR179A, TYR179B, TYR27B, TYR28A, TYR28B, TYR94A, TYR94B, VAL100A, VAL100B, VAL141A, VAL141B, VAL148A, VAL148B, VAL31A, VAL31B, VAL38A, VAL38B, VAL76A, VAL76B
• A-C: ARG63A, ARG63C, SER30A, VAL31C
• A-D: ALA89A, ALA89D, ARG182A, ARG182D, ARG63A, ARG63D, ASN134A, ASN134D, ASN225A, ASN225D, ASN53A, ASN53D, ASN79A, ASN79D, ASN85A, ASN85D, CYS224A, CYS224D, GLU229A, GLU229D, GLU34A, GLU34D, GLU81A, GLU81D, GLY227A, GLY227D, GLY54A, GLY54D, GLY86A, GLY86D, HIS87A, HIS87D, ILE126A, ILE126D, ILE136A, ILE136D, ILE204A, ILE204D, LEU128A, LEU128D, LEU133A, LEU133D, LEU33A, LEU33D, LEU83A, LEU83D, LYS205A, LYS222A, LYS222D, LYS32A, LYS32D, PHE228A, PHE228D, PRO226A, PRO226D, PRO29A, SER125A, SER125D, SER30A, SER30D, SER78A, SER78D, SER84A, SER84D, THR203A, THR203D, THR82A, THR82D, THR88A, THR88D, THR90A, THR90D, TRP127A, TRP127D, TYR184A, TYR184D, TYR223A, TYR223D, TYR28A, TYR80A, TYR80D, TYR94A, TYR94D, VAL123A, VAL123D, VAL124A, VAL124D, VAL31A, VAL31D, VAL92A, VAL92D
• B-C: ALA89B, ALA89C, ARG182B, ARG182C, ARG63B, ARG63C, ASN134B, ASN134C, ASN225B, ASN225C, ASN53B, ASN53C, ASN79B, ASN79C, ASN85B, ASN85C, CYS224B, CYS224C, GLU229B, GLU229C, GLU34B, GLU34C, GLU81B, GLU81C, GLY227B, GLY227C, GLY54B, GLY54C, GLY86B, GLY86C, HIS87B, HIS87C, ILE126B, ILE126C, ILE136B, ILE136C, ILE204B, ILE204C, LEU128B, LEU128C, LEU133B, LEU133C, LEU33B, LEU33C, LEU49C, LEU83B, LEU83C, LYS205C, LYS222B, LYS222C, LYS32B, LYS32C, LYS61C, PHE228B, PHE228C, PRO226B, PRO226C, PRO29B, PRO51C, SER125B, SER125C, SER30B, SER78C, SER84B, SER84C, SER95C, THR203B, THR203C, THR82B, THR82C, THR88B, THR88C, THR90B, THR90C, TRP127B, TRP127C, TYR184B, TYR184C, TYR223B, TYR223C, TYR27B, TYR28B, TYR80B, TYR80C, TYR94B, TYR94C, VAL123B, VAL123C, VAL124B, VAL124C, VAL31B, VAL31C, VAL36C, VAL92B, VAL92C
• B-D: ARG63B, ARG63D, LYS61B, SER30B, SER30D, VAL31B, VAL31D
• B-E: ALA195B, ASN85E, GLU196B
• B-H: ALA193B, ALA195B, ALA195H, ALA40B, ALA56B, ARG130B, ARG74B, ARG75B, ASN161H, ASN197B, ASN197H, ASN225H, ASN71B, ASP190B, ASP194B, ASP194H, ASP233B, ASP43B, ASP52B, CYS224H, GLN200H, GLN47B, GLU157H, GLU159H, GLU196B, GLU196H, GLU219H, GLU55B, GLY162H, GLY199H, GLY221H, GLY227H, GLY41B, GLY44B, ILE202H, ILE218H, ILE50B, LEU49B, LEU57B, LYS191B, LYS201H, LYS205H, LYS207H, LYS222H, LYS39B, PHE158H, PRO198B, PRO198H, PRO226H, PRO232B, PRO51B, PRO70B, SER156H, SER220H, SER73B, THR160H, THR163H, THR37B, THR42B, THR48B, THR58B, THR72B, TYR132B, TYR192B, TYR223H, VAL38B
• C-D: ALA67C, ALA67D, ARG181C, ARG181D, ARG63C, ARG63D, ARG74C, ARG74D, ARG75C, ARG75D, ASN142C, ASN142D, ASN173C, ASN173D, ASN180C, ASN180D, ASN79C, ASP175C, ASP175D, ASP62D, GLN146C, GLN146D, GLN97C, GLN97D, GLU176C, GLU176D, GLU177C, GLU177D, GLY143C, GLY143D, GLY144C, GLY144D, GLY65C, GLY65D, HIS147C, HIS147D, ILE46C, ILE46D, ILE68C, ILE68D, ILE93C, ILE93D, LEU33C, LEU96C, LEU96D, LEU99C, LEU99D, LYS140C, LYS140D, LYS145C, LYS145D, LYS32C, PHE149C, PHE149D, PRO70C, PRO70D, SER30D, SER66C, SER66D, SER69C, SER69D, SER95C, SER95D, SER98C, SER98D, THR101C, THR64C, THR64D, THR72C, THR72D, TYR178C, TYR178D, TYR179C, TYR179D, VAL100C, VAL100D, VAL141C, VAL141D, VAL148C, VAL148D, VAL31C, VAL31D, VAL38C, VAL38D, VAL76C, VAL76D
• E-F: ALA67E, ALA67F, ARG181E, ARG181F, ARG63E, ARG63F, ARG74E, ARG74F, ARG75E, ARG75F, ASN138F, ASN142E, ASN142F, ASN173E, ASN173F, ASN180E, ASN180F, ASN79E, ASN79F, ASP175E, ASP175F, ASP62E, ASP62F, GLN146E, GLN146F, GLN97E, GLN97F, GLU176E, GLU176F, GLU177E, GLU177F, GLY143E, GLY143F, GLY144E, GLY144F, GLY44E, GLY44F, GLY65E, GLY65F, HIS147E, HIS147F, ILE46E, ILE46F, ILE68E, ILE68F, ILE93E, ILE93F, LEU33E, LEU33F, LEU96E, LEU96F, LEU99E, LEU99F, LYS140E, LYS140F, LYS145E, LYS145F, LYS32E, LYS32F, PHE149E, PHE149F, PRO29E, PRO29F, PRO70E, PRO70F, SER30E, SER30F, SER66E, SER66F, SER69E, SER69F, SER95E, SER95F, SER98E, SER98F, THR64E, THR64F, THR72E, THR72F, TYR178E, TYR178F, TYR179E, TYR179F, TYR94E, TYR94F, VAL100E, VAL100F, VAL141E, VAL141F, VAL148E, VAL148F, VAL31E, VAL31F, VAL38E, VAL38F, VAL76E, VAL76F
• E-G: ARG63E, ARG63G, PRO29E, SER30E, SER30G, TYR26G, VAL31G
• E-H: ALA89E, ALA89H, ARG182E, ARG182H, ARG63E, ARG63H, ASN134E, ASN134H, ASN225E, ASN225H, ASN53E, ASN53H, ASN79E, ASN79H, ASN85E, ASN85H, CYS224E, CYS224H, GLU229E, GLU229H, GLU34E, GLU34H, GLU81E, GLU81H, GLY227E, GLY227H, GLY54E, GLY54H, GLY86E, GLY86H, HIS87E, HIS87H, ILE126E, ILE126H, ILE136E, ILE136H, ILE204E, ILE204H, LEU128E, LEU128H, LEU133E, LEU133H, LEU33E, LEU33H, LEU83E, LEU83H, LYS205E, LYS205H, LYS222E, LYS222H, LYS32E, LYS32H, LYS61E, PHE228E, PHE228H, PRO226E, PRO226H, PRO29E, PRO29H, SER125E, SER125H, SER30E, SER30H, SER78E, SER78H, SER84E, SER84H, THR203E, THR203H, THR82E, THR82H, THR88E, THR88H, THR90E, THR90H, TRP127E, TRP127H, TYR184E, TYR184H, TYR223E, TYR223H, TYR28H, TYR80E, TYR80H, TYR94E, TYR94H, VAL123E, VAL123H, VAL124E, VAL124H, VAL31E, VAL31H, VAL92E, VAL92H
• F-G: ALA89F, ALA89G, ARG182F, ARG182G, ARG63F, ARG63G, ASN134F, ASN134G, ASN225F, ASN225G, ASN53F, ASN53G, ASN79F, ASN79G, ASN85F, ASN85G, ASP25G, CYS224F, CYS224G, GLU229F, GLU229G, GLU34F, GLU34G, GLU81F, GLU81G, GLY227F, GLY227G, GLY54F, GLY54G, GLY86F, GLY86G, HIS87F, HIS87G, ILE126F, ILE126G, ILE136F, ILE136G, ILE204F, ILE204G, LEU128F, LEU128G, LEU133F, LEU133G, LEU33F, LEU33G, LEU83F, LEU83G, LYS205F, LYS205G, LYS222F, LYS222G, LYS32F, LYS32G, LYS61F, PHE228F, PHE228G, PRO226F, PRO226G, PRO29F, SER125F, SER125G, SER30F, SER30G, SER78F, SER78G, SER84F, SER84G, THR203F, THR203G, THR82F, THR82G, THR88F, THR88G, THR90F, THR90G, TRP127F, TRP127G, TYR184F, TYR184G, TYR223F, TYR223G, TYR26G, TYR27G, TYR80F, TYR80G, TYR94F, TYR94G, VAL123F, VAL123G, VAL124F, VAL124G, VAL31F, VAL31G, VAL92F, VAL92G
• F-H: ARG63F, ARG63H, PRO29H, SER30F, SER30H, VAL31F, VAL31H
• F-I: ALA195F, ASN85I
• F-L: ALA193F, ALA195F, ALA195L, ALA40F, ALA56F, ARG130F, ASN161L, ASN197F, ASN197L, ASN225L, ASN71F, ASP190F, ASP194F, ASP194L, ASP233F, ASP233L, ASP43F, CYS224L, GLN200L, GLN47F, GLU157L, GLU159L, GLU196F, GLU196L, GLU219L, GLU229L, GLU55F, GLY162L, GLY199L, GLY221L, GLY41F, GLY44F, GLY54F, ILE202L, ILE218L, ILE50F, LEU49F, LEU57F, LYS201L, LYS222L, LYS39F, PHE158L, PRO198F, PRO198L, PRO226L, PRO232F, PRO51F, PRO70F, SER156L, SER220L, SER69F, SER73F, THR160L, THR163L, THR203L, THR37F, THR42F, THR48F, THR58F, THR72F, TYR223L, VAL231L
• G-H: ALA67G, ALA67H, ARG181G, ARG181H, ARG63G, ARG63H, ARG74G, ARG74H, ARG75G, ARG75H, ASN142G, ASN142H, ASN173G, ASN173H, ASN180G, ASN180H, ASN79G, ASN79H, ASP175G, ASP175H, ASP25G, ASP62G, ASP62H, GLN146G, GLN146H, GLN97G, GLN97H, GLU176G, GLU176H, GLU177G, GLU177H, GLY143G, GLY143H, GLY144G, GLY144H, GLY65G, GLY65H, HIS147G, HIS147H, ILE46G, ILE46H, ILE68G, ILE68H, ILE93G, ILE93H, LEU33G, LEU33H, LEU96G, LEU96H, LEU99G, LEU99H, LYS140G, LYS140H, LYS145G, LYS145H, LYS32G, LYS32H, LYS61H, PHE149G, PHE149H, PRO29H, PRO70G, PRO70H, SER30G, SER30H, SER66G, SER66H, SER69G, SER69H, SER95G, SER95H, SER98G, SER98H, THR64G, THR64H, THR72G, THR72H, TYR178G, TYR178H, TYR179G, TYR179H, TYR26G, TYR27G, TYR28H, TYR94G, TYR94H, VAL100G, VAL100H, VAL141G, VAL141H, VAL148G, VAL148H, VAL31G, VAL31H, VAL38G, VAL38H, VAL76G, VAL76H
• I-J: ALA67I, ALA67J, ARG181I, ARG181J, ARG63I, ARG63J, ARG74I, ARG74J, ARG75I, ARG75J, ASN138I, ASN142I, ASN142J, ASN173I, ASN173J, ASN180I, ASN180J, ASN79I, ASN79J, ASP175I, ASP175J, ASP62I, ASP62J, GLN146I, GLN146J, GLN97I, GLN97J, GLU176I, GLU176J, GLU177I, GLU177J, GLY143I, GLY143J, GLY144I, GLY144J, GLY44I, GLY44J, GLY65I, GLY65J, HIS147I, HIS147J, ILE46I, ILE46J, ILE68I, ILE68J, ILE93I, ILE93J, LEU33I, LEU33J, LEU96I, LEU96J, LEU99I, LEU99J, LYS140I, LYS140J, LYS145I, LYS145J, LYS32I, LYS32J, PHE149I, PHE149J, PRO29I, PRO29J, PRO70I, PRO70J, SER30I, SER30J, SER45I, SER66I, SER66J, SER69I, SER69J, SER95I, SER95J, SER98I, SER98J, THR64I, THR64J, THR72I, THR72J, TYR178I, TYR178J, TYR179I, TYR179J, TYR26J, TYR27J, TYR28J, TYR94I, TYR94J, VAL100I, VAL100J, VAL141I, VAL141J, VAL148I, VAL148J, VAL31I, VAL31J, VAL38I, VAL38J, VAL76I, VAL76J
• I-K: ARG63I, ARG63K, SER30I, TYR28K, VAL31K
• I-L: ALA89I, ALA89L, ARG182I, ARG182L, ARG63I, ARG63L, ASN134I, ASN134L, ASN225I, ASN225L, ASN53I, ASN53L, ASN79I, ASN79L, ASN85I, ASN85L, CYS224I, CYS224L, GLU229I, GLU229L, GLU34I, GLU34L, GLU81I, GLU81L, GLY227I, GLY227L, GLY54I, GLY54L, GLY86I, GLY86L, HIS87I, HIS87L, ILE126I, ILE126L, ILE136I, ILE136L, ILE204I, ILE204L, LEU128I, LEU128L, LEU133I, LEU133L, LEU33I, LEU33L, LEU83I, LEU83L, LYS205I, LYS205L, LYS222I, LYS222L, LYS32I, LYS32L, PHE228I, PHE228L, PRO226I, PRO226L, PRO29I, SER125I, SER125L, SER30I, SER78I, SER78L, SER84I, SER84L, THR203I, THR203L, THR82I, THR82L, THR88I, THR88L, THR90I, THR90L, TRP127I, TRP127L, TYR184I, TYR184L, TYR223I, TYR223L, TYR80I, TYR80L, TYR94I, TYR94L, VAL123I, VAL123L, VAL124I, VAL124L, VAL31I, VAL31L, VAL92I, VAL92L
• J-K: ALA89J, ALA89K, ARG182J, ARG182K, ARG63J, ARG63K, ASN134J, ASN134K, ASN225J, ASN225K, ASN53J, ASN53K, ASN79J, ASN79K, ASN85J, ASN85K, CYS224J, CYS224K, GLU229J, GLU229K, GLU34J, GLU34K, GLU81J, GLU81K, GLY227J, GLY227K, GLY54J, GLY54K, GLY86J, GLY86K, HIS87J, HIS87K, ILE126J, ILE126K, ILE136J, ILE136K, ILE204J, ILE204K, LEU128J, LEU128K, LEU133J, LEU133K, LEU33J, LEU33K, LEU83J, LEU83K, LYS205J, LYS205K, LYS222J, LYS222K, LYS32J, LYS32K, LYS61J, LYS61K, PHE228J, PHE228K, PRO226J, PRO226K, PRO29J, SER125J, SER125K, SER30J, SER78J, SER78K, SER84J, SER84K, THR203J, THR203K, THR82J, THR82K, THR88J, THR88K, THR90J, THR90K, TRP127J, TRP127K, TYR184J, TYR184K, TYR223J, TYR223K, TYR26J, TYR27J, TYR28J, TYR28K, TYR80J, TYR80K, TYR94J, TYR94K, VAL123J, VAL123K, VAL124J, VAL124K, VAL31J, VAL31K, VAL92J, VAL92K
• J-L: ARG63J, ARG63L, SER30J, VAL31L
• K-L: ALA67K, ALA67L, ARG181K, ARG181L, ARG63K, ARG63L, ARG74K, ARG74L, ARG75K, ARG75L, ASN142K, ASN142L, ASN173K, ASN173L, ASN180K, ASN180L, ASP175K, ASP175L, ASP62K, ASP62L, GLN146K, GLN146L, GLN97K, GLN97L, GLU176K, GLU176L, GLU177K, GLU177L, GLY143K, GLY143L, GLY144K, GLY144L, GLY65K, GLY65L, HIS147K, HIS147L, ILE46K, ILE46L, ILE68K, ILE68L, ILE93K, ILE93L, LEU96K, LEU96L, LEU99K, LEU99L, LYS140K, LYS140L, LYS145K, LYS145L, PHE149K, PHE149L, PRO70K, PRO70L, SER66K, SER66L, SER69K, SER69L, SER95K, SER95L, SER98K, SER98L, THR101L, THR64K, THR64L, THR72K, THR72L, TYR178K, TYR178L, TYR179K, TYR179L, TYR28K, TYR94L, VAL100K, VAL100L, VAL141K, VAL141L, VAL148K, VAL148L, VAL31K, VAL31L, VAL38K, VAL38L, VAL76K, VAL76L