3D0A

human p53 core domain with hot spot mutation r249s and second site suppressor mutation h168r in sequence-specific complex with dna

• Total interactions analyzed: 28
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 32
  • Norm. En. per Res.: -2.6544
• 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	0.0	0.0	-72.9803	-72.9803	30	2	0	2492	0	6	20
A-D	0.0	0.0	-13.7844	-13.7844	12	0	0	558	0	1	0
B-C	0.0	0.0	-33.9739	-33.9739	32	1	0	1689	0	5	7
C-D	0.0	0.0	-84.9411	-84.9411	32	6	0	2901	0	6	20

Interface residues

• A-B: ARG181A, ARG181B, ARG248B, ASN239A, ASN239B, ASN247A, ASN247B, CYS176A, CYS176B, CYS182A, CYS182B, CYS238B, CYS242A, CYS242B, GLU180A, GLU180B, GLY244A, GLY244B, GLY245A, GLY245B, HIS178A, HIS178B, HIS179A, HIS179B, LEU137B, MET243A, MET243B, PRO177A, PRO177B, SER241B
• A-D: ARG196A, ASP184A, ASP186A, GLN165D, GLN167D, GLY187A, LEU188A, LEU201A, LYS164D, MET169D, SER166D, SER185A
• B-C: ARG168B, ARG202C, ASN200C, ASN235C, ASP186C, GLN100B, GLN165B, GLN167B, GLU198C, GLY187C, GLY199C, HIS233C, ILE162B, LEU188C, LEU201C, LEU252B, LEU289B, LYS164B, MET169B, PRO98B, SER166B, SER185C, SER95B, SER96B, SER99B, THR140C, THR170B, TYR163B, VAL197C, VAL203C, VAL225C, VAL97B
• C-D: ARG181C, ARG181D, ASN239C, ASN239D, ASN247C, ASN247D, CYS176C, CYS176D, CYS182C, CYS182D, CYS238C, CYS238D, CYS242C, CYS242D, GLU180C, GLU180D, GLY244C, GLY244D, GLY245C, GLY245D, HIS178C, HIS178D, HIS179C, HIS179D, LEU137C, LEU137D, MET243C, MET243D, PRO177C, PRO177D, SER241C, SER241D