3PXE

impact of brca1 brct domain missense substitutions on phospho-peptide recognition: e1836k

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 74
  • Norm. En. per Res.: -3.8198
• Hub Node: B(4)

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	-64.793	-35.1845	-182.685	-282.6625	74	16	1	7592	3	25	31
A-E	-24.2031	0.0	-102.672	-126.8751	38	4	1	3725	0	0	0
A-F	0.0	0.0	-0.0958	-0.0958	2	0	0	27	0	0	0
B-C	-36.821	-21.865	-178.668	-237.354	73	14	1	7132	2	31	33
B-D	0.0	0.0	-0.1368	-0.1368	7	0	0	37	0	3	7
B-F	-18.9146	0.0	-78.7201	-97.6347	29	7	1	3069	0	0	0
B-G	0.0	0.0	-0.132	-0.132	3	0	0	35	0	0	0
C-D	0.0	6.6106	-2.0991	4.5116	20	0	0	299	0	11	5
C-G	-18.2885	0.0	-76.5751	-94.8636	35	6	1	3061	0	0	0
D-H	-19.8073	0.0	-76.3315	-96.1388	34	7	1	3062	0	0	0

Interface residues

• A-B: ALA1669A, ALA1814B, ALA1823B, ALA1830B, ARG1649A, ARG1753A, ASN1647A, ASN1730A, ASN1742B, ASN1819B, ASP1733A, ASP1757A, ASP1813B, ASP1818B, ASP1851B, CYS1828B, GLN1756A, GLN1811B, GLN1826B, GLN1857B, GLU1683A, GLU1725A, GLU1731A, GLU1754A, GLU1817B, GLU1829B, GLY1820B, GLY1825B, HIS1672A, HIS1673A, HIS1686A, HIS1732A, HIS1822B, ILE1674A, ILE1807B, ILE1824B, ILE1855B, ILE1858B, LEU1729A, LEU1850B, LEU1854B, LYS1648A, LYS1671A, LYS1727A, LYS1750A, LYS1836B, MET1650A, MET1652A, MET1728A, PHE1668A, PHE1734A, PHE1821B, PRO1812B, PRO1831B, PRO1856B, PRO1859B, SER1651A, SER1722A, THR1675A, THR1684A, THR1685A, THR1816B, THR1834B, THR1852B, TRP1712A, TRP1718A, TRP1815B, TYR1853B, VAL1714A, VAL1741B, VAL1808B, VAL1810B, VAL1832B, VAL1833B
• A-E: ARG1699A, ARG1835A, ASN1742A, ASN1774A, ASN9E, ASP1739A, ASP1840A, CYS1697A, GLN1811A, GLU1661A, GLU1698A, GLY1656A, LEU1657A, LEU1701A, LEU1839A, LYS1690A, LYS1702A, LYS1836A, MET1689A, MET1775A, MET1783A, PHE1704A, PHE1772A, PHE8E, PRO1659A, PRO1776A, PRO6E, SER1655A, SER3E, THR1658A, THR1700A, THR1773A, THR4E, THR7E, TYR1703A, VAL1654A, VAL1740A, VAL1741A
• A-F: ASN9F, GLU1754A
• B-C: ALA1669B, ALA1814C, ALA1823C, ALA1830C, ARG1649B, ARG1753B, ASN1647B, ASN1730B, ASN1742C, ASN1819C, ASP1733B, ASP1757B, ASP1813C, ASP1818C, ASP1840C, ASP1851C, CYS1828C, GLN1756B, GLN1811C, GLN1826C, GLN1857C, GLU1683B, GLU1725B, GLU1731B, GLU1754B, GLU1817C, GLU1829C, GLY1820C, GLY1825C, HIS1672B, HIS1673B, HIS1686B, HIS1732B, HIS1822C, ILE1674B, ILE1824C, ILE1855C, ILE1858C, LEU1729B, LEU1850C, LEU1854C, LYS1648B, LYS1671B, LYS1727B, LYS1750B, LYS1836C, MET1650B, MET1728B, PHE1668B, PHE1734B, PHE1821C, PRO1812C, PRO1831C, PRO1856C, PRO1859C, SER1651B, SER1722B, THR1675B, THR1684B, THR1685B, THR1816C, THR1834C, THR1852C, TRP1712B, TRP1718B, TRP1815C, TYR1853C, VAL1714B, VAL1740C, VAL1741C, VAL1810C, VAL1832C, VAL1833C
• B-D: ARG1726B, ARG1762D, GLU1849D, GLY1803D, HIS1673B, HIS1805D, LYS1727B
• B-F: ARG1699B, ARG1835B, ASN1742B, ASN1774B, ASN9F, ASP1739B, ASP1840B, GLN1811B, GLU1698B, GLY1656B, LEU1701B, LEU1839B, LYS1702B, LYS1836B, MET1689B, MET1775B, MET1783B, PHE1704B, PHE1772B, PHE8F, PRO1776B, PRO6F, SER1655B, THR1700B, THR1773B, THR7F, TYR1703B, VAL1740B, VAL1741B
• B-G: ASN9G, GLU1754B, LYS1750B
• C-D: ARG1758D, ARG1762D, ASP1757D, ASP1818C, GLN1826C, GLU1794C, GLU1817C, GLY1763D, GLY1770C, GLY1803D, GLY1820C, HIS1805D, LYS1759D, MET1827C, PRO1771C, PRO1859C, SER1755D, TRP1815C, TYR1769C, VAL1804D
• C-G: ARG1699C, ARG1835C, ASN1742C, ASN1774C, ASN9G, ASP1739C, ASP1840C, CYS1697C, GLN1811C, GLU1698C, GLY1656C, LEU1657C, LEU1701C, LEU1780C, LEU1839C, LYS1702C, LYS1836C, MET1689C, MET1775C, MET1783C, PHE1704C, PHE1772C, PHE8G, PRO1659C, PRO1776C, PRO6G, SER1655C, THR1658C, THR1700C, THR1773C, THR4G, THR7G, TYR1703C, VAL1740C, VAL1741C
• D-H: ARG1699D, ARG1835D, ASN1742D, ASN1774D, ASN9H, ASP1739D, ASP1840D, CYS1697D, GLN1811D, GLU1698D, GLY1656D, LEU1657D, LEU1701D, LEU1839D, LYS1702D, LYS1836D, MET1689D, MET1775D, MET1783D, PHE1704D, PHE1772D, PHE8H, PRO1659D, PRO1776D, PRO6H, SER1655D, THR1658D, THR1700D, THR1773D, THR4H, THR7H, TYR1703D, VAL1740D, VAL1741D