3O6U

crystal structure of cpe2226 protein from clostridium perfringens. northeast structural genomics consortium target cpr195

• Total interactions analyzed: 10
• Total true interactions: 7
• Strongest Interaction:
  • Chains: C-E
  • Int. Res.: 47
  • Norm. En. per Res.: -3.1072
• 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	0.0	7.0209	-38.0634	-31.0425	23	1	1	1577	0	8	7
A-C	-38.2094	-4.6829	-113.79	-156.6823	59	3	0	4006	2	20	19
A-D	-22.7993	-4.6068	-38.8893	-66.2954	33	11	0	1664	2	7	6
B-C	-11.43	13.3799	-37.6495	-35.6996	37	1	0	1674	1	9	8
B-E	0.0	-0.873	-11.1509	-12.0239	21	0	0	588	0	13	16
C-D	0.0	5.0811	-34.1617	-29.0806	23	0	0	1541	0	9	8
C-E	-18.4022	-50.513	-77.123	-146.0382	47	3	2	3539	5	34	35

Interface residues

• A-B: ALA41A, ASN68A, ASN72A, ASN82B, ASP42A, ASP43A, ASP80B, GLU70A, GLU83B, GLY45A, GLY69A, GLY87B, GLY90B, HIS44A, LYS40A, LYS47A, LYS79B, LYS84B, SER89B, THR71A, THR86B, TYR46A, VAL88B
• A-C: ALA118A, ALA118C, ASN68A, ASN68C, ASN82A, ASN82C, ASP42A, ASP42C, ASP43A, ASP43C, ASP78A, ASP78C, ASP80A, ASP80C, GLU149A, GLU83A, GLU83C, GLY117A, GLY117C, GLY45A, GLY45C, GLY87A, GLY87C, GLY90A, GLY90C, GLY92A, HIS44A, HIS44C, ILE115A, ILE115C, ILE91A, ILE91C, LYS75A, LYS75C, LYS79A, LYS84A, LYS84C, SER120A, SER120C, SER121A, SER121C, SER122A, SER122C, SER89A, SER89C, THR116A, THR116C, THR119A, THR119C, TYR46A, TYR46C, TYR81A, TYR81C, TYR96A, TYR96C, VAL114A, VAL114C, VAL88A, VAL88C
• A-D: ALA118A, ALA118D, ASP113A, ASP43D, GLN99A, GLU83A, GLU95A, GLY117A, GLY117D, GLY87A, GLY87D, GLY90A, GLY90D, GLY92A, HIS44D, ILE115A, ILE91A, ILE91D, LYS102A, LYS84A, LYS84D, PRO98A, SER120D, SER89A, SER89D, THR116A, THR119A, THR119D, THR86A, TYR81D, TYR96A, VAL88A, VAL88D
• B-C: ALA118B, ALA118C, ALA94C, ASN123B, ASP113C, ASP42B, ASP43B, GLN99C, GLU83C, GLU95C, GLY117B, GLY117C, GLY87B, GLY87C, GLY90B, GLY90C, GLY92C, HIS44B, ILE115C, ILE91B, ILE91C, LYS102C, LYS84B, LYS84C, PRO98C, SER120B, SER89B, SER89C, THR116C, THR119B, THR119C, THR86C, TYR81B, TYR96C, VAL114C, VAL88B, VAL88C
• B-E: ALA41B, ALA41E, ASN68B, ASN68E, ASN72E, ASP42B, ASP43B, ASP43E, GLU70B, GLU70E, GLY45B, GLY69B, GLY69E, HIS44B, HIS44E, LYS40B, LYS40E, LYS47E, THR71B, THR71E, TYR46B
• C-D: ALA41C, ASN68C, ASN72C, ASN82D, ASP42C, ASP43C, ASP80D, GLU70C, GLU83D, GLY45C, GLY69C, GLY87D, GLY90D, HIS44C, LYS40C, LYS47C, LYS79D, LYS84D, SER89D, THR71C, THR86D, TYR46C, VAL88D
• C-E: ALA143E, ALA39E, ALA41E, ALA73C, ALA94C, ARG76C, ASN135E, ASN72C, ASN82C, ASP147E, ASP78C, ASP80C, GLN99C, GLU101C, GLU138E, GLU142E, GLU149E, GLU37E, GLU77C, GLU83C, GLU95C, GLU97C, GLY92C, ILE91C, LEU145E, LEU148E, LYS102C, LYS131E, LYS134E, LYS140E, LYS40E, LYS47E, LYS49E, LYS63C, LYS75C, LYS79C, PHE67E, PRO93C, PRO98C, THR144E, THR35E, THR38E, THR71C, TYR81C, TYR96C, VAL146E, VAL36E