3AFI

crystal structure of dbja (his-dbja)

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: E-A
  • Int. Res.: 93
  • Norm. En. per Res.: -2.6021
• 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
E-A	-20.6819	28.334	-249.643	-241.9909	93	8	13	10730	0	14	13
A-B	-18.6107	-2.2627	-132.428	-153.3014	81	4	2	6041	2	51	46
B-F	-6.3902	29.0	-230.264	-207.6542	87	7	13	10179	0	13	11

Interface residues

• E-A: ALA239A, ALA271A, ALA271E, ALA287E, ALA289A, ALA289E, ALA295A, ALA295E, ALA299A, ALA299E, ALA303A, ALA303E, ARG121A, ARG121E, ARG269A, ARG269E, ARG274A, ARG274E, ARG292A, ARG292E, ARG305A, ARG305E, ASP288A, ASP288E, CYS270A, CYS270E, GLN307E, GLU261A, GLU302A, GLU302E, GLY122A, GLY249A, GLY276A, GLY276E, GLY291A, GLY291E, GLY296A, GLY296E, GLY300A, GLY300E, HIS286A, HIS286E, ILE273A, ILE273E, ILE290A, ILE290E, ILE298A, ILE298E, ILE301A, ILE301E, LEU123A, LEU245A, LEU245E, LEU246A, LEU272A, LEU272E, LEU275A, LEU275E, LEU51A, LEU51E, LYS244A, LYS244E, PHE247A, PHE247E, PRO243A, PRO243E, PRO306A, PRO306E, PRO50E, PRO54A, PRO54E, SER240A, SER241A, SER241E, SER293A, SER293E, SER53E, THR248A, THR268A, THR268E, TRP297A, TRP297E, TYR242A, TYR242E, TYR98A, TYR98E, VAL294A, VAL294E, VAL304A, VAL304E, VAL52E, VAL55A, VAL55E
• A-B: ALA113A, ALA114A, ALA168B, ALA212B, ALA220B, ALA224A, ALA224B, ALA229A, ALA233A, ALA236A, ALA239A, ALA75A, ALA75B, ALA87A, ARG115A, ARG116A, ARG161B, ARG208A, ARG208B, ARG215B, ARG77A, ARG77B, ARG83A, ARG83B, ASP118A, ASP225A, ASP225B, ASP73A, ASP73B, ASP80A, ASP80B, ASP86A, GLN91A, GLU165B, GLU167B, GLU205B, GLU216B, GLU222A, GLU222B, GLU228A, GLU228B, GLU90A, GLY164B, GLY166B, GLY16A, GLY221A, GLY221B, HIS111A, ILE74A, ILE74B, ILE89A, LEU112A, LEU15A, LEU15B, LEU171B, LEU211B, LEU85A, PHE119A, PHE78A, PHE79A, PHE79B, PHE88A, PRO117A, PRO13A, PRO163B, PRO223A, PRO223B, PRO72B, SER232A, THR162B, TYR227A, TYR227B, TYR76A, TYR76B, TYR84A, TYR84B, VAL14A, VAL226A, VAL226B, VAL82A, VAL82B
• B-F: ALA271B, ALA271F, ALA289B, ALA289F, ALA295B, ALA295F, ALA299B, ALA299F, ALA303B, ALA303F, ARG121B, ARG121F, ARG269B, ARG269F, ARG274B, ARG274F, ARG292B, ARG292F, ARG305F, ASP288B, ASP288F, CYS270B, CYS270F, GLU302B, GLU302F, GLY122B, GLY122F, GLY276B, GLY276F, GLY291B, GLY291F, GLY296B, GLY296F, GLY300B, GLY300F, HIS286B, HIS286F, ILE273B, ILE273F, ILE290B, ILE290F, ILE298B, ILE298F, ILE301B, ILE301F, LEU245B, LEU245F, LEU246B, LEU246F, LEU272B, LEU272F, LEU275B, LEU275F, LEU51B, LEU51F, LYS244B, LYS244F, PHE247B, PHE247F, PRO243B, PRO243F, PRO306F, PRO50B, PRO54B, PRO54F, SER241B, SER241F, SER293B, SER293F, SER53B, THR248B, THR248F, THR268B, THR268F, TRP297B, TRP297F, TYR242B, TYR242F, TYR98B, TYR98F, VAL294B, VAL294F, VAL304B, VAL304F, VAL52B, VAL55B, VAL55F