3NCW

crystal structure of ehec o157:h7 intimin

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 63
  • Norm. En. per Res.: -3.3776
• 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	0.0	0.0	-0.0393	-0.0393	3	0	0	13	0	0	0
A-D	-33.9433	-38.0758	-44.7886	-116.8077	45	6	0	1866	3	15	15
B-C	0.0	12.4033	-27.2584	-14.8551	34	0	0	1638	0	7	7
B-D	-59.104	0.0	-153.682	-212.786	63	18	0	5441	0	0	4
C-D	0.0	0.0	-1.4813	-1.4813	17	0	0	315	0	2	1

Interface residues

• A-B: ASN922B, ASP871A, THR867A
• A-D: ALA878D, ARG770A, ARG770D, ASN760A, ASN767A, ASN767D, ASN768A, ASN768D, ASN916D, ASP754A, ASP759A, ASP763A, ASP871D, ASP874D, GLN866D, GLN915D, GLU755A, GLU772A, GLY766D, GLY771A, GLY771D, GLY789A, GLY790A, GLY877D, ILE764A, ILE765D, LYS757A, LYS761A, LYS761D, LYS786A, LYS881D, PHE752A, PHE753A, PRO917D, SER788A, SER870D, SER875D, THR867D, THR914D, TRP876D, TYR873D, TYR910D, VAL762A, VAL769A, VAL769D
• B-C: ASN767B, ASN767C, ASN911B, ASN911C, ASN916B, ASN916C, ASP871B, ASP874B, ASP874C, GLN866B, GLN866C, GLN915B, GLN915C, GLY877C, ILE913C, LEU918B, LEU918C, LYS761B, LYS761C, PRO917B, PRO917C, PRO919B, PRO919C, SER870B, SER870C, THR867C, THR914B, THR914C, TYR873B, TYR873C, TYR910B, TYR910C, VAL769B, VAL769C
• B-D: ALA849B, ALA849D, ALA854B, ALA854D, ALA930B, ALA930D, ASN880B, ASN880D, ASN889B, ASN889D, ASN911B, ASN911D, ASN916B, ASN916D, ASN924B, ASN924D, ASN927B, ASN927D, ASP846B, ASP846D, ASP853B, ASP853D, GLN848B, GLN848D, ILE857D, ILE891B, ILE891D, ILE913B, ILE913D, LYS847B, LYS847D, MET888B, MET888D, PRO926B, PRO926D, SER886B, SER886D, SER887B, SER887D, SER890B, SER890D, THR892B, THR892D, THR914B, THR914D, THR925B, THR925D, TRP894B, TRP894D, TYR850B, TYR850D, TYR851B, TYR851D, TYR885B, TYR885D, TYR929B, TYR929D, VAL845B, VAL845D, VAL923B, VAL923D, VAL928B, VAL928D
• C-D: ARG903C, ARG903D, ASN922D, ASN924D, GLU901C, GLY905D, GLY920C, PRO919C, PRO926D, SER900C, SER904C, SER904D, THR898C, THR925D, VAL906C, VAL906D, VAL923D