3JW4

the structure of a putative marr family transcriptional regulator from clostridium acetobutylicum

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 105
  • Norm. En. per Res.: -5.5454
• 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	-110.4072	-24.2391	-447.622	-582.2682	105	17	24	19175	4	15	35
A-C	-23.0635	-78.4496	-90.1914	-191.7045	56	4	0	4206	6	24	14
B-C	0.0	-9.2514	-43.3059	-52.5573	25	0	0	1724	0	4	3

Interface residues

• A-B: ALA27A, ALA27B, ARG143A, ARG143B, ARG17A, ARG17B, ARG42B, ASN112A, ASN112B, ASN113A, ASN113B, ASN142A, ASN142B, ASP129A, ASP129B, ASP9A, ASP9A5, ASP9B, CB7.8164422.92313, GLN131A, GLN131B, GLN133A, GLN133B, GLU117A, GLU117B, GLU119A, GLU119B, GLU120A, GLU120B, GLU130A, GLU130B, GLU49B, GLY125A, GLY125B, GLY20A, GLY20B, ILE114A, ILE114B, ILE122A, ILE122B, ILE137A, ILE137B, ILE139A, ILE139B, ILE16A, ILE16B, ILE19A, ILE19B, LEU116A, LEU116B, LEU126A, LEU126B, LEU134A, LEU134B, LEU138A, LEU138B, LEU15A, LEU15B, LEU23A, LEU23B, LEU7B, LYS124A, LYS124B, LYS128A, LYS128B, LYS132A, LYS132B, LYS140A, LYS140B, LYS22A, LYS22B, LYS24A, LYS24B, PHE111A, PHE111B, PHE115A, PHE115B, PRO11A, PRO11B, SER121A, SER121B, SER136A, SER136B, SER13A, SER13B, SER144A, SER144B, SER18A, SER18B, SER38B, THR10A, THR10B, THR123A, THR123B, THR127A, THR127B, THR25A, TYR12A, TYR12B, TYR14A, TYR14B, VAL118A, VAL118B, VAL141A, VAL141B
• A-C: ALA105C, ALA106C, ARG143A, ARG30C, ARG87C, ASN112A, ASN113A, ASN113C, ASN142A, ASP129A, GLN131A, GLN133A, GLN51C, GLU109A, GLU109C, GLU110C, GLU117C, GLU119A, GLU120A, GLU130A, GLU33C, GLU52C, GLU79C, GLU85C, GLY104C, GLY77C, GLY82C, ILE114C, ILE122A, ILE137A, ILE139A, LEU101C, LEU107C, LEU116A, LEU126A, LEU134A, LEU138A, LEU31C, LEU34C, LEU36C, LYS103C, LYS128A, LYS132A, LYS140A, LYS80C, LYS81C, PHE111C, PRO102C, SER136A, THR123A, THR127A, TYR48C, TYR83C, TYR99C, VAL100C, VAL108C
• B-C: ALA106C, ALA32C, ASP9B, GLU110C, GLU33C, GLY104C, GLY35C, GLY77C, GLY82C, LEU101C, LEU107C, LEU15B, LEU34C, LEU78C, LEU7B, LYS103C, LYS80C, LYS81C, PRO102C, PRO11B, SER13B, THR10B, TYR12B, TYR14B, TYR83C