1QCB

escherichia coli heat labile enterotoxin type iib b-pentamer

• Total interactions analyzed: 10
• Total true interactions: 6
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 105
  • Norm. En. per Res.: -4.5797
• Hub Node: E(2)

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	-97.1492	-20.3279	-330.159	-447.6361	107	15	10	13502	1	25	22
D-H	-60.5965	-14.0497	-321.795	-396.4413	109	10	10	13046	1	26	23
E-F	-116.7578	-1.0336	-354.457	-472.2484	108	32	11	14027	2	25	21
E-H	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
F-G	-94.8041	-0.2	-346.885	-441.8891	104	21	11	13750	1	25	23
G-H	-91.7249	-38.5684	-350.579	-480.8723	105	15	11	13486	4	24	22

Interface residues

• D-E: ALA15D, ALA2D, ALA52D, ALA52E, ALA62D, ALA62E, ALA68D, ALA68E, ALA70D, ALA71D, ALA71E, ALA82D, ALA93D, ALA98D, ARG12D, ARG48D, ARG48E, ARG51D, ARG51E, ARG65D, ARG65E, ARG77D, ASN11D, ASN31E, ASN32E, ASN33E, ASN58D, ASN58E, ASN79D, ASN9D, ASP29E, ASP35E, ASP54D, ASP54E, ASP57D, ASP8D, CYS10D, CYS81D, GLN4D, GLU19D, GLU22E, GLU63D, GLU95D, GLU97D, GLU99D, GLY1D, GLY20D, GLY36E, GLY44E, GLY45E, GLY75E, ILE27E, ILE30E, ILE49D, ILE49E, ILE67D, ILE91D, ILE94D, LEU23E, LEU73D, LEU73E, LEU96D, LYS25E, LYS53E, LYS66D, LYS66E, LYS7D, MET37E, MET60D, MET64D, MET69D, MET69E, MET76D, MET80D, PHE5D, PHE6D, PRO56D, PRO88E, SER28E, SER3D, SER41E, SER42E, SER50D, SER50E, SER74D, SER74E, SER83D, SER87E, THR13D, THR14D, THR24E, THR34E, THR43E, THR61D, THR61E, TRP47E, TRP92D, TYR26E, TYR38E, TYR55D, VAL39E, VAL40E, VAL46E, VAL59D, VAL72E, VAL78D, VAL90D
• D-H: ALA15H, ALA2H, ALA52D, ALA52H, ALA62D, ALA62H, ALA68D, ALA68H, ALA70D, ALA70H, ALA71D, ALA71H, ALA93H, ALA98H, ARG12H, ARG48D, ARG51D, ARG51H, ARG65D, ARG65H, ARG77H, ASN11H, ASN31D, ASN32D, ASN33D, ASN58D, ASN58H, ASN79H, ASN9H, ASP29D, ASP35D, ASP54D, ASP54H, ASP57D, ASP57H, ASP8H, CYS10H, CYS81H, GLN4H, GLU19H, GLU22D, GLU63H, GLU95H, GLU97H, GLU99H, GLY1H, GLY20H, GLY36D, GLY44D, GLY45D, GLY75D, GLY75H, ILE27D, ILE30D, ILE49D, ILE49H, ILE67H, ILE91H, ILE94H, LEU23D, LEU73D, LEU73H, LEU96H, LYS25D, LYS53D, LYS53H, LYS66D, LYS66H, LYS7H, MET37D, MET60H, MET64H, MET69D, MET69H, MET76H, MET80H, PHE5H, PHE6H, PRO56H, PRO88D, SER28D, SER3H, SER41D, SER42D, SER50D, SER50H, SER74D, SER74H, SER83H, SER87D, THR13H, THR14H, THR24D, THR34D, THR43D, THR61D, THR61H, TRP47D, TRP92H, TYR26D, TYR38D, TYR55H, VAL39D, VAL40D, VAL46D, VAL59H, VAL72D, VAL78H, VAL90H
• E-F: ALA15E, ALA2E, ALA52E, ALA52F, ALA62E, ALA62F, ALA68E, ALA68F, ALA70E, ALA70F, ALA71E, ALA71F, ALA82E, ALA93E, ALA98E, ARG12E, ARG48F, ARG51E, ARG51F, ARG65E, ARG65F, ARG77E, ASN11E, ASN31F, ASN32F, ASN33F, ASN58E, ASN58F, ASN79E, ASN9E, ASP29F, ASP35F, ASP54E, ASP54F, ASP57E, ASP8E, CYS10E, CYS81E, GLN4E, GLU19E, GLU22F, GLU63E, GLU95E, GLU97E, GLU99E, GLY1E, GLY20E, GLY36F, GLY44F, GLY45F, GLY75F, ILE27F, ILE30F, ILE49E, ILE49F, ILE67E, ILE91E, ILE94E, LEU23F, LEU73E, LEU73F, LEU96E, LYS25F, LYS53E, LYS53F, LYS66E, LYS66F, LYS7E, MET37F, MET60E, MET64E, MET69E, MET69F, MET76E, MET80E, PHE5E, PHE6E, PRO56E, PRO88F, SER28F, SER3E, SER41F, SER42F, SER50E, SER50F, SER74E, SER74F, SER83E, SER87F, THR13E, THR14E, THR24F, THR34F, THR43F, THR61E, THR61F, TRP47F, TRP92E, TYR26F, TYR38F, TYR55E, VAL39F, VAL40F, VAL46F, VAL59E, VAL72F, VAL78E, VAL90E
• E-H: LYS66H, MET69E
• F-G: ALA15F, ALA2F, ALA52F, ALA52G, ALA62F, ALA62G, ALA68F, ALA68G, ALA70F, ALA70G, ALA71F, ALA71G, ALA82F, ALA93F, ALA98F, ARG12F, ARG48G, ARG51F, ARG51G, ARG65F, ARG65G, ARG77F, ASN11F, ASN31G, ASN32G, ASN33G, ASN58F, ASN58G, ASN79F, ASN9F, ASP29G, ASP35G, ASP54F, ASP54G, ASP57F, ASP8F, CYS10F, CYS81F, GLN4F, GLU22G, GLU63F, GLU95F, GLU97F, GLU99F, GLY1F, GLY36G, GLY44G, GLY45G, GLY75G, ILE27G, ILE30G, ILE49F, ILE49G, ILE67F, ILE91F, ILE94F, LEU23G, LEU73F, LEU73G, LEU96F, LYS25G, LYS53G, LYS66F, LYS66G, LYS7F, MET37G, MET60F, MET64F, MET69F, MET69G, MET76F, MET80F, PHE5F, PHE6F, PRO56F, PRO88G, SER28G, SER3F, SER41G, SER42G, SER50F, SER50G, SER74F, SER74G, SER83F, SER87G, THR13F, THR14F, THR24G, THR34G, THR61F, THR61G, TRP47G, TRP92F, TYR26G, TYR38G, TYR55F, VAL39G, VAL40G, VAL46G, VAL59F, VAL72G, VAL78F, VAL90F
• G-H: ALA15G, ALA2G, ALA52G, ALA52H, ALA62G, ALA62H, ALA68G, ALA68H, ALA70G, ALA70H, ALA71G, ALA71H, ALA82G, ALA93G, ALA98G, ARG12G, ARG48H, ARG51G, ARG51H, ARG65G, ARG65H, ARG77G, ASN11G, ASN31H, ASN32H, ASN33H, ASN58G, ASN58H, ASN79G, ASN9G, ASP29H, ASP35H, ASP54H, ASP57G, ASP8G, CYS10G, CYS81G, GLN4G, GLU19G, GLU22H, GLU63G, GLU95G, GLU97G, GLU99G, GLY1G, GLY20G, GLY36H, GLY44H, GLY45H, GLY75H, ILE27H, ILE30H, ILE49G, ILE49H, ILE67G, ILE91G, ILE94G, LEU23H, LEU73G, LEU73H, LEU96G, LYS25H, LYS53H, LYS66G, LYS66H, LYS7G, MET37H, MET60G, MET64G, MET69G, MET69H, MET76G, MET80G, PHE5G, PHE6G, PRO56G, PRO88H, SER28H, SER3G, SER41H, SER42H, SER50G, SER50H, SER74G, SER74H, SER83G, SER87H, THR13G, THR14G, THR24H, THR34H, THR61G, THR61H, TRP47H, TRP92G, TYR26H, TYR38H, TYR55G, VAL39H, VAL40H, VAL46H, VAL59G, VAL72H, VAL78G, VAL90G