1TII

escherichia coli heat labile enterotoxin type iib

• Total interactions analyzed: 21
• Total true interactions: 15
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 103
  • Norm. En. per Res.: -3.9798
• Hub Node: D(5)

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	-65.8476	16.5	-346.896	-396.2437	101	17	12	13671	0	26	22
D-G	0.0	0.0	-0.0054	-0.0054	2	0	0	5	0	0	1
D-H	-77.7083	3.854	-330.078	-403.9323	105	11	12	13282	1	22	21
D-A	0.0	0.0	-0.6485	-0.6485	10	0	0	113	0	3	3
D-C	-6.043	0.0	-51.1332	-57.1762	28	1	1	2323	0	0	0
E-F	-73.7045	15.4836	-351.703	-409.9239	103	19	12	13796	1	23	20
E-C	0.0	0.0	-71.3201	-71.3201	35	2	1	3312	0	5	4
F-G	-64.9938	12.5963	-325.729	-378.1266	104	12	10	13224	0	23	18
F-C	0.0	0.0	-30.7287	-30.7287	29	0	2	1987	0	1	1
G-H	-70.3567	21.7812	-325.285	-373.8604	105	19	12	13438	0	23	20
G-A	0.0	4.2389	-36.9626	-32.7237	20	2	0	1436	0	5	4
G-C	-8.5286	0.0	-38.0959	-46.6245	27	4	2	1857	0	0	0
H-A	-15.1515	8.8448	-66.9598	-73.2664	31	3	0	2475	2	12	10
H-C	-10.6727	0.0	-41.2467	-51.9194	25	2	0	1722	0	0	0
A-C	-30.6245	-7.6093	542.671	504.4372	98	13	5	11226	0	16	17

Interface residues

• D-E: ALA15D, ALA2D, ALA52D, ALA52E, ALA62D, ALA62E, ALA68D, ALA68E, ALA70D, ALA71D, ALA71E, ALA82D, ALA93D, ALA98D, ARG12D, ARG48E, ARG51D, ARG51E, ARG65D, ARG65E, ARG77D, ASN11D, ASN31E, ASN32E, ASN33E, ASN58D, ASN58E, ASN79D, ASN9D, ASP29E, ASP35E, ASP54D, ASP54E, ASP57D, ASP8D, CYS10D, CYS81D, GLN4D, GLU22E, GLU63D, GLU95D, GLU97D, GLY1D, 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, SER50D, SER50E, SER74D, SER74E, SER83D, SER87E, THR13D, THR14D, THR24E, THR34E, THR61D, THR61E, TRP47E, TRP92D, TYR26E, TYR38E, TYR55D, VAL39E, VAL40E, VAL46E, VAL59D, VAL72E, VAL78D, VAL90D
• D-G: LYS66G, MET69D
• D-H: ALA15H, ALA2H, ALA52D, ALA52H, ALA62D, ALA62H, ALA68D, ALA68H, ALA70D, ALA70H, ALA71D, ALA71H, ALA82H, ALA93H, ALA98H, ARG12H, ARG48D, ARG48H, ARG51D, ARG51H, ARG65D, ARG65H, ARG77H, ASN11H, ASN31D, ASN32D, ASN33D, ASN58D, ASN58H, ASN79H, ASN9H, ASP29D, ASP35D, ASP54D, ASP54H, ASP57H, ASP8H, CYS10H, CYS81H, GLN4H, GLU22D, GLU63D, GLU63H, GLU95H, GLU97H, GLY1H, GLY20H, GLY36D, GLY44D, GLY45D, GLY75D, ILE27D, ILE30D, ILE49D, ILE49H, ILE67H, ILE91H, ILE94H, LEU23D, LEU73D, LEU73H, LEU96H, LYS25D, LYS53D, LYS66D, LYS66H, LYS7H, MET37D, MET60H, MET64H, MET69D, MET69H, MET76H, MET80H, PHE5H, PHE6H, PRO56H, PRO88D, SER28D, SER3H, SER41D, SER50D, SER50H, SER74D, SER74H, SER83H, SER87D, THR13H, THR14H, THR24D, THR34D, THR61D, THR61H, TRP47D, TRP92H, TYR26D, TYR38D, TYR55H, VAL39D, VAL40D, VAL46D, VAL59H, VAL72D, VAL78H, VAL90H
• D-A: ALA98D, ARG141A, ARG144A, ARG31A, ASP146A, LEU73D, LYS25D, MET76D, SER74D, VAL72D
• D-C: ALA62D, ALA68D, ALA70D, ALA71D, ALA98D, ARG65D, ASN229C, ASN230C, GLU63D, GLY75D, ILE228C, ILE67D, LEU225C, LEU226C, LEU73D, LEU96D, LYS217C, LYS66D, MET223C, MET69D, MET76D, PHE220C, SER227C, SER74D, THR221C, THR224C, TYR26D, VAL72D
• E-F: ALA15E, ALA2E, ALA52E, ALA52F, ALA62E, ALA62F, ALA68E, ALA68F, ALA70E, 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, GLU22F, GLU63E, GLU95E, GLU97E, GLY1E, GLY36F, GLY44F, GLY45F, GLY75E, 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, SER50E, SER50F, SER74E, SER74F, SER83E, SER87F, THR13E, THR14E, THR24F, THR34F, THR61E, THR61F, TRP47F, TRP92E, TYR26F, TYR38F, TYR55E, VAL39F, VAL40F, VAL46F, VAL59E, VAL72F, VAL78E, VAL90E
• E-C: ALA62E, ALA68E, ALA70E, ALA71E, ALA98E, ARG218C, ARG65E, ARG77E, ASN229C, ASN230C, GLU22E, GLU97E, GLY75E, ILE216C, ILE228C, ILE67E, LEU222C, LEU225C, LEU226C, LEU73E, LEU96E, LYS213C, LYS214C, LYS217C, LYS219C, LYS66E, MET223C, MET69E, MET76E, PHE220C, SER74E, THR221C, THR224C, TYR26E, VAL72E
• F-G: ALA15F, ALA2F, ALA52F, ALA52G, ALA62F, ALA62G, ALA68F, ALA68G, ALA70F, ALA71F, ALA71G, ALA82F, ALA93F, ALA98F, ARG12F, ARG48F, 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, GLU63G, GLU95F, GLU97F, GLY1F, GLY36G, GLY44G, GLY45G, GLY75G, ILE27G, ILE30G, ILE49F, ILE49G, ILE67F, ILE67G, 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, SER50F, SER50G, SER74F, SER74G, SER83F, SER87G, THR13F, THR14F, THR24G, THR34G, THR61F, THR61G, TRP47G, TRP92F, TYR26G, TYR38G, TYR55F, VAL39G, VAL40G, VAL46G, VAL59F, VAL72G, VAL78F, VAL90F
• F-C: ALA62F, ALA68F, ALA70F, ALA71F, ARG218C, ASN229C, ASN230C, GLU63F, GLY75F, ILE67F, LEU222C, LEU225C, LEU226C, LEU73F, LEU96F, LYS214C, LYS217C, LYS219C, LYS66F, MET223C, MET69F, MET76F, PHE220C, SER74F, THR221C, THR224C, THR24F, TYR215C, VAL72F
• G-H: ALA15G, ALA2G, ALA52G, ALA52H, ALA62G, ALA62H, ALA68G, ALA68H, ALA70G, ALA70H, ALA71G, ALA71H, ALA82G, ALA93G, ALA98G, ARG12G, ARG48G, ARG48H, ARG51G, ARG51H, ARG65G, ARG65H, ARG77G, ASN11G, ASN31H, ASN32H, ASN33H, ASN58G, ASN58H, ASN79G, ASN9G, ASP29H, ASP35H, ASP54G, ASP54H, ASP57G, ASP8G, CYS10G, CYS81G, GLN4G, GLU22H, GLU63G, GLU63H, GLU95G, GLU97G, GLY1G, GLY36H, GLY44H, GLY45H, GLY75H, ILE27H, ILE30H, ILE49G, ILE49H, ILE67G, ILE67H, 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, SER50G, SER50H, SER74G, SER74H, SER83G, SER87H, THR13G, THR14G, THR24H, THR34H, THR61G, THR61H, TRP47H, TRP92G, TYR26H, TYR38H, TYR55G, VAL39H, VAL40H, VAL46H, VAL59G, VAL72H, VAL78G, VAL90G
• G-A: ALA70G, ALA71G, ALA98G, ARG144A, ARG145A, ARG149A, ARG77G, ASP146A, GLU22G, GLU97G, GLY150A, GLY75G, LEU147A, LEU151A, LEU73G, LEU96G, MET76G, PHE148A, SER74G, TYR143A
• G-C: ALA62G, ALA68G, ALA70G, ALA71G, ARG65G, ASN229C, ASN230C, GLU63G, GLY75G, ILE228C, ILE67G, LEU222C, LEU225C, LEU226C, LEU73G, LEU96G, LYS219C, LYS66G, MET223C, MET69G, MET76G, SER227C, SER74G, THR224C, TYR215C, TYR26G, VAL72G
• H-A: ALA70H, ALA71H, ALA98H, ARG139A, ARG141A, ARG144A, ARG145A, ARG149A, ARG77H, ASN140A, ASP142A, ASP146A, GLU22H, GLU97H, GLY1H, GLY20H, GLY75H, LEU147A, LEU23H, LEU73H, LEU96H, LYS25H, MET69H, MET76H, PHE148A, SER42H, SER74H, THR24H, TYR143A, VAL40H, VAL72H
• H-C: ALA62H, ALA68H, ALA70H, ALA71H, ARG65H, ASN229C, ASN230C, ASN58H, GLU63H, ILE228C, ILE67H, LEU222C, LEU225C, LEU226C, LEU73H, LEU96H, LYS66H, MET223C, MET69H, MET76H, PHE220C, SER227C, SER74H, THR224C, VAL59H
• A-C: ALA113A, ALA154A, ALA163A, ALA181A, ALA198C, ALA210C, ALA28A, ALA87A, ALA88A, ALA89A, ARG144A, ARG145A, ARG149A, ARG161A, ARG218C, ARG31A, ASN183A, ASN202C, ASN36A, ASN38A, ASN91A, ASP146A, ASP158A, ASP167A, ASP208C, ASP211C, ASP41A, ASP55A, CYS185A, CYS197C, GLN121A, GLN206C, GLN25A, GLU27A, GLU30A, GLY115A, GLY116A, GLY150A, GLY159A, GLY164A, GLY168A, GLY32A, GLY56A, HIS207C, ILE117A, ILE162A, ILE216C, ILE21A, ILE35A, ILE37A, LEU114A, LEU147A, LEU151A, LEU186A, LEU200C, LEU204C, LEU209C, LEU222C, LEU226C, LEU39A, LEU92A, LYS203C, LYS213C, LYS214C, LYS217C, LYS219C, MET223C, PHE148A, PHE165A, PHE169A, PHE180A, PHE212C, PHE220C, PHE93A, PRO118A, PRO166A, PRO182A, PRO22A, PRO34A, PRO90A, SER120A, SER152A, SER184A, SER199C, SER205C, SER227C, THR195C, THR196C, THR201C, THR221C, THR224C, THR33A, TRP172A, TYR160A, TYR215C, TYR29A, TYR40A, TYR57A