1LE9

crystal structure of a nf-kb heterodimer bound to the ig/hiv-kb siti

• Total interactions analyzed: 28
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 63
  • Norm. En. per Res.: -4.8053
• 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	-42.6464	-77.4031	-182.684	-302.7334	63	21	7	7119	4	17	30
A-E	-33.6045	-110.5709	-227.628	-371.8035	114	16	2	9770	5	44	39
E-F	0.0	-78.2409	-196.728	-274.9689	65	19	7	7561	6	17	34

Interface residues

• A-B: ALA242A, ALA249A, ALA308B, ARG198A, ARG201A, ARG246A, ARG252B, ARG255B, ARG305B, ARG33A, ASN200A, ASN202A, ASP217A, ASP243A, ASP254B, ASP271B, ASP302B, CYS197A, CYS216A, CYS270B, CYS38A, GLN247A, GLN306B, GLU211A, GLU265B, HIS245A, HIS304B, ILE196A, ILE212A, ILE250A, ILE250B, ILE266B, ILE309B, LEU214A, LEU215A, LEU268B, LEU269B, LYS145B, LYS195A, LYS218A, LYS249B, LYS272B, LYS312B, MET253B, PHE213A, PHE239A, PHE252A, PHE298B, PHE307B, PHE311B, SER240A, SER299B, THR301B, TYR267B, VAL199A, VAL219A, VAL244A, VAL248A, VAL251A, VAL251B, VAL273B, VAL303B, VAL310B
• A-E: ALA156E, ALA235A, ALA235E, ALA258A, ALA258E, ARG149A, ARG149E, ARG158A, ARG158E, ARG236A, ARG236E, ARG253A, ARG273A, ARG273E, ARG274E, ARG278A, ARG278E, ARG84A, ARG84E, ASN139A, ASN139E, ASP151A, ASP153E, ASP259A, ASP259E, ASP277E, ASP80A, ASP80E, GLN148A, GLN148E, GLN162E, GLN271A, GLN271E, GLU146A, GLU146E, GLU147A, GLU147E, GLU225A, GLU225E, GLU234A, GLU234E, GLU279A, GLU279E, GLY150A, GLY208E, GLY230A, GLY230E, GLY232A, GLY232E, GLY237A, GLY237E, HIS142A, HIS142E, HIS83A, HIS83E, ILE145A, ILE145E, LEU174E, LEU175A, LEU175E, LEU179A, LEU179E, LEU280A, LEU280E, LYS79A, LYS79E, PHE141A, PHE141E, PHE184E, PHE228A, PHE228E, PRO140A, PRO140E, PRO144A, PRO144E, PRO177A, PRO177E, PRO182A, PRO182E, PRO231A, PRO231E, PRO255A, PRO255E, PRO256A, PRO256E, PRO260A, PRO260E, PRO275A, PRO275E, PRO81A, PRO81E, PRO82A, PRO82E, SER238A, SER238E, SER276E, THR176A, THR176E, THR229A, THR229E, THR254E, THR78A, TRP233A, TRP233E, TYR152A, TYR227A, TYR227E, TYR257A, TYR257E, VAL143A, VAL143E, VAL178A, VAL178E, VAL77E
• E-F: ALA242E, ALA249E, ALA308F, ARG124E, ARG198E, ARG201E, ARG246E, ARG252F, ARG253E, ARG255F, ARG305F, ARG54F, ASN200E, ASP217E, ASP243E, ASP254F, ASP271F, ASP302F, CYS197E, CYS216E, CYS270F, GLN247E, GLN306F, GLU211E, GLU265F, HIS245E, HIS304F, ILE196E, ILE212E, ILE250E, ILE250F, ILE266F, ILE309F, LEU214E, LEU215E, LEU268F, LEU269F, LEU272E, LYS122E, LYS145F, LYS195E, LYS218E, LYS249F, LYS272F, LYS312F, MET253F, MET284E, PHE213E, PHE239E, PHE252E, PHE298F, PHE307F, PHE311F, SER240E, SER299F, THR301F, TYR267F, VAL199E, VAL219E, VAL244E, VAL248E, VAL251E, VAL251F, VAL303F, VAL310F