2VLB

structure of unliganded arylmalonate decarboxylase

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 71
  • Norm. En. per Res.: -3.334
• 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	-6.5804	-18.3973	-77.4589	-102.4365	46	1	1	3255	0	6	10
A-D	-23.2941	4.017	-200.656	-219.9331	72	3	27	7946	4	20	20
B-C	-21.5102	-45.15	-170.051	-236.7113	71	3	27	7550	6	21	17
B-D	-20.2912	-26.3152	-27.1944	-73.8008	30	1	0	1069	2	14	18
C-D	-9.986	3.8012	-69.6082	-75.793	47	2	0	2997	0	6	10

Interface residues

• A-B: ALA16B, ALA17B, ALA223A, ALA35B, ALA67A, ALA68A, ALA92A, ALA96A, ARG221A, ARG60A, ARG60B, ARG61B, ARG94A, ASP57B, CYS101A, GLN63A, GLN63B, GLN65B, GLU95A, GLY18B, GLY224A, GLY225A, GLY226A, GLY37B, GLY39B, GLY66A, GLY66B, GLY98A, HIS58B, ILE34B, LEU19B, LEU222A, LEU62B, LEU99A, LYS64A, LYS64B, MET93A, PRO100A, PRO15B, PRO7A, SER36B, THR6A, THR8A, THR97A, VAL56A, VAL69A
• A-D: ALA136D, ALA139D, ALA50A, ALA50D, ALA83A, ALA83D, ALA84A, ALA84D, ALA87A, ALA87D, ALA88A, ALA88D, ALA92A, ALA92D, ALA96A, ALA96D, ARG60A, ARG60D, ARG81A, ARG81D, ARG94A, ARG94D, ASN86A, ASN86D, ASP49A, ASP49D, ASP57A, ASP57D, GLU140A, GLU140D, GLU141A, GLU141D, GLU53A, GLU53D, GLU95A, GLU95D, GLY47A, GLY47D, GLY82A, GLY82D, GLY98A, GLY98D, ILE52A, ILE52D, LEU109A, LEU109D, LEU138D, LEU77A, LEU89A, LEU89D, MET93A, MET93D, PHE137A, PHE137D, PHE85A, PHE85D, SER142D, SER54A, THR90A, THR90D, THR97A, THR97D, TYR48A, TYR48D, VAL51A, VAL51D, VAL55A, VAL55D, VAL56A, VAL56D, VAL91A, VAL91D
• B-C: ALA50B, ALA50C, ALA83B, ALA83C, ALA84B, ALA84C, ALA87B, ALA87C, ALA88B, ALA88C, ALA92B, ALA92C, ALA96B, ALA96C, ARG113C, ARG133C, ARG60B, ARG60C, ARG81B, ARG81C, ARG94B, ARG94C, ASN86B, ASN86C, ASP49B, ASP49C, ASP57B, ASP57C, GLU140B, GLU140C, GLU141B, GLU141C, GLU53B, GLU53C, GLU95B, GLU95C, GLY82B, GLY82C, GLY98B, GLY98C, ILE52B, ILE52C, LEU109C, LEU77C, LEU89B, LEU89C, MET93B, MET93C, PHE137C, PHE85B, PHE85C, SER54B, SER54C, THR106B, THR106C, THR90B, THR90C, THR97B, THR97C, TYR48B, TYR48C, TYR80B, TYR80C, VAL51B, VAL51C, VAL55B, VAL55C, VAL56B, VAL56C, VAL91B, VAL91C
• B-D: ALA92B, ALA92D, ALA96B, ALA96D, ARG60B, ARG60D, ARG61B, ARG61D, ARG94B, ARG94D, ASP57B, ASP57D, GLN63B, GLN63D, GLU53B, GLU53D, GLU95B, GLU95D, GLY98B, GLY98D, LEU99D, LYS64B, LYS64D, MET93D, THR97B, THR97D, VAL56B, VAL56D, VAL91B, VAL91D
• C-D: ALA16D, ALA17D, ALA223C, ALA35D, ALA67C, ALA68C, ALA92C, ALA96C, ARG221C, ARG60C, ARG60D, ARG61D, ARG94C, ASP57D, CYS101C, GLN63C, GLN63D, GLN65D, GLU95C, GLY18D, GLY224C, GLY225C, GLY226C, GLY37D, GLY39D, GLY66C, GLY66D, GLY98C, HIS58D, ILE34D, LEU19D, LEU222C, LEU62D, LEU99C, LYS64C, LYS64D, MET93C, PRO100C, PRO15D, PRO7C, SER36D, THR6C, THR8C, THR97C, VAL220C, VAL56C, VAL69C