1N12

crystal structure of the pape (n-terminal-deleted) pilus subunit bound to a peptide corresponding to the n-terminal extension of the papk pilus subunit (residues 1-11) from uropathogenic e. coli

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 74
  • Norm. En. per Res.: -8.2856
• Hub Node: A(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
A-B	-223.247	-26.7852	-363.105	-613.1373	74	22	20	11898	1	2	6
A-C	0.0	0.0	-26.6223	-26.6223	26	3	0	1147	0	0	0
B-C	0.0	0.0	-3.4891	-3.4891	12	0	1	224	0	1	0
C-D	-214.5401	-13.1322	-346.666	-574.3383	74	21	17	11769	0	2	6

Interface residues

• A-B: ALA122A, ALA135A, ALA140A, ALA142A, ALA146A, ALA4B, ALA61A, ARG6B, ASN19A, ASN45A, ASN73A, ASN8B, ASP11B, ASP23A, ASP26A, ASP2B, CYS15A, GLN131A, GLN25A, GLN30A, GLU28A, GLY125A, GLY136A, GLY7B, GLY81A, HIS121A, ILE118A, ILE134A, ILE29A, ILE59A, ILE69A, LEU100A, LEU10B, LEU120A, LEU124A, LEU133A, LEU144A, LEU32A, LEU82A, LEU83A, LEU86A, LEU9B, LYS123A, LYS40A, PHE138A, PHE42A, PHE5B, PRO137A, SER139A, SER18A, SER1B, SER75A, THR141A, THR143A, THR16A, THR20A, THR21A, THR31A, THR43A, THR60A, THR74A, TRP24A, TYR126A, TYR85A, TYR87A, VAL145A, VAL17A, VAL22A, VAL27A, VAL3B, VAL44A, VAL57A, VAL71A, VAL84A
• A-C: ALA140A, ALA142A, ALA61A, ALA91C, ASN19A, ASN35C, ASN63A, ASN73A, ASN90C, ASN93C, GLN72A, GLU39C, GLY92C, GLY95C, ILE94C, LYS108C, LYS123C, PHE138A, SER139A, SER78A, SER89C, THR141A, THR143A, THR62A, THR96C, VAL71A
• B-C: ALA4B, ALA91C, ARG6B, ASN90C, ASN93C, ASP2B, GLY107C, GLY92C, LYS108C, PHE5B, SER1B, VAL3B
• C-D: ALA122C, ALA135C, ALA140C, ALA142C, ALA146C, ALA4D, ALA61C, ARG6D, ASN19C, ASN45C, ASN73C, ASN8D, ASP11D, ASP23C, ASP26C, ASP2D, CYS15C, GLN131C, GLN25C, GLN30C, GLU28C, GLY125C, GLY136C, GLY7D, GLY81C, HIS121C, ILE118C, ILE134C, ILE29C, ILE59C, ILE69C, LEU100C, LEU10D, LEU120C, LEU124C, LEU133C, LEU144C, LEU32C, LEU82C, LEU83C, LEU86C, LEU9D, LYS123C, LYS40C, PHE138C, PHE42C, PHE5D, PRO137C, SER139C, SER18C, SER1D, SER75C, THR141C, THR143C, THR16C, THR20C, THR21C, THR31C, THR43C, THR60C, THR74C, TRP24C, TYR126C, TYR85C, TYR87C, VAL145C, VAL17C, VAL22C, VAL27C, VAL3D, VAL44C, VAL57C, VAL71C, VAL84C