1LT6

heat-labile enterotoxin b-pentamer complexed with metanitrophenylgalactoside

• Total interactions analyzed: 45
• Total true interactions: 20
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 107
  • Norm. En. per Res.: -5.0086
• Hub Node: D(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
D-E	-93.5517	-80.6628	-361.708	-535.9225	107	26	4	14268	4	42	43
D-F	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	1
D-G	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	1
D-H	-91.4769	-74.8676	-349.85	-516.1945	107	23	5	13779	5	43	44
E-F	-84.8096	-87.8038	-333.624	-506.2374	106	20	5	13346	6	38	43
E-G	0.0	0.0	-0.0028	-0.0028	2	0	0	3	0	0	1
E-H	0.0	0.0	-0.0006	-0.0006	2	0	0	2	0	0	1
F-G	-87.3087	-75.0664	-337.867	-500.242	106	22	5	13870	5	40	44
F-H	0.0	0.0	-0.0013	-0.0013	2	0	0	4	0	0	1
G-H	-66.3639	-71.8329	-332.368	-470.5649	109	23	5	13829	4	42	43
L-M	-95.8163	-73.8684	-365.736	-535.4207	110	28	5	14391	4	44	44
L-N	0.0	0.0	-0.0013	-0.0013	2	0	0	4	0	0	1
L-O	0.0	0.0	-0.0014	-0.0014	2	0	0	4	0	0	1
L-P	-70.3794	-88.0191	-316.204	-474.6024	109	20	5	13558	5	42	45
M-N	-83.3076	-92.0737	-347.191	-522.5724	107	27	5	13981	5	41	44
M-O	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	0	1
M-P	0.0	0.0	-0.0031	-0.0031	2	0	0	3	0	0	1
N-O	-88.6477	-79.7204	-359.518	-527.8861	109	20	5	14030	5	41	43
N-P	0.0	0.0	-0.0058	-0.0058	2	0	0	6	0	0	1
O-P	-90.869	-74.8299	-336.364	-502.0629	106	28	5	13590	5	43	44

Interface residues

• D-E: ALA1D, ALA32E, ALA64D, ALA64E, ALA97D, ALA98D, ARG35E, ARG67D, ARG67E, ARG73D, ARG73E, ASN103D, ASN94E, ASP59D, ASP70D, ASP70E, ASP83D, CYS86D, CYS9D, GLN3D, GLN49D, GLN49E, GLN56D, GLN61D, GLU11D, GLU29E, GLU36E, GLU51D, GLU51E, GLU66D, GLU66E, GLU79D, GLU79E, GLU7D, GLY33E, GLY45E, HIS57D, ILE24E, ILE39E, ILE40E, ILE58D, ILE5D, ILE65D, ILE65E, ILE74D, ILE74E, ILE82D, ILE96D, ILE99D, LEU25E, LEU72D, LEU72E, LEU77D, LEU77E, LEU85D, LEU8D, LYS102D, LYS23E, LYS34E, LYS43E, LYS62D, LYS62E, LYS63D, LYS63E, LYS69D, LYS69E, LYS81D, LYS84D, LYS91E, MET101D, MET31E, MET37E, MET68D, MET68E, PHE48E, PRO2D, PRO53D, PRO53E, PRO93E, SER100D, SER26E, SER30E, SER60D, SER95D, SER95E, THR15D, THR28E, THR41E, THR47E, THR4D, THR6D, THR71D, THR71E, THR75D, THR78D, THR78E, THR80D, THR92E, TRP88D, TYR12D, TYR27E, TYR76D, TYR76E, VAL38E, VAL50D, VAL50E, VAL52E
• D-F: ARG67D, ARG73F
• D-G: ARG67G, ARG73D
• D-H: ALA1H, ALA32D, ALA64D, ALA64H, ALA97H, ALA98H, ARG35D, ARG67D, ARG67H, ARG73D, ARG73H, ASN103H, ASN94D, ASP59H, ASP70D, ASP70H, ASP83H, CYS86H, CYS9H, GLN3H, GLN49D, GLN49H, GLN56H, GLN61H, GLU11H, GLU29D, GLU36D, GLU51D, GLU51H, GLU66D, GLU66H, GLU79D, GLU79H, GLU7H, GLY33D, GLY45D, HIS57H, ILE24D, ILE39D, ILE40D, ILE58H, ILE5H, ILE65D, ILE65H, ILE74D, ILE74H, ILE82H, ILE96H, ILE99H, LEU25D, LEU72D, LEU72H, LEU77D, LEU77H, LEU85H, LEU8H, LYS102H, LYS23D, LYS34D, LYS43D, LYS62D, LYS62H, LYS63D, LYS63H, LYS69D, LYS69H, LYS81H, LYS84H, LYS91D, MET101H, MET31D, MET37D, MET68D, MET68H, PHE48D, PRO2H, PRO53D, PRO53H, PRO93D, SER100H, SER26D, SER30D, SER60H, SER95D, SER95H, THR15H, THR28D, THR41D, THR47D, THR4H, THR6H, THR71D, THR71H, THR75H, THR78D, THR78H, THR80H, THR92D, TRP88H, TYR12H, TYR27D, TYR76D, TYR76H, VAL38D, VAL50D, VAL50H, VAL52D
• E-F: ALA1E, ALA32F, ALA64E, ALA64F, ALA97E, ALA98E, ARG35F, ARG67E, ARG67F, ARG73E, ARG73F, ASN103E, ASN94F, ASP59E, ASP70E, ASP70F, ASP83E, CYS86E, CYS9E, GLN3E, GLN49E, GLN49F, GLN61E, GLU11E, GLU29F, GLU36F, GLU46F, GLU51E, GLU51F, GLU66E, GLU66F, GLU79E, GLU79F, GLU7E, GLY33F, GLY45F, HIS57E, ILE24F, ILE39F, ILE40F, ILE58E, ILE5E, ILE65E, ILE65F, ILE74E, ILE74F, ILE82E, ILE96E, ILE99E, LEU25F, LEU72E, LEU72F, LEU77E, LEU77F, LEU85E, LEU8E, LYS102E, LYS23F, LYS34F, LYS43F, LYS62E, LYS63E, LYS63F, LYS69E, LYS69F, LYS81E, LYS84E, LYS91F, MET101E, MET31F, MET37F, MET68E, MET68F, PHE48F, PRO2E, PRO53E, PRO53F, PRO93F, SER100E, SER26F, SER30F, SER60E, SER95E, THR15E, THR28F, THR41F, THR47F, THR4E, THR6E, THR71E, THR71F, THR75E, THR78E, THR78F, THR80E, THR92F, TRP88E, TYR12E, TYR27F, TYR76E, TYR76F, VAL38F, VAL50E, VAL50F, VAL52E, VAL52F
• E-G: ARG67E, ARG73G
• E-H: ARG67H, ARG73E
• F-G: ALA1F, ALA32G, ALA64F, ALA64G, ALA97F, ALA98F, ARG35G, ARG67F, ARG67G, ARG73F, ARG73G, ASN103F, ASP59F, ASP70F, ASP70G, ASP83F, CYS86F, CYS9F, GLN3F, GLN49F, GLN49G, GLN56F, GLN61F, GLU11F, GLU29G, GLU36G, GLU46G, GLU51F, GLU51G, GLU66F, GLU66G, GLU79G, GLU7F, GLY33G, GLY45G, HIS57F, ILE24G, ILE39G, ILE40G, ILE58F, ILE5F, ILE65F, ILE65G, ILE74F, ILE74G, ILE82F, ILE96F, ILE99F, LEU25G, LEU72F, LEU72G, LEU77F, LEU77G, LEU85F, LEU8F, LYS102F, LYS23G, LYS34G, LYS62F, LYS62G, LYS63F, LYS63G, LYS69F, LYS69G, LYS81F, LYS84F, LYS91G, MET101F, MET31G, MET37G, MET68F, MET68G, PHE42G, PHE48G, PRO2F, PRO53G, PRO93G, SER100F, SER26G, SER30G, SER60F, SER95F, SER95G, THR15F, THR28G, THR41G, THR47G, THR4F, THR6F, THR71F, THR71G, THR75F, THR78F, THR78G, THR80F, THR92G, TRP88F, TYR12F, TYR27G, TYR76G, VAL38F, VAL38G, VAL50F, VAL50G, VAL52G, VAL87F
• F-H: ARG67F, ARG73H
• G-H: ALA1G, ALA32H, ALA64G, ALA64H, ALA97G, ALA98G, ARG13G, ARG35H, ARG67G, ARG67H, ARG73G, ARG73H, ASN103G, ASN94H, ASP59G, ASP70G, ASP70H, ASP83G, CYS86G, CYS9G, GLN3G, GLN49G, GLN49H, GLN56G, GLN61G, GLU11G, GLU29H, GLU36H, GLU46H, GLU51G, GLU51H, GLU66G, GLU66H, GLU79G, GLU79H, GLU7G, GLY33H, GLY45H, HIS57G, ILE24H, ILE39H, ILE40H, ILE58G, ILE5G, ILE65G, ILE65H, ILE74G, ILE74H, ILE82G, ILE96G, ILE99G, LEU25H, LEU72G, LEU72H, LEU77G, LEU77H, LEU85G, LEU8G, LYS102G, LYS23H, LYS34H, LYS43H, LYS62G, LYS62H, LYS63G, LYS63H, LYS69G, LYS69H, LYS81G, LYS84G, LYS91H, MET101G, MET31H, MET37H, MET68G, MET68H, PHE48H, PRO2G, PRO53G, PRO53H, PRO93H, SER100G, SER26H, SER30H, SER60G, SER95G, THR15G, THR28H, THR41H, THR47H, THR4G, THR6G, THR71G, THR71H, THR75G, THR78G, THR78H, THR80G, THR92H, TRP88G, TYR12G, TYR27H, TYR76G, TYR76H, VAL38H, VAL50G, VAL50H, VAL52G, VAL52H
• L-M: ALA1L, ALA32M, ALA64L, ALA64M, ALA97L, ALA98L, ARG35M, ARG67L, ARG67M, ARG73L, ARG73M, ASN103L, ASN94M, ASP59L, ASP70L, ASP70M, ASP83L, CYS86L, CYS9L, GLN3L, GLN49L, GLN49M, GLN56L, GLN61L, GLU11L, GLU29M, GLU36M, GLU51L, GLU51M, GLU66L, GLU66M, GLU79L, GLU79M, GLU7L, GLY33M, HIS57L, ILE24M, ILE39M, ILE40M, ILE58L, ILE5L, ILE65L, ILE65M, ILE74L, ILE74M, ILE82L, ILE96L, ILE99L, LEU25M, LEU72L, LEU72M, LEU77L, LEU77M, LEU85L, LEU8L, LYS102L, LYS23M, LYS34M, LYS43M, LYS62L, LYS62M, LYS63L, LYS63M, LYS69L, LYS69M, LYS81L, LYS81M, LYS84L, LYS91M, MET101L, MET31M, MET37M, MET68L, MET68M, PHE42M, PHE48M, PRO2L, PRO53L, PRO53M, PRO93M, SER100L, SER26M, SER30M, SER60L, SER95L, SER95M, THR15L, THR28M, THR41M, THR47M, THR4L, THR6L, THR71L, THR71M, THR75L, THR75M, THR78L, THR78M, THR80L, THR92M, TRP88L, TYR12L, TYR27M, TYR76L, TYR76M, VAL38M, VAL50L, VAL50M, VAL52M, VAL87L
• L-N: ARG67L, ARG73N
• L-O: ARG67O, ARG73L
• L-P: ALA1P, ALA32L, ALA64L, ALA64P, ALA97P, ALA98P, ARG13P, ARG35L, ARG67L, ARG67P, ARG73L, ARG73P, ASN103P, ASN94L, ASP59P, ASP70L, ASP70P, ASP83P, CYS86P, CYS9P, GLN3P, GLN49L, GLN49P, GLN56P, GLN61P, GLU11P, GLU29L, GLU36L, GLU46L, GLU51L, GLU51P, GLU66L, GLU66P, GLU79L, GLU79P, GLU7P, GLY33L, GLY45L, HIS57P, ILE24L, ILE39L, ILE40L, ILE58P, ILE5P, ILE65L, ILE65P, ILE74L, ILE74P, ILE82P, ILE96P, ILE99P, LEU25L, LEU72L, LEU72P, LEU77L, LEU77P, LEU85P, LEU8P, LYS102P, LYS23L, LYS34L, LYS62L, LYS62P, LYS63L, LYS63P, LYS69L, LYS69P, LYS81P, LYS84P, LYS91L, MET101P, MET31L, MET37L, MET68L, MET68P, PHE48L, PRO2P, PRO53L, PRO53P, PRO93L, SER100P, SER26L, SER30L, SER60P, SER95L, SER95P, THR15P, THR28L, THR41L, THR47L, THR4P, THR6P, THR71L, THR71P, THR75P, THR78L, THR78P, THR80P, THR92L, TRP88P, TYR12P, TYR27L, TYR76L, TYR76P, VAL38L, VAL50L, VAL50P, VAL52L, VAL52P
• M-N: ALA1M, ALA32N, ALA64M, ALA64N, ALA97M, ALA98M, ARG35N, ARG67M, ARG67N, ARG73M, ARG73N, ASN103M, ASN94N, ASP59M, ASP70M, ASP70N, ASP83M, CYS86M, CYS9M, GLN3M, GLN49M, GLN49N, GLN56M, GLN61M, GLU11M, GLU29N, GLU36N, GLU46N, GLU51M, GLU51N, GLU66M, GLU66N, GLU79N, GLU7M, GLY33N, GLY45N, HIS57M, ILE24N, ILE39N, ILE40N, ILE58M, ILE5M, ILE65M, ILE65N, ILE74M, ILE74N, ILE82M, ILE96M, ILE99M, LEU25N, LEU72M, LEU72N, LEU77M, LEU77N, LEU85M, LEU8M, LYS102M, LYS23N, LYS34N, LYS43N, LYS62M, LYS62N, LYS63M, LYS63N, LYS69M, LYS69N, LYS81M, LYS84M, LYS91N, MET101M, MET31N, MET37N, MET68M, MET68N, PHE48N, PRO2M, PRO53M, PRO53N, PRO93N, SER100M, SER26N, SER30N, SER60M, SER95M, SER95N, THR15M, THR28N, THR41N, THR47N, THR4M, THR6M, THR71M, THR71N, THR75M, THR78M, THR78N, THR80M, THR92N, TRP88M, TYR12M, TYR27N, TYR76N, VAL38N, VAL50M, VAL50N, VAL52M, VAL52N
• M-O: ARG67M, ARG73O
• M-P: ARG67P, ARG73M
• N-O: ALA1N, ALA32O, ALA64N, ALA64O, ALA97N, ALA98N, ARG35O, ARG67N, ARG67O, ARG73N, ARG73O, ASN103N, ASN94O, ASP59N, ASP70N, ASP70O, ASP83N, CYS86N, CYS9N, GLN3N, GLN49N, GLN49O, GLN56N, GLN61N, GLU11N, GLU29O, GLU36O, GLU46O, GLU51N, GLU51O, GLU66N, GLU66O, GLU79N, GLU79O, GLU7N, GLY33O, GLY45O, HIS57N, ILE24O, ILE39O, ILE40O, ILE58N, ILE5N, ILE65N, ILE65O, ILE74N, ILE74O, ILE82N, ILE96N, ILE99N, LEU25O, LEU72N, LEU72O, LEU77N, LEU77O, LEU85N, LEU8N, LYS102N, LYS23O, LYS34O, LYS43O, LYS62N, LYS62O, LYS63N, LYS63O, LYS69N, LYS69O, LYS81N, LYS84N, LYS91O, MET101N, MET31O, MET37O, MET68N, MET68O, PHE48O, PRO2N, PRO53N, PRO53O, PRO93O, SER100N, SER26O, SER30O, SER60N, SER95N, SER95O, THR15N, THR28O, THR41O, THR47O, THR4N, THR6N, THR71N, THR71O, THR75N, THR78N, THR78O, THR80N, THR92O, TRP88N, TYR12N, TYR27O, TYR76N, TYR76O, VAL38O, VAL50N, VAL50O, VAL52N, VAL52O
• N-P: ARG67N, ARG73P
• O-P: ALA1O, ALA32P, ALA64O, ALA64P, ALA97O, ALA98O, ARG35P, ARG67O, ARG67P, ARG73O, ARG73P, ASN103O, ASN94P, ASP59O, ASP70O, ASP70P, ASP83O, CYS86O, CYS9O, GLN3O, GLN49O, GLN49P, GLN56O, GLN61O, GLU11O, GLU29P, GLU36P, GLU51O, GLU51P, GLU66O, GLU66P, GLU79O, GLU79P, GLU7O, GLY33P, HIS57O, ILE24P, ILE39P, ILE40P, ILE58O, ILE5O, ILE65O, ILE65P, ILE74O, ILE74P, ILE82O, ILE96O, ILE99O, LEU25P, LEU72O, LEU72P, LEU77O, LEU77P, LEU85O, LEU8O, LYS102O, LYS23P, LYS34P, LYS43P, LYS62O, LYS62P, LYS63O, LYS63P, LYS69O, LYS69P, LYS81O, LYS84O, LYS91P, MET101O, MET31P, MET37P, MET68O, MET68P, PHE48P, PRO2O, PRO53O, PRO53P, PRO93P, SER100O, SER26P, SER30P, SER60O, SER95O, THR15O, THR28P, THR41P, THR47P, THR4O, THR6O, THR71O, THR71P, THR75O, THR78O, THR78P, THR80O, THR92P, TRP88O, TYR12O, TYR27P, TYR76O, TYR76P, VAL38P, VAL50O, VAL50P, VAL52O, VAL52P