3I08

crystal structure of the s1-cleaved notch1 negative regulatory region (nrr)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 172
  • Norm. En. per Res.: -7.8099
• Hub Node: A(3)

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	-344.2546	-14.5951	-1000.74	-1359.5897	175	65	54	38666	1	26	21
A-C	0.0	0.0	-70.6725	-70.6725	54	4	0	3461	0	6	4
A-D	0.0	0.0	-13.0355	-13.0355	30	0	0	710	0	5	1
B-C	0.0	0.0	-12.8402	-12.8402	29	1	0	692	0	5	1
B-D	0.0	0.0	-34.4319	-34.4319	29	11	0	1419	0	0	1
C-D	-317.4425	-17.4995	-1008.36	-1343.3021	172	52	52	38064	1	25	20

Interface residues

• A-B: ALA1513A, ALA1553A, ALA1563A, ALA1571A, ALA1572A, ALA1689B, ALA1697B, ALA1701B, ALA1702B, ALA1706B, ALA1708B, ALA1721B, ARG1524A, ARG1569A, ARG1587A, ARG1595A, ARG1599A, ARG1609A, ARG1673B, ARG1684B, ASN1469A, ASN1470A, ASN1483A, ASN1485A, ASN1490A, ASN1511A, ASN1551A, ASN1588A, ASN1604A, ASN1683B, ASN1714B, ASP1476A, ASP1479A, ASP1486A, ASP1503A, ASP1518A, ASP1521A, ASP1558A, ASP1561A, ASP1671B, ASP1682B, ASP1699B, CYS1464A, CYS1480A, CYS1497A, CYS1506A, CYS1510A, CYS1515A, CYS1522A, CYS1562A, CYS1686B, CYS1693B, GLN1523A, GLN1548A, GLN1585A, GLN1615A, GLN1685B, GLN1688B, GLN1692B, GLN1695B, GLN1723B, GLU1526A, GLU1554A, GLU1556A, GLU1564A, GLU1568A, GLU1584A, GLU1596A, GLU1680B, GLU1720B, GLU1725B, GLU1728B, GLY1474A, GLY1478A, GLY1514A, GLY1519A, GLY1559A, GLY1573A, GLY1622A, GLY1674B, GLY1705B, GLY1711B, HIS1471A, HIS1565A, HIS1592A, HIS1602A, ILE1617A, ILE1676B, ILE1681B, ILE1715B, ILE1719B, LEU1466A, LEU1482A, LEU1516A, LEU1560A, LEU1570A, LEU1575A, LEU1580A, LEU1586A, LEU1594A, LEU1597A, LEU1601A, LEU1679B, LEU1704B, LEU1707B, LEU1710B, LEU1713B, LYS1462A, LYS1489A, LYS1499A, LYS1538A, LYS1608A, LYS1718B, MET1581A, MET1616A, MET1670B, PHE1484A, PHE1501A, PHE1517A, PHE1520A, PHE1591A, PHE1593A, PHE1607A, PHE1618A, PHE1694B, PHE1703B, PRO1487A, PRO1567A, PRO1582A, PRO1583A, PRO1619A, PRO1716B, SER1481A, SER1502A, SER1508A, SER1512A, SER1552A, SER1589A, SER1590A, SER1598A, SER1675B, SER1690B, SER1691B, SER1696B, SER1709B, SER1712B, SER1724B, THR1574A, THR1603A, THR1698B, THR1726B, TRP1475A, TRP1488A, TRP1498A, TRP1557A, TYR1500A, TYR1620A, TYR1621A, TYR1678B, TYR1717B, VAL1463A, VAL1566A, VAL1576A, VAL1577A, VAL1578A, VAL1579A, VAL1600A, VAL1605A, VAL1606A, VAL1672B, VAL1677B, VAL1687B, VAL1700B, VAL1722B, VAL1727B
• A-C: ALA1513A, ALA1513C, ALA1571A, ALA1571C, ALA1572A, ALA1572C, ARG1524A, ARG1524C, ARG1569A, ARG1569C, ASN1490A, ASN1490C, ASN1511A, ASN1511C, ASP1507A, ASP1507C, CYS1491A, CYS1491C, CYS1506C, CYS1510A, CYS1510C, CYS1515A, CYS1515C, CYS1522A, CYS1522C, GLN1509A, GLN1509C, GLU1568A, GLU1568C, GLY1514A, GLY1514C, GLY1573A, GLY1573C, HIS1565A, HIS1565C, LEU1495A, LEU1495C, LEU1570A, LEU1570C, LYS1489A, LYS1489C, LYS1608A, PHE1517A, PHE1517C, PRO1567A, PRO1567C, SER1508A, SER1508C, SER1512A, SER1512C, THR1492A, THR1492C, VAL1566A, VAL1566C
• A-D: ALA1513A, ALA1571A, ALA1572A, ALA1697D, ARG1524A, ARG1569A, ARG1684D, ASN1490A, ASN1511A, ASN1683D, ASP1699D, CYS1693D, GLN1688D, GLN1692D, GLN1695D, GLU1680D, GLU1725D, GLU1728D, GLY1514A, LYS1489A, PHE1517A, PHE1694D, SER1512A, SER1690D, SER1691D, SER1696D, THR1492A, THR1726D, VAL1687D, VAL1727D
• B-C: ALA1513C, ALA1571C, ALA1572C, ALA1697B, ARG1524C, ARG1569C, ARG1684B, ASN1490C, ASN1511C, ASN1683B, ASP1699B, CYS1515C, CYS1693B, GLN1688B, GLN1692B, GLN1695B, GLU1680B, GLU1725B, GLY1514C, LYS1489C, PHE1517C, PHE1694B, SER1512C, SER1690B, SER1691B, SER1696B, THR1492C, THR1726B, VAL1687B
• B-D: ALA1689B, ALA1697B, ALA1697D, ASN1683B, ASN1683D, ASP1699B, ASP1699D, CYS1686B, CYS1686D, CYS1693B, CYS1693D, GLN1688B, GLN1688D, GLN1692B, GLN1692D, GLN1695B, GLN1695D, PHE1694B, PHE1694D, SER1690B, SER1690D, SER1691B, SER1691D, SER1696B, SER1696D, VAL1687B, VAL1687D, VAL1700B, VAL1700D
• C-D: ALA1513C, ALA1553C, ALA1563C, ALA1571C, ALA1572C, ALA1689D, ALA1697D, ALA1701D, ALA1702D, ALA1706D, ALA1708D, ALA1721D, ARG1524C, ARG1569C, ARG1587C, ARG1595C, ARG1599C, ARG1609C, ARG1673D, ARG1684D, ASN1469C, ASN1470C, ASN1483C, ASN1485C, ASN1490C, ASN1511C, ASN1551C, ASN1604C, ASN1683D, ASN1714D, ASP1476C, ASP1479C, ASP1486C, ASP1503C, ASP1518C, ASP1521C, ASP1558C, ASP1561C, ASP1610C, ASP1682D, ASP1699D, CYS1464C, CYS1480C, CYS1491C, CYS1497C, CYS1506C, CYS1510C, CYS1515C, CYS1522C, CYS1562C, CYS1686D, CYS1693D, GLN1523C, GLN1548C, GLN1585C, GLN1615C, GLN1685D, GLN1688D, GLN1692D, GLN1695D, GLN1723D, GLU1526C, GLU1554C, GLU1556C, GLU1564C, GLU1568C, GLU1584C, GLU1596C, GLU1680D, GLU1720D, GLU1725D, GLU1728D, GLY1478C, GLY1514C, GLY1519C, GLY1559C, GLY1573C, GLY1622C, GLY1674D, GLY1705D, GLY1711D, HIS1565C, HIS1592C, HIS1602C, ILE1617C, ILE1676D, ILE1681D, ILE1715D, ILE1719D, LEU1466C, LEU1482C, LEU1516C, LEU1560C, LEU1570C, LEU1575C, LEU1580C, LEU1586C, LEU1594C, LEU1597C, LEU1601C, LEU1679D, LEU1704D, LEU1707D, LEU1710D, LEU1713D, LYS1462C, LYS1489C, LYS1499C, LYS1538C, LYS1608C, LYS1718D, MET1581C, MET1616C, PHE1484C, PHE1501C, PHE1517C, PHE1520C, PHE1591C, PHE1593C, PHE1607C, PHE1618C, PHE1694D, PHE1703D, PRO1487C, PRO1567C, PRO1582C, PRO1583C, PRO1619C, PRO1716D, PRO1729D, SER1481C, SER1502C, SER1508C, SER1512C, SER1552C, SER1589C, SER1590C, SER1598C, SER1675D, SER1690D, SER1691D, SER1696D, SER1709D, SER1712D, SER1724D, THR1574C, THR1603C, THR1698D, THR1726D, TRP1475C, TRP1488C, TRP1498C, TRP1557C, TYR1500C, TYR1620C, TYR1621C, TYR1678D, TYR1717D, VAL1566C, VAL1576C, VAL1577C, VAL1578C, VAL1579C, VAL1600C, VAL1605C, VAL1606C, VAL1672D, VAL1677D, VAL1687D, VAL1700D, VAL1722D, VAL1727D