3GKL

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: A-B
  • Int. Res.: 63
  • Norm. En. per Res.: -4.0661
• Hub Node: A(3)

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	-27.5596	-39.8523	-188.755	-256.1668	63	9	0	8027	7	49	59
A-C	-44.547	-32.8661	-170.592	-248.0051	68	8	1	7187	1	45	13
A-D	-5.1662	-14.8817	-42.833	-62.8808	34	1	0	1770	1	27	28
B-C	-4.0324	-15.4665	-42.0165	-61.5154	35	1	0	1689	1	23	25
B-D	-29.811	-50.9713	-170.728	-251.5103	68	4	1	6745	4	49	14

Interface residues

• A-B: ARG479A, ARG479B, ARG515A, ARG515B, ARG520A, ARG520B, ASN516A, ASN516B, ASN517A, ASN517B, ASN518A, ASN518B, ASP486A, ASP486B, ASP506A, ASP506B, ASP519A, ASP519B, GLN512A, GLN512B, GLU501A, GLU501B, GLU502A, GLU502B, GLU508A, GLU508B, GLY524A, GLY524B, ILE480A, ILE480B, LEU484A, LEU484B, LEU509A, LEU509B, LYS483A, LYS483B, LYS487A, LYS487B, LYS497A, LYS498A, LYS505A, LYS505B, LYS511A, LYS511B, LYS522A, LYS522B, MET521A, MET521B, PHE513A, PHE513B, PRO507A, PRO507B, SER504A, SER504B, SER510A, SER510B, SER514A, SER514B, TRP500B, VAL503A, VAL503B, VAL523A, VAL523B
• A-C: ALA1020C, ALA1025C, ALA1027C, ALA526A, ARG496A, ARG515A, ARG520A, ARG530A, ARG538A, ASN466A, ASN516A, ASN517A, ASN518A, ASP1024C, ASP1026C, ASP1034C, ASP1051C, ASP1062C, ASP519A, ASP533A, CYS1023C, GLN512A, GLN532A, GLU1030C, GLU1031C, GLU1057C, GLY1041C, GLY1049C, GLY524A, GLY536A, ILE1022C, ILE1037C, ILE1053C, ILE1067C, LEU1033C, LEU1036C, LEU1052C, LEU465A, LYS1035C, LYS463A, LYS522A, LYS525A, LYS528A, LYS537A, MET521A, PHE513A, PHE541A, PRO1047C, PRO1056C, PRO1064C, PRO527A, SER1029C, SER1048C, SER1050C, SER1063C, SER514A, SER540A, THR1021C, THR1028C, THR1038C, THR529A, THR531A, THR539A, TYR1054C, TYR1055C, VAL1019C, VAL523A, VAL534A
• A-D: ALA1020D, ALA1025D, ALA481A, ARG479A, ARG485A, ASN482A, ASP1024D, ASP1026D, ASP1060D, ASP1061D, ASP1062D, ASP478A, ASP486A, ASP506A, CYS1023D, GLN1017D, GLY1059D, GLY1066D, ILE1067D, ILE480A, LEU1016D, LEU484A, LYS452A, LYS483A, LYS487A, LYS498A, LYS505A, PRO1056D, PRO1064D, PRO507A, SER1063D, SER1065D, VAL1019D, VAL1068D
• B-C: ALA1020C, ALA1025C, ALA481B, ARG479B, ARG485B, ASN482B, ASP1024C, ASP1026C, ASP1060C, ASP1061C, ASP1062C, ASP478B, ASP486B, ASP506B, CYS1023C, GLN1017C, GLU1058C, GLU502B, GLU508B, GLY1059C, GLY1066C, ILE1067C, ILE480B, LEU1016C, LEU484B, LYS452B, LYS483B, LYS487B, LYS505B, PRO1056C, PRO1064C, PRO507B, SER1063C, SER1065C, VAL1019C
• B-D: ALA1020D, ALA1025D, ALA1027D, ALA526B, ARG515B, ARG520B, ARG530B, ARG538B, ASN466B, ASN516B, ASN517B, ASN518B, ASP1024D, ASP1026D, ASP1034D, ASP1051D, ASP1062D, ASP519B, ASP533B, CYS1023D, GLN512B, GLN532B, GLU1030D, GLU1031D, GLU1032D, GLU1057D, GLY1041D, GLY1049D, GLY524B, GLY536B, HIS1046D, ILE1022D, ILE1037D, ILE1053D, ILE1067D, LEU1033D, LEU1052D, LEU465B, LYS1035D, LYS497B, LYS522B, LYS525B, LYS528B, LYS537B, MET521B, PHE513B, PHE541B, PRO1047D, PRO1056D, PRO1064D, PRO527B, SER1029D, SER1048D, SER1050D, SER1063D, SER514B, SER540B, THR1028D, THR1038D, THR529B, THR531B, THR539B, THR565B, TYR1054D, TYR1055D, VAL1019D, VAL523B, VAL534B