2UY7

crystal structure of the p pilus rod subunit papa

• Total interactions analyzed: 28
• Total true interactions: 4
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 189
  • Norm. En. per Res.: -4.5411
• Hub Node: A(1)

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	-217.3058	-21.9433	-557.416	-796.6651	182	55	21	23151	0	34	30
C-D	-209.1159	-24.4173	-545.082	-778.6151	185	70	21	23669	0	35	30
E-F	-200.2963	-22.5271	-555.76	-778.5835	181	55	20	22536	0	34	30
G-H	-217.0353	-49.1904	-592.043	-858.2686	189	63	21	24554	1	35	28

Interface residues

• A-B: ALA100A, ALA106A, ALA135B, ALA151B, ALA154B, ALA156B, ALA163A, ALA1A, ALA20B, ALA29B, ALA65B, ALA72B, ALA80B, ALA9A, ARG200A, ARG6A, ARG8A, ARG91A, ARG96A, ASN101A, ASN125A, ASN14B, ASN157B, ASN159B, ASN15B, ASN195A, ASN24A, ASN26A, ASN60B, ASN89A, ASN96B, ASP12A, ASP196A, ASP19B, ASP21A, ASP25A, ASP30B, ASP34B, ASP53B, ASP55B, ASP5A, ASP62B, ASP94B, CYS22B, CYS61B, GLN104A, GLN108A, GLN162A, GLN163B, GLN26B, GLN28A, GLN31B, GLN34A, GLN37B, GLN42A, GLN8B, GLU15A, GLU160A, GLU164A, GLU165A, GLU167A, GLU169A, GLU38A, GLU57B, GLU92A, GLU98A, GLY150B, GLY155A, GLY157A, GLY166A, GLY198A, GLY199A, GLY36B, GLY71B, GLY75B, GLY83B, GLY9B, ILE103B, ILE105A, ILE111A, ILE154A, ILE194A, ILE22A, ILE24B, ILE33B, ILE56B, ILE93A, LEU103A, LEU107A, LEU131B, LEU156A, LEU160B, LEU191A, LEU20A, LEU29A, LEU38B, LEU43B, LEU4A, LEU54B, LEU58B, LEU79B, LEU90A, LEU93B, LYS10B, LYS110A, LYS112A, LYS161A, LYS27A, LYS27B, LYS64A, LYS73B, LYS74B, LYS78B, LYS99A, MET172A, MET18A, MET52B, MET66A, PHE114A, PHE114B, PHE11A, PHE152B, PHE158B, PHE168A, PHE35B, PHE66B, PHE81B, PHE88A, PRO124A, PRO21B, PRO30A, PRO61A, PRO94A, PRO95A, SER153B, SER17A, SER192A, SER23A, SER23B, SER25B, SER28B, SER32B, SER39B, SER3A, SER97A, THR101B, THR109A, THR12B, THR134B, THR152A, THR161B, THR16B, THR170A, THR19A, THR64B, THR76B, THR7A, THR82B, THR95B, THR99B, TRP36A, TYR133B, TYR162B, TYR197A, TYR31A, TYR87A, VAL102A, VAL104B, VAL105B, VAL10A, VAL11B, VAL136B, VAL137B, VAL153A, VAL155B, VAL171A, VAL17B, VAL18B, VAL202A, VAL2A, VAL59B, VAL77B
• C-D: ALA100C, ALA106C, ALA135D, ALA151D, ALA154D, ALA156D, ALA163C, ALA1C, ALA20D, ALA29D, ALA65D, ALA72D, ALA80D, ALA9C, ARG200C, ARG6C, ARG8C, ARG91C, ARG96C, ASN101C, ASN125C, ASN14D, ASN157D, ASN159D, ASN15D, ASN195C, ASN24C, ASN26C, ASN60D, ASN89C, ASN96D, ASP12C, ASP196C, ASP19D, ASP21C, ASP25C, ASP30D, ASP34D, ASP55D, ASP5C, ASP62D, CYS22D, CYS61D, GLN104C, GLN108C, GLN162C, GLN163D, GLN26D, GLN28C, GLN31D, GLN34C, GLN37D, GLN42C, GLN8D, GLU15C, GLU160C, GLU164C, GLU165C, GLU167C, GLU169C, GLU38C, GLU57D, GLU92C, GLU98C, GLY150D, GLY155C, GLY157C, GLY166C, GLY198C, GLY199C, GLY36D, GLY71D, GLY75D, GLY83D, GLY97D, GLY9D, ILE103D, ILE105C, ILE111C, ILE154C, ILE194C, ILE22C, ILE24D, ILE33D, ILE56D, ILE93C, LEU103C, LEU107C, LEU131D, LEU156C, LEU160D, LEU191C, LEU20C, LEU29C, LEU38D, LEU4C, LEU54D, LEU58D, LEU69C, LEU79D, LEU90C, LEU93D, LYS10D, LYS110C, LYS112C, LYS121C, LYS161C, LYS27C, LYS27D, LYS44C, LYS64C, LYS73D, LYS74D, LYS78D, LYS99C, MET172C, MET18C, MET52D, MET66C, PHE114C, PHE114D, PHE11C, PHE152D, PHE158D, PHE168C, PHE35D, PHE66D, PHE81D, PHE88C, PRO124C, PRO21D, PRO30C, PRO84D, PRO94C, PRO95C, SER14C, SER153D, SER17C, SER192C, SER23C, SER23D, SER25D, SER28D, SER32D, SER3C, SER49D, SER65C, SER97C, THR109C, THR12D, THR134D, THR152C, THR161D, THR16D, THR170C, THR19C, THR64D, THR76D, THR7C, THR82D, TRP36C, TYR133D, TYR162D, TYR190C, TYR193C, TYR197C, TYR31C, TYR87C, VAL102C, VAL104D, VAL105D, VAL10C, VAL112D, VAL11D, VAL136D, VAL137D, VAL153C, VAL155D, VAL171C, VAL17D, VAL18D, VAL202C, VAL2C, VAL59D, VAL77D
• E-F: ALA100E, ALA106E, ALA135F, ALA151F, ALA154F, ALA156F, ALA163E, ALA1E, ALA20F, ALA29F, ALA65F, ALA72F, ALA80F, ALA9E, ARG200E, ARG68E, ARG6E, ARG8E, ARG91E, ARG96E, ASN101E, ASN125E, ASN14F, ASN157F, ASN159F, ASN15F, ASN195E, ASN24E, ASN26E, ASN60F, ASN89E, ASN96F, ASP120F, ASP196E, ASP19F, ASP21E, ASP25E, ASP30F, ASP34F, ASP53F, ASP55F, ASP5E, ASP62F, ASP94F, CYS22F, CYS61F, GLN104E, GLN108E, GLN162E, GLN163F, GLN26F, GLN28E, GLN31F, GLN34E, GLN37F, GLN42E, GLN8F, GLU118F, GLU149F, GLU15E, GLU164E, GLU165E, GLU167E, GLU169E, GLU57F, GLU92E, GLU98E, GLY150F, GLY155E, GLY166E, GLY198E, GLY199E, GLY36F, GLY71F, GLY75F, GLY83F, GLY9F, ILE103F, ILE105E, ILE111E, ILE154E, ILE194E, ILE22E, ILE24F, ILE33F, ILE56F, ILE93E, LEU103E, LEU107E, LEU131F, LEU156E, LEU160F, LEU20E, LEU29E, LEU38F, LEU43F, LEU4E, LEU54F, LEU58F, LEU79F, LEU90E, LEU93F, LYS10F, LYS110E, LYS112E, LYS161E, LYS27E, LYS27F, LYS44E, LYS64E, LYS73F, LYS74F, LYS78F, LYS99E, MET172E, MET18E, MET52F, MET66E, PHE114E, PHE114F, PHE152F, PHE158F, PHE168E, PHE35F, PHE66F, PHE81F, PHE88E, PRO124E, PRO21F, PRO30E, PRO61E, PRO94E, PRO95E, SER153F, SER192E, SER23E, SER23F, SER25F, SER28F, SER32F, SER39F, SER3E, SER65E, SER97E, THR101F, THR109E, THR134F, THR152E, THR161F, THR16F, THR170E, THR19E, THR64F, THR76F, THR7E, THR82F, THR95F, THR99F, TRP36E, TYR133F, TYR162F, TYR197E, TYR31E, TYR87E, VAL102E, VAL104F, VAL105F, VAL10E, VAL112F, VAL11F, VAL136F, VAL137F, VAL153E, VAL155F, VAL171E, VAL17F, VAL18F, VAL2E, VAL59F, VAL67E, VAL77F
• G-H: ALA100G, ALA106G, ALA135H, ALA151H, ALA154H, ALA156H, ALA163G, ALA1G, ALA20H, ALA29H, ALA65H, ALA72H, ALA80H, ALA9G, ARG116G, ARG123G, ARG200G, ARG68G, ARG6G, ARG8G, ARG91G, ARG96G, ASN101G, ASN125G, ASN14H, ASN157H, ASN159H, ASN15H, ASN195G, ASN24G, ASN26G, ASN60H, ASN89G, ASN96H, ASP12G, ASP196G, ASP19H, ASP21G, ASP25G, ASP30H, ASP34H, ASP53H, ASP55H, ASP5G, ASP62H, ASP94H, CYS22H, CYS61H, GLN104G, GLN108G, GLN162G, GLN163H, GLN26H, GLN28G, GLN31H, GLN34G, GLN37H, GLN42G, GLN8H, GLU149H, GLU15G, GLU164G, GLU165G, GLU167G, GLU169G, GLU57H, GLU92G, GLU98G, GLY150H, GLY155G, GLY166G, GLY198G, GLY199G, GLY36H, GLY75H, GLY83H, GLY9H, ILE103H, ILE105G, ILE111G, ILE154G, ILE194G, ILE22G, ILE24H, ILE33H, ILE56H, ILE93G, LEU103G, LEU107G, LEU113G, LEU131H, LEU156G, LEU160H, LEU20G, LEU29G, LEU38H, LEU4G, LEU54H, LEU58H, LEU69G, LEU79H, LEU85G, LEU90G, LEU93H, LYS10H, LYS110G, LYS112G, LYS121G, LYS27G, LYS27H, LYS44G, LYS64G, LYS73H, LYS74H, LYS78H, LYS99G, MET172G, MET18G, MET52H, MET66G, PHE114G, PHE114H, PHE11G, PHE13H, PHE152H, PHE158H, PHE168G, PHE35H, PHE66H, PHE81H, PHE88G, PRO124G, PRO21H, PRO30G, PRO61G, PRO84H, PRO94G, PRO95G, SER153H, SER17G, SER192G, SER23G, SER23H, SER25H, SER28H, SER32H, SER39H, SER3G, SER49H, SER65G, SER97G, THR101H, THR109G, THR12H, THR134H, THR152G, THR161H, THR16H, THR170G, THR19G, THR64H, THR76H, THR7G, THR82H, THR95H, THR99H, TRP36G, TYR133H, TYR162H, TYR197G, TYR31G, TYR87G, VAL102G, VAL104H, VAL105H, VAL10G, VAL112H, VAL11H, VAL136H, VAL137H, VAL153G, VAL155H, VAL171G, VAL17H, VAL18H, VAL2G, VAL59H, VAL67G, VAL77H