3F65

the f4 fimbrial chaperone faee does not self-cap its interactive surfaces

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 67
  • Norm. En. per Res.: -4.6572
• Hub Node: A(3)

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	-135.1502	0.0	-187.111	-322.2612	76	12	6	7330	0	10	7
A-C	-2.1813	-41.1398	-31.7383	-75.0594	43	0	0	1591	2	18	19
A-D	-40.8979	-70.5602	-212.863	-324.3211	72	5	6	7252	8	18	14
B-D	0.0	-5.8431	-48.268	-54.1111	44	3	0	2076	0	24	18
B-H	0.0	-13.4939	-4.5028	-17.9967	19	0	0	319	0	16	13
C-D	-135.2296	0.0	-176.805	-312.0346	67	16	6	7203	0	10	6
D-F	0.0	8.2335	-6.5331	1.7004	25	0	0	421	0	18	17
D-H	0.0	-33.0742	-35.4119	-68.4861	29	2	0	1429	3	29	24
E-F	-132.9354	0.0	-176.021	-308.9564	67	18	6	7087	0	10	7
E-G	0.0	0.0	-1.2839	-1.2839	17	0	0	207	0	13	12
E-H	-50.3423	-67.685	-196.562	-314.5893	74	13	4	7081	8	16	16
F-H	-4.5127	-28.0577	-26.0063	-58.5767	43	0	0	1479	3	24	19
G-H	-122.2808	0.0	-172.053	-294.3338	68	16	6	6938	0	10	6

Interface residues

• A-B: ALA100A, ALA100B, ALA102A, ALA102B, ALA3A, ALA3B, ALA93A, ALA93B, ARG104A, ARG104B, ARG8A, ARG8B, ASN86A, ASN86B, ASP89A, ASP89B, GLN168A, GLN168B, GLN88A, GLN88B, GLU95A, GLU95B, GLY165A, GLY96A, GLY96B, GLY98A, GLY98B, ILE40A, ILE40B, ILE90A, ILE90B, ILE99A, ILE99B, LEU103A, LEU103B, LEU107A, LEU107B, LEU109A, LEU109B, LEU171A, LEU2A, LEU2B, LEU85A, LEU85B, LEU87A, LEU87B, LEU94A, LEU94B, LYS106A, LYS106B, LYS108A, LYS108B, LYS169A, MET172A, MET172B, PRO91A, PRO91B, PRO92A, PRO92B, SER1A, SER1B, SER97A, SER97B, THR105A, THR105B, THR7A, THR7B, TRP84A, TRP84B, TYR83A, VAL101A, VAL101B, VAL4A, VAL4B, VAL82A, VAL82B
• A-C: ALA102C, ALA115A, ALA71C, ALA93C, ARG104C, ARG46A, ARG46C, ASN39C, ASN86C, ASP14A, ASP38C, ASP44A, ASP44C, ASP73A, ASP78A, GLN34C, GLN88C, GLU42A, GLU42C, HIS74A, ILE90C, LEU116A, LEU117A, LEU75A, LYS114A, LYS43A, LYS43C, LYS77A, LYS79A, PHE49C, PHE55C, PRO113A, PRO47C, PRO76A, PRO91C, SER54C, SER72A, THR45C, THR48C, TRP36C, VAL37C, VAL50C, VAL51C
• A-D: ALA102A, ALA102D, ALA35A, ALA35D, ALA71A, ALA71D, ARG104A, ARG104D, ARG46A, ARG46D, ARG67A, ASN39A, ASN39D, ASN86A, ASN86D, ASP38A, ASP38D, ASP44A, ASP44D, ASP73A, ASP73D, ASP89A, ASP89D, GLN34A, GLN34D, GLN88A, GLN88D, GLY32A, GLY32D, GLY33A, GLY33D, ILE69A, ILE69D, ILE90A, ILE90D, LEU87A, LYS106A, LYS106D, MET70A, MET70D, PHE49A, PHE49D, PHE55A, PHE55D, PHE56A, PHE56D, PRO47A, PRO47D, PRO53A, PRO53D, PRO91A, PRO91D, SER54A, SER54D, SER72A, SER72D, THR45A, THR45D, THR48A, THR48D, THR52A, THR52D, TRP36A, TRP36D, TRP84A, TRP84D, VAL37A, VAL37D, VAL50A, VAL50D, VAL51A, VAL51D
• B-D: ALA102B, ALA115D, ALA35B, ALA71B, ALA93B, ARG104B, ARG46B, ARG46D, ASN86B, ASP14D, ASP38B, ASP44B, ASP44D, ASP73D, ASP78D, GLN34B, GLN88B, GLU42D, GLY13D, HIS74D, ILE90B, LEU116D, LEU75D, LYS114D, LYS43B, LYS43D, LYS77D, LYS79D, PHE49B, PHE55B, PRO113D, PRO47B, PRO76D, PRO91B, SER54B, SER72D, THR45B, THR45D, THR48B, THR52B, TRP36B, VAL37B, VAL50B, VAL51B
• B-H: ALA115B, ALA17H, ARG12H, ARG46B, ARG67H, ASP14H, ASP16H, ASP44B, ASP78B, GLN63H, GLU15H, HIS74B, LEU18H, LYS77B, PRO47B, PRO76B, THR19H, THR45B, THR65H
• C-D: ALA100C, ALA100D, ALA102C, ALA102D, ALA3C, ALA3D, ALA93C, ALA93D, ARG104C, ARG104D, ARG8C, ARG8D, ASN86C, ASN86D, ASP89C, ASP89D, GLN88C, GLN88D, GLU95C, GLU95D, GLY96C, GLY96D, GLY98C, GLY98D, ILE40C, ILE40D, ILE90C, ILE90D, ILE99C, ILE99D, LEU103C, LEU103D, LEU107C, LEU107D, LEU171D, LEU2C, LEU2D, LEU85C, LEU85D, LEU87C, LEU87D, LEU94C, LEU94D, LYS106C, LYS106D, LYS108C, LYS108D, LYS169D, MET172C, MET172D, PRO91C, PRO91D, PRO92D, SER1C, SER1D, SER97C, SER97D, THR105C, THR105D, THR7C, THR7D, TRP84C, TRP84D, VAL101C, VAL101D, VAL4C, VAL4D
• D-F: ALA115F, ARG46F, ARG67D, ASP14D, ASP16D, ASP44F, ASP73F, ASP78F, GLN63D, GLN64D, GLU15D, HIS74F, LEU66D, LEU75F, LYS114F, LYS43F, LYS77F, LYS79F, PRO47F, PRO76F, THR19D, THR21D, THR45F, THR65D, VAL41F
• D-H: ALA115D, ALA115H, ALA123D, ARG112D, ARG112H, ARG120D, ARG120H, ARG12D, ARG12H, ASP14D, ASP14H, ASP193D, GLU118D, GLU118H, GLY119D, GLY119H, GLY122D, GLY122H, ILE10D, ILE10H, LEU116D, LEU116H, LEU117D, LEU117H, LYS114D, LYS114H, LYS121D, LYS121H, THR199D
• E-F: ALA100E, ALA100F, ALA102E, ALA102F, ALA3E, ALA3F, ALA93E, ALA93F, ARG104E, ARG104F, ARG8E, ARG8F, ASN86E, ASN86F, ASP89E, ASP89F, GLN168E, GLN88E, GLN88F, GLU95E, GLU95F, GLY96E, GLY96F, GLY98E, GLY98F, ILE40E, ILE40F, ILE90E, ILE90F, ILE99E, ILE99F, LEU103E, LEU103F, LEU107E, LEU107F, LEU171E, LEU2E, LEU2F, LEU85E, LEU85F, LEU87E, LEU87F, LEU94E, LEU94F, LYS106E, LYS106F, LYS108E, LYS108F, MET172E, MET172F, PRO91E, PRO91F, PRO92E, SER1E, SER1F, SER97E, SER97F, THR105E, THR105F, THR7E, THR7F, TRP84E, TRP84F, VAL101E, VAL101F, VAL4E, VAL4F
• E-G: ALA102G, ALA115E, ALA93G, ARG104G, ARG46E, ASP44E, ASP73E, GLN34G, GLN88G, HIS74E, ILE90G, LEU75E, LYS43E, PRO76E, THR45E, THR45G, TRP36G
• E-H: ALA102E, ALA102H, ALA35E, ALA35H, ALA71E, ALA71H, ALA93E, ARG104E, ARG104H, ARG46E, ARG46H, ARG67E, ARG67H, ASN39E, ASN39H, ASN86E, ASN86H, ASP38E, ASP38H, ASP44E, ASP44H, ASP73E, ASP73H, ASP89E, ASP89H, GLN34E, GLN34H, GLN88E, GLN88H, GLY32E, GLY32H, GLY33E, GLY33H, ILE69E, ILE69H, ILE90E, ILE90H, LEU87E, LYS106E, LYS106H, MET70E, MET70H, PHE49E, PHE49H, PHE55E, PHE55H, PHE56E, PHE56H, PRO47E, PRO47H, PRO53E, PRO53H, PRO91E, PRO91H, SER54E, SER54H, SER72E, SER72H, THR45E, THR45H, THR48E, THR48H, THR52E, THR52H, TRP36E, TRP36H, TRP84E, TRP84H, VAL37E, VAL37H, VAL50E, VAL50H, VAL51E, VAL51H
• F-H: ALA102F, ALA115H, ALA35F, ALA71F, ALA93F, ARG104F, ARG46F, ARG46H, ASP14H, ASP38F, ASP44H, ASP73H, ASP78H, GLN34F, GLN88F, GLU42H, GLY13H, HIS74H, ILE69F, ILE90F, LEU116H, LEU75H, LYS114H, LYS43H, LYS77H, LYS79H, PHE49F, PHE55F, PRO113H, PRO47F, PRO76H, PRO91F, SER54F, SER72H, THR45F, THR45H, THR48F, THR52F, TRP36F, VAL37F, VAL41H, VAL50F, VAL51F
• G-H: ALA100G, ALA100H, ALA102G, ALA102H, ALA148H, ALA3H, ALA93G, ALA93H, ARG104G, ARG104H, ARG8G, ARG8H, ASN86G, ASN86H, ASP89G, ASP89H, GLN168H, GLN88G, GLN88H, GLU95G, GLU95H, GLY96G, GLY96H, GLY98G, GLY98H, ILE40G, ILE40H, ILE90G, ILE90H, ILE99G, ILE99H, LEU103G, LEU103H, LEU107G, LEU107H, LEU109G, LEU109H, LEU171H, LEU2H, LEU85G, LEU85H, LEU87G, LEU87H, LEU94G, LEU94H, LYS106G, LYS106H, LYS108G, LYS108H, MET172G, MET172H, PRO91G, PRO91H, PRO92H, SER1G, SER1H, SER97G, SER97H, THR105G, THR105H, THR7G, THR7H, TRP84G, TRP84H, VAL101G, VAL101H, VAL4H, VAL82G