3GJN

following evolutionary paths to high affinity and selectivity protein-protein interactions using colicin7 and immunity proteins

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 63
  • Norm. En. per Res.: -4.171
• 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	-34.0407	-43.6451	-180.978	-258.6638	71	7	1	7365	3	51	16
A-C	-15.2457	-11.7787	-46.8568	-73.8812	38	3	0	1974	1	30	28
B-C	-28.853	-45.0478	-188.874	-262.7748	63	9	0	7725	6	50	60
B-D	-20.8184	-14.1265	-43.2862	-78.2311	37	5	0	1951	1	26	27
C-D	-55.6283	-51.2582	-175.514	-282.4005	72	14	1	7437	3	50	15

Interface residues

• A-B: ALA1025A, ALA1027A, ALA526B, ARG496B, ARG515B, ARG520B, ARG530B, ARG538B, ASN466B, ASN516B, ASN517B, ASN518B, ASP1024A, ASP1034A, ASP1051A, ASP1062A, ASP519B, ASP533B, CYS1023A, GLN512B, GLN532B, GLU1026A, GLU1030A, GLU1031A, GLU1032A, GLU1041A, GLY1049A, GLY524B, GLY536B, HIS1046A, ILE1022A, ILE1037A, ILE1053A, ILE1067A, LEU1033A, LEU1052A, LEU465B, LYS1035A, LYS1057A, LYS463B, LYS522B, LYS525B, LYS528B, LYS537B, MET521B, PHE1040A, PHE513B, PHE541B, PRO1047A, PRO1056A, PRO1064A, PRO527B, SER1029A, SER1048A, SER1050A, SER1063A, SER514B, SER540B, THR1020A, THR1021A, THR1028A, THR1038A, THR529B, THR531B, THR539B, TRP1055A, TRP464B, TYR1054A, VAL1019A, VAL523B, VAL534B
• A-C: ALA1025A, ALA481C, ARG479C, ARG485C, ASN482C, ASP1024A, ASP1060A, ASP1061A, ASP1062A, ASP478C, ASP486C, ASP506C, CYS1023A, GLU1026A, GLU1058A, GLU488C, GLU501C, GLU502C, GLU508C, GLY1059A, GLY1066A, ILE1053A, ILE1067A, ILE480C, LEU1016A, LEU484C, LYS483C, LYS487C, LYS498C, LYS505C, PRO1056A, PRO1064A, PRO507C, SER1063A, SER1065A, THR1020A, VAL1019A, VAL1068A
• B-C: ARG479B, ARG479C, ARG515B, ARG515C, ARG520B, ARG520C, ASN462B, ASN482B, ASN516B, ASN516C, ASN517B, ASN517C, ASN518B, ASN518C, ASP486C, ASP506B, ASP506C, ASP519B, ASP519C, GLN512B, GLN512C, GLU501B, GLU501C, GLU502B, GLU502C, GLU508B, GLU508C, GLY524B, ILE480B, ILE480C, LEU484B, LEU484C, LEU509B, LEU509C, LYS483B, LYS483C, LYS487B, LYS487C, LYS498B, LYS498C, LYS505B, LYS505C, LYS511B, LYS511C, LYS522B, LYS522C, MET521B, MET521C, PHE513B, PHE513C, PRO507B, PRO507C, SER504B, SER504C, SER510B, SER510C, SER514B, SER514C, TRP500B, VAL503B, VAL503C, VAL523B, VAL523C
• B-D: ALA1025D, ALA481B, ARG479B, ARG485B, ASN482B, ASP1024D, ASP1060D, ASP1061D, ASP1062D, ASP478B, ASP486B, ASP506B, CYS1023D, GLU1026D, GLU1058D, GLU488B, GLU501B, GLU502B, GLU508B, GLY1059D, GLY1066D, ILE1067D, ILE480B, LEU1016D, LEU484B, LYS483B, LYS487B, LYS498B, LYS505B, PRO1056D, PRO1064D, PRO507B, SER1063D, SER1065D, THR1020D, VAL1019D, VAL1068D
• C-D: ALA1025D, ALA1027D, ALA526C, ARG496C, ARG515C, ARG520C, ARG530C, ARG538C, ASN466C, ASN516C, ASN517C, ASN518C, ASP1024D, ASP1034D, ASP1051D, ASP1062D, ASP519C, ASP533C, CYS1023D, GLN512C, GLN532C, GLU1026D, GLU1030D, GLU1031D, GLU1032D, GLU1041D, GLU1058D, GLY1049D, GLY524C, GLY536C, HIS1046D, ILE1022D, ILE1037D, ILE1053D, ILE1067D, LEU1033D, LEU1052D, LEU465C, LYS1035D, LYS1057D, LYS463C, LYS522C, LYS525C, LYS528C, LYS537C, MET521C, PHE1040D, PHE513C, PHE541C, PRO1047D, PRO1056D, PRO1064D, PRO527C, SER1029D, SER1048D, SER1050D, SER1063D, SER514C, SER540C, THR1020D, THR1021D, THR1028D, THR1038D, THR529C, THR531C, THR539C, TRP1055D, TRP464C, TYR1054D, VAL1019D, VAL523C, VAL534C