1OZB

crystal structure of secb complexed with seca c-terminus

• Total interactions analyzed: 45
• Total true interactions: 26
• Strongest Interaction:
  • Chains: B-I
  • Int. Res.: 21
  • Norm. En. per Res.: -6.2085
• Hub Node: A(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-B	-96.4053	-69.8671	-320.156	-486.4284	110	18	12	12690	7	16	24
A-C	0.0	8.5398	-116.316	-107.7762	64	6	0	5209	0	4	4
A-D	0.0	0.0	-17.7196	-17.7196	24	2	0	925	0	2	1
A-G	-5.053	-24.0795	-46.3269	-75.4595	27	1	0	2132	0	7	5
A-H	0.0	0.0	-0.0563	-0.0563	5	0	0	18	0	0	2
A-I	-28.7778	-91.9654	-89.1438	-209.887	43	10	0	3581	4	22	10
B-C	-32.6954	-28.0082	-39.9185	-100.6221	37	8	1	2127	0	2	3
B-D	0.0	11.2145	-131.564	-120.3495	68	9	1	5502	0	4	4
B-F	-7.1344	0.0	-13.8768	-21.0112	26	1	0	1009	0	8	5
B-G	0.0	0.0	-47.5726	-47.5726	22	1	1	1647	0	3	1
B-H	0.0	-25.9895	-36.809	-62.7985	27	0	0	1836	0	7	5
B-I	-20.7446	-71.5157	-38.1177	-130.378	21	5	0	1280	6	18	14
C-D	-91.9422	-43.0811	-300.91	-435.9333	109	26	12	12593	3	16	24
C-E	0.0	-20.0619	-39.5788	-59.6407	26	1	0	1799	0	7	5
C-F	0.0	0.0	-49.8897	-49.8897	20	4	0	1668	0	4	1
C-G	0.0	0.0	-15.1701	-15.1701	28	0	0	1035	0	8	6
C-J	-19.0951	-56.4332	-30.6928	-106.2211	20	5	0	1231	6	17	14
D-E	0.0	0.0	-0.0147	-0.0147	4	0	0	3	0	0	2
D-F	-3.4552	-20.2964	-38.1399	-61.8915	27	0	0	1756	0	7	4
D-J	-34.2785	-87.8006	-88.8929	-210.972	43	13	1	3610	5	24	10
E-F	-98.4057	-40.7249	-293.675	-432.8056	107	20	11	12501	3	16	24
E-G	0.0	10.9847	-137.777	-126.7923	70	9	1	5594	0	4	4
E-H	0.0	0.0	-20.3055	-20.3055	25	2	0	952	0	2	1
F-G	-36.0323	-28.6382	-35.7149	-100.3854	38	6	1	2068	0	2	3
F-H	0.0	7.0213	-115.169	-108.1477	65	10	0	5157	0	4	4
G-H	-97.7528	-62.7737	-284.217	-444.7435	106	29	10	12217	7	16	24

Interface residues

• A-B: ALA119A, ALA119B, ALA32A, ALA32B, ALA90A, ALA90B, ARG120A, ARG120B, ARG129A, ARG129B, ARG22A, ARG22B, ASN125A, ASN125B, ASN128A, ASN128B, ASN34A, ASN34B, ASP27A, ASP27B, CYS85A, CYS85B, GLN21A, GLN21B, GLN40A, GLN40B, GLN57A, GLN89A, GLN89B, GLU121A, GLU121B, GLU31A, GLU31B, GLU64A, GLU64B, GLU86A, GLU86B, GLY130A, GLY130B, GLY59A, GLY91A, GLY91B, HIS37A, HIS37B, ILE23A, ILE23B, ILE38A, ILE38B, ILE84A, ILE84B, LEU122A, LEU122B, LEU126A, LEU126B, LEU35A, LEU35B, LEU62A, LEU62B, LYS26A, LYS26B, LYS88A, LYS88B, PHE132A, PHE132B, PHE30A, PHE30B, PHE39A, PHE39B, PHE83A, PHE83B, PHE93A, PHE93B, PRO117A, PRO117B, PRO133A, PRO133B, PRO33A, PRO33B, PRO36A, PRO36B, SER124A, SER124B, SER29A, SER29B, THR131A, THR131B, THR56A, THR56B, TYR118A, TYR118B, TYR24A, TYR24B, TYR63A, TYR63B, VAL123A, VAL123B, VAL127A, VAL127B, VAL25A, VAL25B, VAL28A, VAL28B, VAL58A, VAL58B, VAL66A, VAL66B, VAL87A, VAL87B, VAL92A, VAL92B
• A-C: ALA119A, ALA119C, ALA134A, ARG120A, ARG120C, ARG129A, ARG129C, ARG22A, ARG22C, ASN113A, ASN113C, ASN125A, ASN125C, ASN128A, ASN136A, ASN136C, ASN141C, CYS111C, GLN110C, GLN19A, GLN19C, GLN21A, GLN21C, GLN89A, GLN89C, GLU121A, GLU121C, GLY91C, ILE20A, ILE20C, ILE23A, ILE23C, LEU115A, LEU115C, LEU122A, LEU122C, LEU135A, LEU137A, LEU137C, LEU18C, MET114A, MET114C, PHE116A, PHE116C, PHE142C, PHE93A, PHE93C, PRO112C, PRO117A, PRO117C, PRO133A, PRO139A, PRO139C, SER124A, SER138A, SER138C, TYR118A, TYR118C, TYR24A, TYR24C, VAL123A, VAL140C, VAL17C, VAL92C
• A-D: ALA134A, ALA134D, ARG129A, ARG129D, ASN125A, ASN125D, ASN128A, ASN128D, ASN136A, ASN136D, GLU121A, GLU121D, GLY130A, GLY130D, LEU126A, LEU135D, PHE132D, PRO133A, PRO133D, SER124A, SER124D, THR131A, THR131D, VAL127D
• A-G: ARG22A, ASP60A, ASP77G, ASP80G, GLN19A, GLN21A, GLN40G, GLN41G, GLU42G, GLU64A, GLU76G, GLY59A, GLY79G, HIS37G, ILE20A, ILE23A, ILE38G, LEU62A, LEU75G, LYS44G, PHE39G, SER78G, THR94A, TRP43G, TYR24A, VAL58A, VAL92A
• A-H: ASP60A, GLY59A, GLY59H, VAL58A, VAL58H
• A-I: ALA25I, ALA32A, ALA82A, ARG23I, ARG4I, ASN34A, ASN5I, ASP27A, ASP80A, CYS85A, GLN41A, GLU31A, GLU6I, GLU72A, GLU86A, GLY21I, GLY3I, GLY79A, HIS18I, HIS37A, ILE2I, ILE38A, ILE84A, LEU35A, LYS15I, LYS17I, LYS26A, LYS88A, PHE30A, PHE83A, PRO33A, SER22I, SER29A, SER70A, SER78A, THR73A, THR74A, TYR16I, VAL24I, VAL28A, VAL71A, VAL81A, VAL87A
• B-C: ALA134B, ALA134C, ARG120B, ARG120C, ARG129B, ARG129C, ASN125B, ASN125C, ASN128B, ASN128C, ASN136B, ASN136C, GLU121B, GLU121C, GLY130B, GLY130C, LEU122B, LEU122C, LEU135B, LEU135C, LEU137B, PHE132B, PHE132C, PRO117B, PRO117C, PRO133B, PRO133C, SER124B, SER124C, THR131B, THR131C, TYR118B, TYR118C, VAL123B, VAL123C, VAL127B, VAL127C
• B-D: ALA119B, ALA119D, ALA134D, ARG120B, ARG120D, ARG129B, ARG129D, ARG22B, ARG22D, ASN113B, ASN113D, ASN125B, ASN125D, ASN128D, ASN136B, ASN136D, ASN141B, CYS106B, CYS111B, GLN110B, GLN19B, GLN19D, GLN21B, GLN21D, GLN89B, GLN89D, GLU121B, GLU121D, GLY91B, ILE20B, ILE20D, ILE23B, ILE23D, LEU115B, LEU115D, LEU122B, LEU122D, LEU135D, LEU137B, LEU137D, LEU18B, LEU18D, MET114B, MET114D, PHE116B, PHE116D, PHE142B, PHE93B, PHE93D, PRO112B, PRO117B, PRO117D, PRO139B, PRO139D, SER124B, SER124D, SER138B, SER138D, TYR118B, TYR118D, TYR24B, TYR24D, VAL123D, VAL140B, VAL140D, VAL17B, VAL25D, VAL92B
• B-F: ALA134B, ALA134F, ARG120B, ARG120F, ASN136B, ASN136F, ASP77B, ASP77F, GLU42B, GLU42F, GLU76B, GLU76F, LEU135B, LEU135F, LEU137B, LEU137F, LEU47B, LEU47F, LYS44B, LYS44F, PRO139B, PRO139F, PRO45B, PRO45F, SER138B, SER138F
• B-G: ASN34B, GLN40B, GLN40G, GLN41B, GLN41G, GLU42B, GLU42G, HIS37B, HIS37G, ILE38B, ILE38G, LEU35B, LEU35G, LYS44B, LYS44G, PHE132G, PHE39B, PHE39G, PRO36B, PRO36G, THR131B, THR131G
• B-H: ARG22H, ASP60H, ASP77B, ASP80B, GLN19H, GLN21H, GLN40B, GLN41B, GLU42B, GLU64H, GLU76B, GLY59H, GLY79B, HIS37B, ILE20H, ILE23H, ILE38B, LEU62H, LEU75B, LYS44B, PHE39B, SER78B, THR94H, TRP43B, TYR24H, VAL58H, VAL92H
• B-I: ALA32B, ARG4I, ASN5I, ASP27B, CYS85B, GLU31B, GLU6I, GLU86B, HIS18I, ILE84B, LYS15I, LYS17I, LYS26B, LYS88B, PHE30B, PRO7I, SER29B, SER70B, VAL24I, VAL28B, VAL87B
• C-D: ALA119C, ALA119D, ALA32C, ALA32D, ALA82D, ALA90C, ALA90D, ARG120D, ARG129C, ARG129D, ARG22C, ARG22D, ASN125C, ASN125D, ASN128C, ASN128D, ASN34C, ASN34D, ASP27C, ASP27D, CYS85C, CYS85D, GLN21C, GLN21D, GLN40C, GLN40D, GLN57C, GLN89C, GLN89D, GLU121C, GLU121D, GLU31C, GLU31D, GLU64C, GLU64D, GLU86C, GLU86D, GLY130C, GLY130D, GLY59C, GLY59D, GLY91C, GLY91D, HIS37C, HIS37D, ILE23C, ILE23D, ILE38C, ILE38D, ILE84C, ILE84D, LEU122C, LEU122D, LEU126C, LEU126D, LEU35C, LEU35D, LEU62C, LEU62D, LYS26C, LYS26D, LYS88C, LYS88D, PHE132C, PHE132D, PHE30C, PHE30D, PHE39C, PHE39D, PHE83C, PHE83D, PHE93C, PHE93D, PRO117D, PRO133C, PRO133D, PRO33C, PRO33D, PRO36C, PRO36D, SER124D, SER29C, SER29D, THR131C, THR131D, THR56C, THR56D, TYR118C, TYR118D, TYR24C, TYR24D, TYR63C, TYR63D, VAL123C, VAL123D, VAL127C, VAL127D, VAL25C, VAL25D, VAL28C, VAL28D, VAL58C, VAL58D, VAL66C, VAL66D, VAL87C, VAL87D, VAL92C, VAL92D
• C-E: ARG22E, ASP60E, ASP77C, ASP80C, GLN19E, GLN21E, GLN40C, GLN41C, GLU42C, GLU76C, GLY59E, GLY79C, HIS37C, ILE20E, ILE23E, ILE38C, LEU62E, LEU75C, LYS44C, PHE39C, SER78C, THR94E, TRP43C, TYR24E, VAL58E, VAL92E
• C-F: ASN34C, GLN40C, GLN40F, GLN41C, GLN41F, GLU42C, GLU42F, HIS37C, HIS37F, ILE38C, ILE38F, LEU35C, LEU35F, LYS44C, PHE39C, PHE39F, PRO36C, PRO36F, THR131C, THR131F
• C-G: ALA134C, ALA134G, ARG120C, ARG120G, ASN136C, ASN136G, ASP77C, ASP77G, GLU42C, GLU42G, GLU76C, GLU76G, LEU135C, LEU135G, LEU137C, LEU137G, LEU47C, LEU47G, LYS44C, LYS44G, LYS46C, LYS46G, PRO139C, PRO139G, PRO45C, PRO45G, SER138C, SER138G
• C-J: ALA32C, ARG4J, ASN5J, ASP27C, CYS85C, GLU31C, GLU6J, GLU86C, HIS18J, ILE84C, LYS15J, LYS17J, LYS26C, LYS88C, PHE30C, PRO7J, SER29C, SER70C, VAL28C, VAL87C
• D-E: GLY59D, GLY59E, VAL58D, VAL58E
• D-F: ARG22D, ASP60D, ASP77F, ASP80F, GLN19D, GLN21D, GLN40F, GLN41F, GLU42F, GLU64D, GLU76F, GLY59D, GLY79F, HIS37F, ILE20D, ILE23D, ILE38F, LEU62D, LEU75F, LYS44F, PHE39F, SER78F, THR94D, TRP43F, TYR24D, VAL58D, VAL92D
• D-J: ALA25J, ALA32D, ALA82D, ARG23J, ARG4J, ASN34D, ASN5J, ASP27D, ASP80D, CYS85D, GLN41D, GLU31D, GLU6J, GLU72D, GLU86D, GLY21J, GLY3J, GLY79D, HIS18J, HIS37D, ILE2J, ILE38D, ILE84D, LEU35D, LYS15J, LYS17J, LYS26D, LYS88D, PHE30D, PHE83D, PRO33D, SER22J, SER29D, SER70D, SER78D, THR73D, THR74D, TYR16J, VAL24J, VAL28D, VAL71D, VAL81D, VAL87D
• E-F: ALA119E, ALA119F, ALA32E, ALA32F, ALA90E, ALA90F, ARG120E, ARG129E, ARG129F, ARG22E, ARG22F, ASN125E, ASN125F, ASN128E, ASN128F, ASN34E, ASN34F, ASP27E, ASP27F, CYS85E, CYS85F, GLN21E, GLN21F, GLN40E, GLN40F, GLN89E, GLN89F, GLU121E, GLU121F, GLU31E, GLU31F, GLU64E, GLU64F, GLU86E, GLU86F, GLY130E, GLY130F, GLY59F, GLY91E, GLY91F, HIS37E, HIS37F, ILE20F, ILE23E, ILE23F, ILE38E, ILE38F, ILE84E, ILE84F, LEU122E, LEU122F, LEU126E, LEU126F, LEU35E, LEU35F, LEU62E, LEU62F, LYS26E, LYS26F, LYS88E, LYS88F, PHE132E, PHE132F, PHE30E, PHE30F, PHE39E, PHE39F, PHE83E, PHE83F, PHE93E, PHE93F, PRO117E, PRO133E, PRO133F, PRO33E, PRO33F, PRO36E, PRO36F, SER124E, SER29E, SER29F, THR131E, THR131F, THR56E, THR56F, TYR118E, TYR118F, TYR24E, TYR24F, TYR63E, TYR63F, VAL123E, VAL127E, VAL127F, VAL25E, VAL25F, VAL28E, VAL28F, VAL58E, VAL58F, VAL65F, VAL66E, VAL66F, VAL87E, VAL87F, VAL92E, VAL92F
• E-G: ALA119E, ALA119G, ALA134E, ALA90G, ARG120E, ARG120G, ARG129E, ARG129G, ARG22E, ARG22G, ASN113E, ASN113G, ASN125E, ASN125G, ASN128E, ASN136E, ASN136G, ASN141G, CYS106G, CYS111G, GLN110G, GLN19E, GLN19G, GLN21E, GLN21G, GLN89E, GLN89G, GLU121E, GLU121G, GLY91G, ILE20E, ILE20G, ILE23E, ILE23G, ILE95G, LEU115E, LEU115G, LEU122E, LEU122G, LEU135E, LEU137E, LEU137G, LEU18G, MET114E, MET114G, PHE116E, PHE116G, PHE142G, PHE93E, PHE93G, PRO112G, PRO117E, PRO117G, PRO133E, PRO139E, PRO139G, SER124E, SER138E, SER138G, TYR118E, TYR118G, TYR24E, TYR24G, VAL123E, VAL127E, VAL140E, VAL140G, VAL17G, VAL25E, VAL92G
• E-H: ALA134E, ALA134H, ARG129E, ARG129H, ASN125E, ASN125H, ASN128E, ASN128H, ASN136E, ASN136H, GLU121E, GLU121H, GLY130E, LEU126H, LEU135E, LEU135H, PHE132E, PRO133E, PRO133H, SER124E, SER124H, THR131E, THR131H, VAL127E, VAL127H
• F-G: ALA134F, ALA134G, ARG120F, ARG120G, ARG129F, ARG129G, ASN125F, ASN125G, ASN128F, ASN128G, ASN136F, ASN136G, GLU121F, GLU121G, GLY130F, GLY130G, LEU122F, LEU122G, LEU126F, LEU135F, LEU135G, LEU137G, PHE132F, PHE132G, PRO117F, PRO117G, PRO133F, PRO133G, SER124F, SER124G, THR131F, THR131G, TYR118F, TYR118G, VAL123F, VAL123G, VAL127F, VAL127G
• F-H: ALA119F, ALA119H, ALA134H, ARG120F, ARG120H, ARG129F, ARG129H, ARG22F, ARG22H, ASN113F, ASN113H, ASN125F, ASN125H, ASN128H, ASN136F, ASN136H, ASN141F, ASN141H, CYS111F, GLN110F, GLN19F, GLN19H, GLN21F, GLN21H, GLN89F, GLN89H, GLU121F, GLU121H, GLY91F, ILE20F, ILE20H, ILE23F, ILE23H, LEU115F, LEU115H, LEU122F, LEU122H, LEU135H, LEU137F, LEU137H, LEU18F, MET114F, MET114H, PHE116F, PHE116H, PHE142F, PHE93F, PHE93H, PRO117F, PRO117H, PRO133H, PRO139F, PRO139H, SER124H, SER138F, SER138H, TYR118F, TYR118H, TYR24F, TYR24H, VAL123H, VAL140F, VAL140H, VAL25H, VAL92F
• G-H: ALA119G, ALA119H, ALA32G, ALA32H, ALA90G, ALA90H, ARG120G, ARG120H, ARG129G, ARG129H, ARG22G, ARG22H, ASN125G, ASN125H, ASN128G, ASN128H, ASN34G, ASN34H, ASP27G, ASP27H, CYS85G, CYS85H, GLN21G, GLN21H, GLN40G, GLN40H, GLN89G, GLN89H, GLU121G, GLU121H, GLU31G, GLU31H, GLU64G, GLU64H, GLU86G, GLU86H, GLY130G, GLY130H, GLY59G, GLY91G, GLY91H, HIS37G, HIS37H, ILE23G, ILE23H, ILE38G, ILE38H, ILE84G, ILE84H, LEU122G, LEU122H, LEU126G, LEU126H, LEU35G, LEU35H, LEU62G, LEU62H, LYS26G, LYS26H, LYS88G, LYS88H, PHE132G, PHE132H, PHE30G, PHE30H, PHE39G, PHE39H, PHE83G, PHE83H, PHE93G, PRO117G, PRO133G, PRO33G, PRO33H, PRO36G, PRO36H, SER124G, SER124H, SER29G, SER29H, THR131G, THR131H, THR56G, THR56H, TYR118G, TYR118H, TYR24G, TYR24H, TYR63G, TYR63H, VAL123G, VAL123H, VAL127G, VAL127H, VAL25G, VAL25H, VAL28G, VAL28H, VAL58G, VAL58H, VAL66G, VAL66H, VAL87G, VAL87H, VAL92G, VAL92H