2CAX

structural basis for cooperative binding of ribbon-helix- helix repressor omega to mutated direct dna heptad repeats

• Total interactions analyzed: 28
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 93
  • Norm. En. per Res.: -8.1053
• 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	-130.1988	-115.3743	-511.208	-756.781	94	20	21	21071	8	68	67
A-C	-10.4228	9.7525	-61.0329	-61.7032	30	2	3	2749	0	8	11
A-D	0.0	0.0	-0.0083	-0.0083	4	0	0	8	0	0	2
B-C	0.0	0.0	-0.0088	-0.0088	2	0	0	9	0	0	1
C-D	-141.8368	-81.6586	-530.295	-753.7903	93	29	22	21906	5	64	64

Interface residues

• A-B: ALA34A, ALA34B, ALA58A, ALA58B, ARG31A, ARG31B, ARG33A, ARG33B, ARG64A, ARG64B, ASN47A, ASN47B, ASN50A, ASN50B, ASP23A, ASP23B, ASP27A, ASP27B, ASP35A, ASP35B, ASP56A, ASP56B, ASP69A, ASP69B, GLN57A, GLN57B, GLU43A, GLU43B, GLU53A, GLU53B, GLU60A, GLU60B, GLU61A, GLU61B, GLY26A, GLY26B, HIS37A, HIS37B, HIS38A, HIS38B, ILE24A, ILE24B, ILE39A, ILE39B, ILE40A, ILE40B, ILE42A, ILE42B, ILE63A, ILE63B, LEU36A, LEU36B, LEU59A, LEU59B, LEU67A, LEU67B, LEU71A, LEU71B, LYS21A, LYS22A, LYS28A, LYS28B, LYS41A, LYS41B, LYS46A, LYS46B, LYS52A, LYS52B, LYS65A, LYS65B, LYS70A, LYS70B, MET25A, MET25B, MET55A, MET55B, PRO68A, PRO68B, THR29A, THR29B, THR44A, THR44B, TYR62A, TYR62B, TYR66A, TYR66B, VAL30A, VAL30B, VAL32A, VAL32B, VAL51A, VAL51B, VAL54A, VAL54B
• A-C: ALA45A, ALA45C, ASN47A, ASN47C, ASN50A, ASN50C, GLU43A, GLU43C, GLY48A, GLY48C, GLY49A, GLY49C, HIS37A, HIS37C, HIS38A, HIS38C, ILE39A, ILE39C, ILE40A, ILE40C, ILE42A, ILE42C, LYS41A, LYS41C, LYS46A, LYS46C, THR44A, THR44C, VAL51A, VAL51C
• A-D: ALA45A, GLY48A, GLY49A, LYS28D
• B-C: LYS46C, LYS70B
• C-D: ALA20C, ALA34C, ALA34D, ALA58C, ALA58D, ARG31C, ARG31D, ARG33C, ARG33D, ARG64C, ARG64D, ASN47C, ASN47D, ASN50C, ASN50D, ASP23C, ASP27C, ASP27D, ASP35C, ASP35D, ASP56C, ASP56D, ASP69C, ASP69D, GLN57C, GLN57D, GLU43C, GLU43D, GLU53C, GLU53D, GLU60C, GLU60D, GLU61C, GLU61D, GLY26C, GLY26D, HIS37C, HIS37D, HIS38C, HIS38D, ILE24C, ILE39C, ILE39D, ILE40C, ILE40D, ILE42C, ILE42D, ILE63C, ILE63D, LEU36C, LEU36D, LEU59C, LEU59D, LEU67C, LEU67D, LEU71C, LEU71D, LYS21C, LYS22C, LYS28C, LYS28D, LYS41C, LYS41D, LYS46C, LYS46D, LYS52C, LYS52D, LYS65C, LYS65D, LYS70C, LYS70D, MET19C, MET25C, MET25D, MET55C, MET55D, PRO68C, THR29C, THR29D, THR44C, THR44D, TYR62C, TYR62D, TYR66C, TYR66D, VAL30C, VAL30D, VAL32C, VAL32D, VAL51C, VAL51D, VAL54C, VAL54D