1UT2

afae-3 adhesin from escherichia coli

• Total interactions analyzed: 36
• Total true interactions: 19
• Strongest Interaction:
  • Chains: C-G
  • Int. Res.: 38
  • Norm. En. per Res.: -1.9398
• 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	-54.6558	-8.6529	518.336	455.0274	69	22	8	8798	0	4	4
A-C	-70.6065	-8.5293	522.821	443.6853	71	25	8	8658	0	4	4
A-D	0.0	10.2375	-18.5826	-8.3451	46	3	0	1025	0	10	12
A-F	0.0	9.7294	-0.1702	9.5592	3	0	0	22	0	2	2
A-G	0.0	-3.1048	-57.7659	-60.8707	69	6	0	3595	0	6	5
A-H	0.0	0.0	-25.2888	-25.2888	20	0	1	1205	0	0	0
B-C	-52.7877	-7.4638	530.053	469.8016	68	33	8	8725	0	5	4
B-F	-7.529	0.0	-58.4387	-65.9677	36	0	0	2461	0	1	0
B-G	0.0	0.0	-0.3979	-0.3979	11	0	0	82	0	5	4
B-H	0.0	-2.9659	-31.2735	-34.2394	60	1	0	2422	0	5	3
C-F	0.0	13.7107	-3.6128	10.0978	31	0	0	548	0	3	5
C-G	-15.5568	0.0	-58.1557	-73.7125	38	6	0	2708	0	1	1
C-H	0.0	0.0	-0.0161	-0.0161	2	0	0	6	0	1	2
D-E	-85.3043	-9.0943	529.938	435.5394	68	22	7	8425	0	5	4
D-I	-56.8417	-9.524	522.569	456.2034	71	27	8	8565	0	4	4
E-I	-72.9526	-13.6043	525.743	439.1861	69	25	7	8769	0	4	4
F-G	-100.5807	-8.7855	577.974	468.6078	68	37	7	8272	0	3	4
F-H	-72.1096	-14.7171	544.193	457.3663	68	32	8	8814	0	4	4
G-H	-60.273	-18.5266	529.578	450.7784	68	31	8	8786	0	5	4

Interface residues

• A-B: ALA29B, ALA48A, ALA53A, ALA57A, ALA60A, ARG22B, ARG32B, ARG54A, ASN127B, ASN52A, ASP25B, ASP75B, CYS19B, CYS51A, GLN20B, GLN34B, GLN47A, GLN55A, GLU17B, GLU18B, GLY106A, GLY109A, GLY110A, GLY126B, GLY134A, GLY135A, GLY24B, GLY50A, GLY6A, GLY9A, ILE112A, LEU130A, LEU132A, LEU13B, LEU26B, LEU49A, LEU58A, LYS30B, LYS59A, PHE2A, PRO125B, PRO43A, PRO4A, SER107A, SER5A, THR10A, THR11A, THR131A, THR133A, THR14B, THR16B, THR27B, THR31B, THR3A, THR45A, THR7A, THR8A, TRP108A, TRP137A, TRP93A, TYR136A, VAL105A, VAL15B, VAL21B, VAL23B, VAL28B, VAL44A, VAL46A, VAL56A
• A-C: ALA29A, ALA48C, ALA53C, ALA57C, ALA60C, ARG22A, ARG32A, ARG54C, ASN127A, ASN52C, ASP25A, ASP75A, CYS19A, CYS51C, GLN20A, GLN34A, GLN47C, GLN55C, GLU17A, GLU18A, GLY106C, GLY109C, GLY110C, GLY126A, GLY134C, GLY135C, GLY24A, GLY50C, GLY6C, GLY9C, ILE112C, LEU130C, LEU132C, LEU13A, LEU26A, LEU49C, LEU58C, LYS30A, LYS59C, PHE100C, PHE2C, PRO125A, PRO43C, PRO4C, SER107C, SER5C, THR10C, THR11C, THR131C, THR133C, THR14A, THR16A, THR27A, THR31A, THR3C, THR45C, THR7C, THR8C, TRP108C, TRP137C, TRP93C, TYR101C, TYR136C, VAL105C, VAL15A, VAL21A, VAL23A, VAL28A, VAL44C, VAL46C, VAL56C
• A-D: ALA38A, ALA38D, ALA92A, ALA92D, ARG86A, ARG86D, ASN103A, ASN103D, ASN84A, ASN84D, ASN90A, ASN90D, ASP104A, ASP104D, ASP117A, ASP117D, ASP37A, ASP37D, ASP89A, ASP89D, ASP96A, ASP96D, GLN55A, GLN67A, GLY0A, GLY118A, ILE85A, LYS102A, LYS69A, LYS69D, MET88D, PHE100A, PRO87A, PRO87D, SER91A, SER91D, THR94A, THR94D, THR95A, THR95D, TRP137A, TRP93A, TRP93D, TYR101A, TYR101D, VAL105D
• A-F: ASP25A, ASP25F, LEU26A
• A-G: ALA29A, ALA29G, ALA38G, ALA39A, ALA39G, ARG22A, ARG22G, ARG86G, ASN52A, ASN90A, ASN90G, ASP25A, ASP37G, ASP89A, ASP89G, GLN20A, GLN20G, GLN34A, GLN34G, GLN47A, GLN47G, GLU18G, GLY109A, GLY109G, GLY110A, GLY110G, GLY113A, GLY113G, GLY24A, GLY33G, GLY42A, GLY42G, ILE112A, ILE112G, ILE41A, ILE41G, LEU26A, LEU49A, LYS30A, LYS30G, MET88A, MET88G, PRO40A, PRO40G, PRO43A, PRO43G, PRO87G, SER91A, SER91G, THR111A, THR111G, THR11A, THR27A, THR31A, THR31G, THR36G, THR45A, THR45G, TRP108A, TRP108G, TYR115A, TYR115G, VAL23A, VAL28A, VAL28G, VAL44A, VAL44G, VAL46A, VAL46G
• A-H: ALA48A, ALA48H, ALA53A, ALA53H, ASN52A, ASN52H, CYS51A, CYS51H, GLN47A, GLN47H, GLY109A, GLY109H, GLY50A, GLY50H, LEU49A, LEU49H, SER107A, SER107H, TRP108A, TRP108H
• B-C: ALA29C, ALA48B, ALA53B, ALA57B, ALA60B, ARG22C, ARG32C, ARG54B, ASN127C, ASN52B, ASP25C, ASP75C, CYS19C, CYS51B, GLN20C, GLN34C, GLN47B, GLN55B, GLU17C, GLU18C, GLY106B, GLY109B, GLY110B, GLY126C, GLY134B, GLY135B, GLY24C, GLY50B, GLY6B, GLY9B, ILE112B, LEU130B, LEU132B, LEU13C, LEU26C, LEU49B, LEU58B, LYS30C, LYS59B, PHE2B, PRO125C, PRO43B, PRO4B, SER107B, SER5B, THR10B, THR11B, THR131B, THR133B, THR14C, THR16C, THR27C, THR31C, THR3B, THR45B, THR7B, THR8B, TRP108B, TRP137B, TRP93B, TYR136B, VAL15C, VAL21C, VAL23C, VAL28C, VAL44B, VAL46B, VAL56B
• B-F: ALA48B, ALA48F, ASN52B, ASN52F, ASP89B, ASP89F, CYS51B, GLN47B, GLN47F, GLY106B, GLY106F, GLY109B, GLY109F, GLY110B, GLY110F, GLY50B, ILE112F, LEU49B, LEU49F, LYS102B, LYS102F, MET88F, SER107B, SER107F, SER91B, SER91F, THR111F, THR45F, TRP108B, TRP108F, VAL105B, VAL44F, VAL46B, VAL46F, VAL56B, VAL56F
• B-G: ARG22B, ARG22G, ASP25B, ASP25G, LEU26B, LEU26G, LYS30G, PRO43B, THR27G, VAL28B, VAL28G
• B-H: ALA29B, ALA29H, ALA38B, ALA39B, ALA39H, ALA48B, ARG22B, ARG22H, ARG86B, ASN90B, ASN90H, ASP25H, ASP37B, ASP89B, ASP89H, GLN20B, GLN20H, GLN34B, GLN34H, GLN47B, GLN47H, GLY109B, GLY109H, GLY110B, GLY110H, GLY113B, GLY24H, GLY42B, GLY42H, ILE112B, ILE112H, ILE41B, ILE41H, LEU26B, LEU26H, LEU49B, LEU49H, LYS30B, LYS30H, MET88B, MET88H, PRO40B, PRO40H, PRO43B, PRO43H, THR111B, THR111H, THR27H, THR31B, THR36B, THR45B, THR45H, TRP108B, TRP108H, TYR115B, VAL28B, VAL28H, VAL44B, VAL46B, VAL46H
• C-F: ARG22C, ARG22F, ASN90F, ASP25F, ASP89C, ASP89F, GLN20C, GLN20F, GLN34C, GLN34F, GLU18C, GLU18F, GLY110C, GLY110F, LEU26C, LYS30C, LYS30F, MET88C, MET88F, PRO40C, PRO40F, PRO43C, PRO43F, THR111C, THR111F, THR31C, THR31F, THR45C, THR45F, TYR115C, TYR115F
• C-G: ALA48C, ALA48G, ASN52C, ASN52G, ASP104G, ASP89C, ASP89G, CYS51G, GLN47C, GLN47G, GLY106C, GLY106G, GLY109C, GLY109G, GLY110C, GLY110G, GLY50C, GLY50G, ILE112C, LEU49C, LEU49G, LYS102C, LYS102G, MET88C, PRO43C, SER107C, SER107G, SER91C, SER91G, THR111C, THR45C, TRP108C, TRP108G, VAL105G, VAL44C, VAL46C, VAL46G, VAL56G
• C-H: ASP25H, LEU26C
• D-E: ALA29D, ALA48E, ALA53E, ALA57E, ARG22D, ARG32D, ARG54E, ASN127D, ASN52E, ASP25D, ASP75D, CYS19D, CYS51E, GLN20D, GLN34D, GLN47E, GLN55E, GLU17D, GLU18D, GLY106E, GLY109E, GLY110E, GLY126D, GLY134E, GLY135E, GLY24D, GLY50E, GLY6E, GLY9E, ILE112E, LEU132E, LEU13D, LEU26D, LEU49E, LEU58E, LYS30D, LYS59E, PHE2E, PRO125D, PRO43E, PRO4E, SER107E, SER5E, THR10E, THR111E, THR11E, THR131E, THR133E, THR14D, THR16D, THR27D, THR31D, THR3E, THR45E, THR7E, THR8E, TRP108E, TRP137E, TRP93E, TYR136E, VAL105E, VAL15D, VAL21D, VAL23D, VAL28D, VAL44E, VAL46E, VAL56E
• D-I: ALA29I, ALA48D, ALA53D, ALA57D, ALA60D, ARG22I, ARG32I, ARG54D, ASN127I, ASN52D, ASP25I, CYS19I, CYS51D, GLN20I, GLN34I, GLN47D, GLN55D, GLU17I, GLU18I, GLY106D, GLY109D, GLY126I, GLY134D, GLY135D, GLY24I, GLY50D, GLY6D, GLY9D, ILE112D, LEU130D, LEU132D, LEU13I, LEU26I, LEU49D, LEU58D, LYS102D, LYS12D, LYS30I, LYS59D, PHE100D, PHE2D, PRO125I, PRO43D, PRO4D, SER107D, SER5D, THR10D, THR11D, THR131D, THR133D, THR14I, THR16I, THR27I, THR31I, THR3D, THR45D, THR7D, THR8D, TRP108D, TRP137D, TRP93D, TYR101D, TYR136D, VAL105D, VAL15I, VAL21I, VAL23I, VAL28I, VAL44D, VAL46D, VAL56D
• E-I: ALA29E, ALA48I, ALA53I, ALA57I, ARG22E, ARG32E, ARG54I, ASN127E, ASN52I, ASP25E, ASP75E, CYS19E, CYS51I, GLN20E, GLN34E, GLN47I, GLN55I, GLU17E, GLU18E, GLY106I, GLY109I, GLY110I, GLY126E, GLY134I, GLY135I, GLY24E, GLY50I, GLY6I, GLY9I, ILE112I, LEU130I, LEU132I, LEU13E, LEU26E, LEU49I, LEU58I, LYS30E, LYS59I, PHE2I, PRO125E, PRO43I, PRO4I, SER107I, SER5I, THR10I, THR111I, THR11I, THR131I, THR133I, THR14E, THR16E, THR27E, THR31E, THR3I, THR45I, THR7I, THR8I, TRP108I, TRP137I, TRP93I, TYR136I, VAL105I, VAL15E, VAL21E, VAL23E, VAL28E, VAL44I, VAL46I, VAL56I
• F-G: ALA29F, ALA48G, ALA53G, ALA57G, ARG22F, ARG32F, ARG54G, ASN127F, ASN52G, ASP25F, CYS19F, CYS51G, GLN20F, GLN34F, GLN47G, GLN55G, GLU17F, GLU18F, GLY106G, GLY109G, GLY110G, GLY126F, GLY134G, GLY135G, GLY24F, GLY50G, GLY6G, GLY9G, ILE112G, LEU130G, LEU132G, LEU13F, LEU26F, LEU49G, LEU58G, LYS12G, LYS30F, LYS59G, PHE2G, PRO125F, PRO43G, PRO4G, SER107G, SER5G, THR10G, THR11G, THR131G, THR133G, THR14F, THR16F, THR27F, THR31F, THR3G, THR45G, THR7G, THR8G, TRP108G, TRP137G, TRP93G, TYR101G, TYR136G, VAL15F, VAL21F, VAL23F, VAL28F, VAL44G, VAL46G, VAL56G
• F-H: ALA29H, ALA48F, ALA53F, ALA57F, ALA60F, ARG22H, ARG32H, ARG54F, ASN127H, ASN52F, ASP25H, CYS19H, CYS51F, GLN20H, GLN34H, GLN47F, GLN55F, GLU17H, GLU18H, GLY106F, GLY109F, GLY110F, GLY126H, GLY134F, GLY135F, GLY24H, GLY50F, GLY6F, GLY9F, ILE112F, LEU130F, LEU132F, LEU13H, LEU26H, LEU49F, LEU58F, LYS30H, LYS59F, PHE2F, PRO125H, PRO43F, PRO4F, SER107F, SER5F, THR10F, THR11F, THR131F, THR133F, THR14H, THR16H, THR27H, THR31H, THR3F, THR45F, THR7F, THR8F, TRP108F, TRP137F, TRP93F, TYR101F, TYR136F, VAL15H, VAL21H, VAL23H, VAL28H, VAL44F, VAL46F, VAL56F
• G-H: ALA29G, ALA48H, ALA53H, ALA57H, ALA60H, ARG22G, ARG32G, ARG54H, ASN127G, ASN52H, ASP25G, ASP75G, CYS19G, CYS51H, GLN20G, GLN34G, GLN47H, GLN55H, GLU17G, GLU18G, GLY106H, GLY109H, GLY110H, GLY126G, GLY134H, GLY135H, GLY24G, GLY50H, GLY6H, GLY9H, ILE112H, ILE85H, LEU132H, LEU13G, LEU26G, LEU49H, LEU58H, LYS12H, LYS30G, LYS59H, PHE2H, PRO125G, PRO43H, PRO4H, SER107H, SER5H, THR10H, THR131H, THR133H, THR14G, THR16G, THR27G, THR31G, THR3H, THR45H, THR7H, THR8H, TRP108H, TRP137H, TRP93H, TYR136H, VAL15G, VAL21G, VAL23G, VAL28G, VAL44H, VAL46H, VAL56H