1TQE

mechanism of recruitment of class ii histone deacetylases by myocyte enhancer factor-2

• Total interactions analyzed: 45
• Total true interactions: 14
• Strongest Interaction:
  • Chains: P-Q
  • Int. Res.: 165
  • Norm. En. per Res.: -7.1921
• Hub Node: P(5)

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
P-Q	-170.0717	-106.156	-910.466	-1186.6937	165	59	27	36615	9	67	50
P-X	-5.5418	0.2794	-71.6279	-76.8903	44	7	3	3627	0	9	9
P-R	0.0	-12.277	-34.6834	-46.9604	17	9	0	1094	0	7	8
P-S	0.0	-6.1616	-1.6068	-7.7685	7	0	0	202	0	3	1
P-Y	0.0	0.0	-0.0187	-0.0187	2	0	0	13	0	1	1
Q-X	-7.8609	-12.9991	-138.062	-158.922	52	13	3	6394	2	10	9
Q-R	0.0	-27.9048	-6.6239	-34.5287	9	0	0	256	2	3	1
Q-S	0.0	0.0	-0.0015	-0.0015	2	0	0	1	0	1	0
Q-Y	0.0	0.0	-0.9521	-0.9521	7	0	0	128	0	0	1
X-R	0.0	0.0	-0.0184	-0.0184	2	0	0	10	0	0	1
X-S	0.0	0.0	-0.8615	-0.8615	7	0	0	122	0	0	1
R-S	-160.5042	-103.5341	-909.488	-1173.5263	164	74	26	37153	10	68	50
R-Y	0.0	0.1633	-64.8212	-64.6579	44	8	3	3597	0	9	9
S-Y	-7.0041	-13.1444	-138.555	-158.7035	50	10	3	6198	2	10	8

Interface residues

• P-Q: ALA32P, ALA32Q, ALA44P, ALA44Q, ALA51P, ALA51Q, ALA58P, ALA58Q, ARG10P, ARG10Q, ARG17P, ARG17Q, ARG24P, ARG24Q, ARG53P, ARG53Q, ARG64P, ARG64Q, ARG79P, ARG79Q, ARG90Q, ARG91P, ARG91Q, ASN16P, ASN16Q, ASN49P, ASN49Q, ASN52P, ASN52Q, ASN81P, ASN81Q, ASP40P, ASP40Q, ASP61P, ASP61Q, ASP63P, ASP63Q, ASP83P, ASP83Q, CYS39P, CYS39Q, CYS41P, CYS41Q, GLN18P, GLN18Q, GLN56P, GLN56Q, GLN7P, GLN7Q, GLU34P, GLU34Q, GLU42P, GLU42Q, GLU71P, GLU71Q, GLU74P, GLU74Q, GLU77P, GLU77Q, GLU86P, GLU86Q, GLY27P, GLY27Q, HIS76P, HIS76Q, ILE11P, ILE11Q, ILE43P, ILE43Q, ILE46P, ILE46Q, ILE47P, ILE47Q, ILE6P, ILE6Q, ILE84P, ILE84Q, ILE8P, ILE8Q, LEU12P, LEU12Q, LEU28P, LEU28Q, LEU35P, LEU35Q, LEU38P, LEU38Q, LEU45P, LEU45Q, LEU54P, LEU54Q, LEU66P, LEU66Q, LEU67P, LEU67Q, LEU85P, LEU85Q, LEU88P, LEU88Q, LYS23P, LYS23Q, LYS25P, LYS25Q, LYS30P, LYS30Q, LYS31P, LYS31Q, LYS68P, LYS68Q, LYS89P, LYS89Q, MET29P, MET29Q, MET62P, MET62Q, PHE21P, PHE21Q, PHE26P, PHE26Q, PHE48P, PHE48Q, PHE55P, PHE55Q, PRO75P, PRO75Q, SER36P, SER36Q, SER50P, SER50Q, SER59P, SER59Q, SER73P, SER73Q, SER78P, SER78Q, SER9P, SER9Q, THR20P, THR20Q, THR22P, THR22Q, THR60P, THR60Q, THR70P, THR70Q, THR80P, THR80Q, THR82P, THR82Q, THR87P, THR87Q, TYR33P, TYR33Q, TYR57P, TYR57Q, TYR69P, TYR69Q, TYR72P, TYR72Q, VAL19P, VAL19Q, VAL37P, VAL37Q, VAL65P, VAL65Q
• P-X: ALA109X, ALA58P, ARG53P, ARG64P, ASP61P, ASP63P, GLN115X, GLN118X, GLN56P, GLU112X, GLU119X, GLU71P, GLU74P, GLY106X, GLY108X, ILE46P, LEU117X, LEU121X, LEU54P, LEU66P, LEU67P, LYS105X, LYS114X, LYS116X, LYS124X, LYS68P, MET62P, PHE120X, PHE26P, PHE55P, PRO104X, PRO75P, SER103X, SER110X, SER73P, SER78P, THR107X, THR111X, THR70P, TYR57P, TYR69P, TYR72P, VAL113X, VAL65P
• P-R: ARG90P, ARG90R, GLU71P, GLU71R, GLU74P, GLU74R, GLU77P, GLU77R, HIS76P, HIS76R, PRO75P, PRO75R, SER73P, SER73R, SER78P, TYR72P, TYR72R
• P-S: ARG53S, ASN52S, GLU74P, LEU54S, PHE48S, PRO75P, SER73P
• P-Y: HIS76P, LYS124Y
• Q-X: ALA109X, ARG64Q, ARG79Q, ARG90Q, ARG91Q, ASP61Q, ASP63Q, ASP83Q, GLN115X, GLN118X, GLN56Q, GLU119X, GLU71Q, GLU74Q, GLU77Q, GLU86Q, GLY106X, GLY108X, HIS76Q, ILE46Q, ILE84Q, LEU117X, LEU121X, LEU122X, LEU54Q, LEU66Q, LEU67Q, LYS105X, LYS114X, LYS116X, LYS124X, LYS68Q, MET62Q, PHE120X, PRO104X, PRO75Q, SER103X, SER110X, SER123X, SER125X, SER73Q, SER78Q, THR107X, THR111X, THR70Q, THR80Q, THR82Q, THR87Q, TYR69Q, TYR72Q, VAL113X, VAL65Q
• Q-R: ALA51Q, ARG53Q, ASN52Q, GLU74R, HIS76R, LEU54Q, PHE48Q, PRO75R, SER73R
• Q-S: ARG53S, ASP63Q
• Q-Y: ALA51Q, ARG53Q, GLN14Q, LYS124Y, PHE120Y, SER123Y, SER125Y
• X-R: HIS76R, LYS124X
• X-S: ALA51S, ARG53S, GLN14S, LYS124X, PHE120X, SER123X, SER125X
• R-S: ALA32R, ALA32S, ALA44R, ALA44S, ALA51R, ALA51S, ALA58R, ALA58S, ARG10R, ARG10S, ARG17R, ARG17S, ARG24R, ARG24S, ARG53R, ARG53S, ARG64R, ARG64S, ARG79R, ARG79S, ARG91R, ARG91S, ASN16R, ASN16S, ASN49R, ASN49S, ASN52R, ASN52S, ASN81R, ASN81S, ASP40R, ASP40S, ASP61R, ASP61S, ASP63R, ASP63S, ASP83R, ASP83S, CYS39R, CYS39S, CYS41R, CYS41S, GLN18R, GLN18S, GLN56R, GLN56S, GLN7R, GLN7S, GLU34R, GLU34S, GLU42R, GLU42S, GLU71R, GLU71S, GLU74R, GLU74S, GLU77R, GLU77S, GLU86R, GLU86S, GLY27R, GLY27S, HIS76R, HIS76S, ILE11R, ILE11S, ILE43R, ILE43S, ILE46R, ILE46S, ILE47R, ILE47S, ILE6R, ILE6S, ILE84R, ILE84S, ILE8R, ILE8S, LEU12R, LEU12S, LEU28R, LEU28S, LEU35R, LEU35S, LEU38R, LEU38S, LEU45R, LEU45S, LEU54R, LEU54S, LEU66R, LEU66S, LEU67R, LEU67S, LEU85R, LEU85S, LEU88R, LEU88S, LYS23R, LYS23S, LYS25R, LYS25S, LYS30R, LYS30S, LYS31R, LYS31S, LYS68R, LYS68S, LYS89R, LYS89S, MET29R, MET29S, MET62R, MET62S, PHE21R, PHE21S, PHE26R, PHE26S, PHE48R, PHE48S, PHE55R, PHE55S, PRO75R, PRO75S, SER36R, SER36S, SER50R, SER50S, SER59R, SER59S, SER73R, SER73S, SER78R, SER78S, SER9R, SER9S, THR20R, THR20S, THR22R, THR22S, THR60R, THR60S, THR70R, THR70S, THR80R, THR80S, THR82R, THR82S, THR87R, THR87S, TYR33R, TYR33S, TYR57R, TYR57S, TYR69R, TYR69S, TYR72R, TYR72S, VAL19R, VAL19S, VAL37R, VAL37S, VAL65R, VAL65S
• R-Y: ALA109Y, ALA58R, ARG53R, ARG64R, ASP61R, ASP63R, GLN115Y, GLN118Y, GLN56R, GLU112Y, GLU119Y, GLU71R, GLU74R, GLY106Y, GLY108Y, ILE46R, LEU117Y, LEU121Y, LEU54R, LEU66R, LEU67R, LYS105Y, LYS114Y, LYS116Y, LYS124Y, LYS68R, MET29R, MET62R, PHE120Y, PHE26R, PHE55R, PRO104Y, PRO75R, SER110Y, SER73R, SER78R, THR107Y, THR111Y, THR70R, TYR57R, TYR69R, TYR72R, VAL113Y, VAL65R
• S-Y: ALA109Y, ARG64S, ARG79S, ASP61S, ASP63S, ASP83S, GLN115Y, GLN118Y, GLN56S, GLU119Y, GLU71S, GLU74S, GLU77S, GLU86S, GLY106Y, GLY108Y, HIS76S, ILE46S, ILE84S, LEU117Y, LEU121Y, LEU122Y, LEU54S, LEU66S, LEU67S, LYS105Y, LYS114Y, LYS116Y, LYS124Y, LYS68S, MET62S, PHE120Y, PRO104Y, PRO75S, SER103Y, SER110Y, SER123Y, SER125Y, SER73S, SER78S, THR107Y, THR111Y, THR70S, THR80S, THR82S, THR87S, TYR69S, TYR72S, VAL113Y, VAL65S