3NBN

crystal structure of a dimer of notch transcription complex trimers on hes1 dna

• Total interactions analyzed: 28
• Total true interactions: 7
• Strongest Interaction:
  • Chains: B-E
  • Int. Res.: 55
  • Norm. En. per Res.: -3.3562
• 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	-38.182	-5.9553	-199.714	-243.8512	127	20	0	9923	5	56	43
A-C	-43.7323	-102.8566	484.59	338.0011	112	35	2	11498	8	41	20
B-C	0.0	-117.1476	-104.547	-221.6946	67	6	1	4799	7	41	22
B-E	-57.9734	-8.3467	-118.271	-184.5912	55	7	0	4670	2	23	18
D-E	-22.139	-5.0738	-217.544	-244.7568	125	19	0	10128	6	57	44
D-F	-38.8697	-98.2155	441.347	304.2618	112	46	2	11700	8	42	20
E-F	0.0	-115.7752	-110.539	-226.3142	68	7	1	4698	7	41	22

Interface residues

• A-B: ALA1932B, ALA1937B, ALA1968B, ALA1969B, ALA1972B, ALA1974B, ALA2003B, ALA2004B, ALA2007B, ALA2036B, ALA2037B, ALA2038B, ALA2044B, ALA355A, ARG122A, ARG146A, ARG1927B, ARG1938B, ARG1941B, ARG1963B, ARG2005B, ARG2061B, ARG2071B, ARG2096B, ARG2105B, ARG382A, ASN2040B, ASN2041B, ASN2059B, ASN2060B, ASN349A, ASN363A, ASN93A, ASP120A, ASP164A, ASP1959B, ASP1973B, ASP1995B, ASP2092B, ASP2095B, ASP353A, CYS383A, GLN347A, GLN362A, GLN409A, GLU1930B, GLU2062B, GLU2063B, GLU2072B, GLU2104B, GLU344A, GLU358A, GLU385A, GLU433A, GLY1962B, GLY2073B, GLY350A, GLY351A, GLY352A, GLY361A, GLY384A, GLY92A, HIS124A, HIS1967B, HIS1994B, HIS2093B, HIS2107B, ILE147A, ILE2001B, ILE91A, LEU127A, LEU143A, LEU1935B, LEU2002B, LEU2006B, LEU2028B, LEU2068B, LEU346A, LEU348A, LEU357A, LEU359A, LEU388A, LYS121A, LYS123A, LYS145A, LYS148A, LYS2030B, MET126A, MET1961B, MET1993B, MET2094B, MET356A, MET387A, PHE125A, PHE364A, PHE428A, PRO339A, PRO366A, PRO407A, PRO432A, PRO434A, SER128A, SER144A, SER1940B, SER1971B, SER2074B, SER345A, SER386A, THR1925B, THR1928B, THR1997B, THR2091B, THR360A, THR365A, THR427A, THR429A, THR431A, TRP2035B, TYR1939B, TYR381A, TYR430A, VAL1970B, VAL2008B, VAL2039B, VAL2042B, VAL354A, VAL404A
• A-C: ALA335A, ALA355A, ALA39C, ALA43C, ALA58C, ALA66C, ALA68C, ALA87A, ARG16A, ARG26C, ARG31C, ARG32C, ARG369A, ARG382A, ARG40C, ARG416A, ARG48C, ARG53C, ARG62C, ARG70C, ASN102A, ASN135A, ASN349A, ASN367A, ASN417A, ASP137A, ASP138A, ASP353A, ASP418A, CYS30C, CYS37C, CYS383A, CYS389A, CYS63C, CYS86A, GLN100A, GLN61C, GLN65C, GLN81A, GLN84A, GLN96A, GLN99A, GLU104A, GLU28C, GLU378A, GLU38C, GLU42C, GLU52C, GLU80A, GLU82A, GLU97A, GLY134A, GLY140A, GLY350A, GLY351A, GLY384A, HIS16C, HIS33C, HIS34C, HIS55C, HIS60C, ILE139A, ILE27C, ILE64C, ILE89A, LEU101A, LEU23C, LEU29C, LEU334A, LEU368A, LEU388A, LEU49C, LEU51C, LEU59C, LYS130A, LYS67C, MET131A, MET20C, MET356A, MET380A, MET387A, MET98A, PHE132A, PHE364A, PHE57C, PHE88A, PRO14A, PRO336A, PRO339A, PRO366A, PRO46C, PRO85A, SER136A, SER35C, SER386A, SER45C, SER79A, THR338A, THR365A, THR36C, THR379A, THR56C, TYR133A, TYR381A, TYR41C, TYR422A, VAL141A, VAL19C, VAL333A, VAL354A, VAL370A, VAL390A
• B-C: ALA1972B, ALA1974B, ALA2007B, ALA2037B, ALA2038B, ALA2044B, ALA2069B, ALA2102B, ALA43C, ARG2005B, ARG2071B, ARG2105B, ARG22C, ARG25C, ARG26C, ARG40C, ARG48C, ASN2040B, ASN2041B, ASP1973B, ASP2014B, ASP2043B, ASP2109B, CYS30C, CYS37C, GLN1975B, GLN1979B, GLN2103B, GLU2009B, GLU2072B, GLU2076B, GLU2104B, GLU21C, GLU47C, GLU50C, GLU52C, GLY1976B, GLY2010B, GLY2073B, HIS2107B, HIS2108B, HIS33C, ILE2110B, ILE27C, LEU2006B, LEU2012B, LEU23C, LEU29C, LEU49C, LEU51C, MET2011B, MET2106B, PHE1978B, PRO46C, SER1940B, SER1971B, SER2074B, SER45C, THR36C, TYR2075B, TYR41C, VAL1970B, VAL19C, VAL2008B, VAL2039B, VAL2042B, VAL44C
• B-E: ALA1951B, ALA1951E, ALA1953E, ALA1986B, ALA1986E, ALA2020B, ALA2020E, ARG1947B, ARG1947E, ARG1983B, ARG1983E, ARG1985B, ARG1985E, ASN1956B, ASN1956E, ASN1984B, ASN1984E, ASN2017B, ASN2017E, ASP1943B, ASP1943E, ASP1988B, ASP1988E, ASP1990B, ASP1990E, ASP2014B, ASP2014E, GLN1979B, GLN1979E, GLU1950B, GLU1950E, HIS2019B, HIS2019E, ILE1980B, ILE1980E, ILE1982B, ILE1982E, LEU1949B, LEU1949E, LEU1966B, LEU1966E, LEU1981B, LEU1981E, LEU1989B, LEU1989E, LEU2015B, LEU2015E, LYS1946B, LYS1946E, SER1952B, SER1952E, SER2018B, SER2018E, THR1987B, THR1987E
• D-E: ALA1932E, ALA1937E, ALA1968E, ALA1969E, ALA1972E, ALA1974E, ALA2003E, ALA2004E, ALA2007E, ALA2036E, ALA2037E, ALA2038E, ALA2044E, ALA355D, ARG122D, ARG146D, ARG1927E, ARG1938E, ARG1941E, ARG1963E, ARG2005E, ARG2061E, ARG2071E, ARG2096E, ARG2105E, ARG382D, ASN2040E, ASN2041E, ASN2059E, ASN2060E, ASN349D, ASN363D, ASN93D, ASP120D, ASP164D, ASP1959E, ASP1973E, ASP1995E, ASP2092E, ASP2095E, ASP353D, CYS383D, GLN347D, GLN362D, GLN409D, GLU1930E, GLU2062E, GLU2063E, GLU2072E, GLU2104E, GLU344D, GLU358D, GLU385D, GLU433D, GLY1962E, GLY350D, GLY351D, GLY352D, GLY361D, GLY384D, GLY92D, HIS124D, HIS1967E, HIS1994E, HIS2093E, ILE147D, ILE2001E, ILE91D, LEU127D, LEU143D, LEU1935E, LEU2002E, LEU2006E, LEU2028E, LEU2068E, LEU346D, LEU348D, LEU357D, LEU359D, LEU388D, LYS121D, LYS123D, LYS145D, LYS148D, LYS2030E, MET126D, MET1961E, MET1993E, MET2094E, MET356D, MET387D, PHE125D, PHE364D, PHE428D, PRO339D, PRO366D, PRO407D, PRO432D, PRO434D, SER128D, SER144D, SER1940E, SER1971E, SER2074E, SER345D, SER386D, THR1925E, THR1928E, THR1997E, THR2091E, THR360D, THR365D, THR427D, THR429D, THR431D, TRP2035E, TYR1939E, TYR381D, TYR430D, VAL1970E, VAL2008E, VAL2039E, VAL2042E, VAL354D, VAL404D
• D-F: ALA335D, ALA39F, ALA43F, ALA58F, ALA66F, ALA68F, ALA87D, ARG16D, ARG26F, ARG31F, ARG32F, ARG369D, ARG382D, ARG40F, ARG416D, ARG48F, ARG53F, ARG62F, ARG70F, ASN102D, ASN135D, ASN349D, ASN367D, ASN417D, ASP137D, ASP138D, ASP353D, ASP418D, CYS30F, CYS37F, CYS383D, CYS389D, CYS63F, CYS86D, GLN100D, GLN61F, GLN65F, GLN81D, GLN84D, GLN96D, GLN99D, GLU104D, GLU28F, GLU378D, GLU38F, GLU42F, GLU52F, GLU80D, GLU82D, GLU97D, GLY134D, GLY140D, GLY350D, GLY351D, GLY384D, HIS16F, HIS33F, HIS34F, HIS55F, HIS60F, ILE139D, ILE27F, ILE64F, ILE89D, LEU101D, LEU23F, LEU29F, LEU334D, LEU368D, LEU388D, LEU49F, LEU51F, LEU59F, LYS130D, LYS67F, LYS69F, MET131D, MET20F, MET356D, MET380D, MET387D, MET98D, PHE132D, PHE364D, PHE57F, PHE88D, PRO14D, PRO336D, PRO339D, PRO366D, PRO46F, PRO85D, SER136D, SER35F, SER386D, SER45F, SER79D, THR338D, THR365D, THR36F, THR379D, THR56F, TYR133D, TYR381D, TYR41F, TYR422D, VAL141D, VAL333D, VAL337D, VAL354D, VAL370D, VAL390D
• E-F: ALA1972E, ALA1974E, ALA2007E, ALA2037E, ALA2038E, ALA2044E, ALA2069E, ALA2102E, ALA43F, ARG2005E, ARG2071E, ARG2105E, ARG22F, ARG25F, ARG26F, ARG40F, ARG48F, ASN2040E, ASN2041E, ASP1973E, ASP2014E, ASP2043E, ASP2109E, CYS30F, CYS37F, GLN1975E, GLN1979E, GLN2103E, GLU2009E, GLU2072E, GLU2076E, GLU2104E, GLU21F, GLU47F, GLU50F, GLU52F, GLY1976E, GLY2010E, GLY2073E, HIS2107E, HIS2108E, HIS33F, ILE2110E, ILE27F, LEU2006E, LEU2012E, LEU23F, LEU29F, LEU49F, LEU51F, MET2011E, MET2106E, PHE1978E, PRO46F, SER1940E, SER1971E, SER2074E, SER45F, THR2077E, THR36F, TYR2075E, TYR41F, VAL1970E, VAL19F, VAL2008E, VAL2039E, VAL2042E, VAL44F