1MPE

ensemble of 20 structures of the tetrameric mutant of the b1 domain of streptococcal protein g

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 68
  • Norm. En. per Res.: -6.3573
• 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	-77.5441	-11.1731	-275.288	-364.0053	71	36	14	11314	0	9	8
A-C	-111.9327	3.0984	-310.001	-418.8353	68	22	2	9942	2	18	16
A-D	-45.1552	0.0	-130.899	-176.0542	35	8	2	4955	0	5	7
B-C	-45.095	0.0	-130.931	-176.026	34	6	2	4920	0	5	7
B-D	-111.4997	3.4375	-324.235	-432.2972	68	18	2	9949	2	18	16
C-D	-73.9688	-11.034	-273.593	-358.5959	71	32	14	11080	0	9	8

Interface residues

• A-B: ALA20A, ALA20B, ALA23A, ALA23B, ALA24A, ALA24B, ASN35A, ASN37A, ASN37B, ASN8A, ASN8B, ASP22A, ASP22B, ASP36A, ASP36B, ASP46A, ASP46B, ASP47A, ASP47B, GLN2A, GLN2B, GLU19A, GLU19B, GLU27A, GLU27B, GLY38A, GLY38B, GLY9A, GLY9B, ILE6A, ILE6B, LEU7A, LEU7B, LYS10A, LYS10B, LYS28A, LYS28B, LYS4A, LYS4B, MET1A, MET1B, PHE26A, PHE26B, PHE33A, PHE33B, PHE34A, PHE34B, THR18A, THR18B, THR25A, THR25B, THR44A, THR44B, THR49A, THR49B, TRP43A, TRP43B, TYR3A, TYR3B, TYR45A, TYR45B, VAL21A, VAL21B, VAL29A, VAL29B, VAL30A, VAL30B, VAL39A, VAL39B, VAL5A, VAL5B
• A-C: ALA23A, ALA23C, ALA24A, ALA24C, ALA48A, ALA48C, ASN35A, ASN35C, ASN37A, ASP22A, ASP40A, ASP40C, ASP46A, ASP46C, ASP47A, ASP47C, GLN2A, GLN2C, GLU27A, GLU27C, GLU42A, GLU42C, GLU56A, GLU56C, GLY38A, GLY38C, GLY41A, GLY41C, ILE6A, ILE6C, LEU7A, LEU7C, LYS31A, LYS31C, LYS4A, LYS4C, LYS50A, LYS50C, PHE26A, PHE26C, PHE34A, PHE34C, PHE52A, PHE52C, THR44A, THR44C, THR49A, THR49C, THR51A, THR51C, THR53A, THR53C, THR55A, THR55C, TRP43A, TRP43C, TYR3A, TYR3C, TYR45A, TYR45C, VAL30A, VAL30C, VAL39A, VAL39C, VAL54A, VAL54C, VAL5A, VAL5C
• A-D: ALA48A, ALA48D, ASP46A, ASP46D, ASP47A, ASP47D, GLN2A, GLN2D, ILE6A, ILE6D, LEU7A, LEU7D, LYS10D, LYS4A, LYS4D, LYS50A, LYS50D, MET1A, MET1D, PHE52A, PHE52D, THR49A, THR49D, THR51A, THR51D, THR53A, THR53D, TYR3A, TYR3D, VAL21A, VAL21D, VAL54A, VAL54D, VAL5A, VAL5D
• B-C: ALA48B, ALA48C, ASP46B, ASP46C, ASP47B, ASP47C, GLN2B, GLN2C, ILE6B, ILE6C, LEU7B, LEU7C, LYS4B, LYS4C, LYS50B, LYS50C, MET1B, MET1C, PHE52B, PHE52C, THR49B, THR49C, THR51B, THR51C, THR53B, THR53C, TYR3B, TYR3C, VAL21B, VAL21C, VAL54B, VAL54C, VAL5B, VAL5C
• B-D: ALA23B, ALA23D, ALA24B, ALA24D, ALA48B, ALA48D, ASN35B, ASN35D, ASN8D, ASP22D, ASP40B, ASP40D, ASP46B, ASP46D, ASP47B, ASP47D, GLN2B, GLN2D, GLU27B, GLU27D, GLU42B, GLU42D, GLU56B, GLU56D, GLY38B, GLY38D, GLY41B, GLY41D, ILE6B, ILE6D, LEU7B, LEU7D, LYS31B, LYS31D, LYS4B, LYS4D, LYS50B, LYS50D, PHE26B, PHE26D, PHE34B, PHE34D, PHE52B, PHE52D, THR44B, THR44D, THR49B, THR49D, THR51B, THR51D, THR53B, THR53D, THR55B, THR55D, TRP43B, TRP43D, TYR3B, TYR3D, TYR45B, TYR45D, VAL30B, VAL30D, VAL39B, VAL39D, VAL54B, VAL54D, VAL5B, VAL5D
• C-D: ALA20C, ALA20D, ALA23C, ALA23D, ALA24C, ALA24D, ASN37C, ASN37D, ASN8C, ASN8D, ASP22C, ASP22D, ASP36C, ASP36D, ASP46C, ASP46D, ASP47C, ASP47D, GLN2C, GLN2D, GLU19C, GLU19D, GLU27C, GLU27D, GLY38C, GLY38D, GLY9C, GLY9D, ILE6C, ILE6D, LEU7C, LEU7D, LYS10C, LYS10D, LYS28C, LYS28D, LYS4C, LYS4D, MET1C, MET1D, PHE26C, PHE26D, PHE33C, PHE33D, PHE34C, PHE34D, THR17C, THR18C, THR18D, THR25C, THR25D, THR44C, THR44D, THR49C, THR49D, TRP43C, TRP43D, TYR3C, TYR3D, TYR45C, TYR45D, VAL21C, VAL21D, VAL29C, VAL29D, VAL30C, VAL30D, VAL39C, VAL39D, VAL5C, VAL5D