4A9J

n-terminal bromodomain of human brd2 with n-(4- hydroxyphenyl)acetamide

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 107
  • Norm. En. per Res.: -2.7717
• 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	-36.9078	0.0	-259.668	-296.5758	107	6	8	11292	0	15	11
A-C	0.0	10.426	-54.9616	-44.5356	45	0	1	2919	0	8	23
B-C	0.0	0.0	-11.8692	-11.8692	14	0	0	598	0	3	1

Interface residues

• A-B: ALA137A, ALA137B, ALA138A, ALA138B, ALA166A, ALA166B, ALA178A, ALA178B, ASN146A, ASN146B, ASN151A, ASN151B, ASN156A, ASN156B, ASN77A, ASN77B, ASP112A, ASP144A, ASP144B, ASP160A, ASP160B, CYS141A, CYS141B, CYS152A, CYS152B, GLN119A, GLN119B, GLN143A, GLN143B, GLN167A, GLN167B, GLN175A, GLN175B, GLN182A, GLN182B, GLN78A, GLN78B, GLU140A, GLU140B, GLU170A, GLU170B, GLU183A, GLU183B, GLU184A, GLU184B, ILE116A, ILE116B, ILE117A, ILE117B, ILE154A, ILE154B, ILE172A, ILE172B, LEU164A, LEU164B, LEU169A, LEU169B, LEU174A, LEU174B, LEU82A, LEU82B, LYS115A, LYS115B, LYS118A, LYS118B, LYS157A, LYS157B, LYS171A, LYS171B, LYS176A, LYS176B, MET142A, MET142B, MET180A, MET180B, PHE145A, PHE145B, PHE149A, PHE149B, PHE173A, PHE173B, PRO158A, PRO158B, PRO181A, PRO181B, SER139A, SER139B, SER179A, SER179B, THR147A, THR147B, THR150A, THR150B, THR159A, THR159B, THR168A, THR168B, TYR153A, TYR153B, TYR155A, TYR155B, TYR81A, TYR81B, VAL163A, VAL163B, VAL177A, VAL177B
• A-C: ALA178A, ALA89A, ALA96C, ARG100C, ASN133A, ASN77A, ASP104C, ASP160C, ASP161C, GLN101C, GLN182A, GLN185A, GLN78A, GLN80A, GLN94C, GLU131A, GLU183A, GLY109C, HIS83A, ILE162C, LEU108C, LEU110C, LEU79A, LEU82A, LYS107C, LYS176A, LYS84A, LYS88A, LYS92C, MET165C, MET180A, PHE95C, PHE99C, PRO102C, PRO181A, PRO98C, SER179A, THR76A, TRP97C, TYR81A, VAL103C, VAL106C, VAL75A, VAL85A, VAL86A
• B-C: ASP161C, GLN182B, GLN185B, GLN78B, GLN94C, GLU183B, GLU184B, HIS93C, ILE162C, LEU164C, MET165C, PHE95C, THR168C, TRP97C