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59H

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O3C3doub1.21Å1.28Å
O1C1doub1.21Å1.24Å
C3OXTsing1.34Å1.27Å
C3CA3sing1.51Å1.51Å
OX1CX7doub1.22Å1.23Å
CA3N3sing1.47Å1.44Å
CA3CXCsing1.54Å1.56Å
C1CA1sing1.51Å1.49Å
CX6CX5doub1.38Å1.51ÅAromatic
CX6CX1sing1.38Å1.35ÅAromatic
CX8NX1sing1.47Å1.46Å
CX8CX9sing1.54Å1.51Å
CX5CX4sing1.38Å1.39ÅAromatic
N3CXDsing1.49Å1.43Å
CX7NX1sing1.35Å1.45Å
CX7Nsing1.35Å1.45Å
N1CA1sing1.46Å1.44Å
N1Csing1.35Å1.44Å
CXBCXCsing1.53Å1.51Å
CACX1sing1.51Å1.53Å
CANsing1.46Å1.45Å
CACsing1.51Å1.53Å
CX1CX2doub1.38Å1.53ÅAromatic
CXCCXEsing1.53Å1.50Å
CXCS4sing1.84Å1.79Å
CA1CXDsing1.53Å1.54Å
NX1CXAsing1.34Å1.42Å
CX4CX3doub1.38Å1.48ÅAromatic
COdoub1.21Å1.23Å
CX9NX2sing1.47Å1.42Å
CXDS4sing1.84Å1.75Å
CX2CX3sing1.38Å1.37ÅAromatic
CXANX2sing1.34Å1.43Å
CXAOX2doub1.22Å1.22Å
N1H1sing0.97Å1.00Å
NH2sing0.97Å1.00Å
CAH3sing1.09Å1.10Å
CX2H4sing1.08Å1.08Å
CX3H5sing1.08Å1.08Å
CX4H6sing1.08Å1.08Å
CX5H7sing1.08Å1.08Å
CX6H8sing1.08Å1.08Å
CX8H9sing1.09Å1.10Å
CX8H10sing1.09Å1.10Å
CX9H11sing1.09Å1.10Å
CX9H12sing1.09Å1.10Å
NX2H13sing0.97Å1.00Å
CA1H14sing1.09Å1.10Å
C1H15sing1.08Å1.08Å
N3H16sing1.01Å1.00Å
CA3H18sing1.09Å1.10Å
OXTH19sing0.97Å0.95Å
CXBH20sing1.09Å1.10Å
CXBH21sing1.09Å1.10Å
CXBH22sing1.09Å1.10Å
CXDH23sing1.09Å1.10Å
CXEH24sing1.09Å1.10Å
CXEH25sing1.09Å1.10Å
CXEH26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O3C3OXT120.5°120.0°
O3C3CA3121.6°120.0°
O1C1CA1121.9°120.1°
O1C1H15119.1°120.0°
OXTC3CA3118.0°120.0°
C3OXTH19109.5°116.9°
C3CA3N3107.2°108.8°
C3CA3CXC116.9°108.8°
C3CA3H18108.4°108.8°
OX1CX7NX1120.0°120.0°
OX1CX7N121.1°120.0°
N3CA3CXC107.1°112.8°
CA3N3CXD111.4°110.9°
CA3N3H16109.0°111.0°
N3CA3H18109.3°108.8°
CA3CXCCXB111.1°110.6°
CA3CXCCXE113.2°110.6°
CA3CXCS498.1°103.5°
CXCCA3H18107.8°108.7°
C1CA1N1103.8°109.4°
C1CA1CXD106.7°109.5°
C1CA1H14108.7°109.5°
CA1C1H15119.1°120.0°
CX5CX6CX1120.0°120.0°
CX6CX5CX4119.9°120.0°
CX6CX5H7120.0°120.0°
CX5CX6H8120.0°120.0°
CX6CX1CA118.0°120.0°
CX6CX1CX2120.3°120.0°
CX1CX6H8120.0°120.0°
NX1CX8CX9105.5°103.8°
CX8NX1CX7126.2°125.4°
CX8NX1CXA108.5°109.1°
NX1CX8H9110.5°110.5°
NX1CX8H10110.5°110.6°
CX8CX9NX2105.3°103.9°
CX9CX8H9110.5°110.5°
CX9CX8H10110.5°110.6°
CX8CX9H11110.5°110.5°
CX8CX9H12110.5°110.5°
CX5CX4CX3119.8°120.0°
CX5CX4H6120.1°120.0°
CX4CX5H7120.1°120.1°
N3CXDCA1111.3°111.1°
N3CXDS4104.9°100.9°
CXDN3H16109.0°111.0°
N3CXDH23109.7°111.2°
NX1CX7N118.9°120.0°
CX7NX1CXA125.4°125.5°
CX7NCA123.8°120.0°
CX7NH2118.1°120.0°
CA1N1C121.0°120.1°
N1CA1CXD119.7°109.5°
CA1N1H1119.5°120.0°
N1CA1H14109.4°109.4°
N1CCA120.2°120.1°
N1CO119.8°120.0°
CN1H1119.5°119.9°
CXBCXCCXE111.1°110.6°
CXBCXCS4111.4°110.6°
CXCCXBH20109.5°109.5°
CXCCXBH21109.5°109.4°
CXCCXBH22109.5°109.5°
CX1CAN116.4°109.5°
CX1CAC116.8°109.5°
CACX1CX2121.7°120.0°
CX1CAH3105.9°109.5°
NCAC104.3°109.5°
CANH2118.1°120.0°
NCAH3106.8°109.5°
CACO120.0°120.0°
CCAH3105.9°109.4°
CX1CX2CX3119.3°120.0°
CX1CX2H4120.4°120.0°
CXECXCS4111.3°110.8°
CXCCXEH24109.5°109.5°
CXCCXEH25109.5°109.4°
CXCCXEH26109.5°109.5°
CXCS4CXD98.8°94.9°
CA1CXDS4116.3°111.1°
CXDCA1H14108.1°109.5°
CA1CXDH23108.3°111.0°
NX1CXANX2107.5°114.0°
NX1CXAOX2126.7°123.0°
CX4CX3CX2120.7°120.0°
CX4CX3H5119.7°120.0°
CX3CX4H6120.1°120.0°
CX9NX2CXA108.5°109.2°
NX2CX9H11110.5°110.6°
NX2CX9H12110.5°110.5°
CX9NX2H13125.8°125.4°
S4CXDH23106.1°111.2°
CX3CX2H4120.3°120.0°
CX2CX3H5119.6°120.0°
NX2CXAOX2125.8°123.0°
CXANX2H13125.7°125.4°
H9CX8H10109.4°110.6°
H11CX9H12109.5°110.6°
H20CXBH21109.4°109.4°
H20CXBH22109.5°109.5°
H21CXBH22109.5°109.5°
H24CXEH25109.5°109.5°
H24CXEH26109.5°109.5°
H25CXEH26109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O3C3OXTCA3179.7°180.0°
O3C3CA3N3155.0°18.6°
O3C3CA3CXC85.0°104.8°
O3C3CA3H1837.1°137.0°
O3C3OXTH190.0°0.0°
O1C1CA1H15180.0°180.0°
O1C1CA1N118.6°0.0°
O1C1CA1CXD108.7°120.0°
O1C1CA1H14135.0°120.0°
OXTC3CA3N324.7°161.5°
OXTC3CA3CXC95.4°75.2°
OXTC3CA3H18142.6°43.1°
C3CA3N3CXC126.2°120.9°
C3CA3N3H18117.3°118.4°
C3CA3CXCH18122.4°118.3°
C3CA3N3CXD174.0°89.0°
C3CA3CXCCXB81.8°124.5°
C3CA3CXCCXE44.1°1.6°
C3CA3CXCS4161.5°117.0°
C3CA3N3H1653.8°34.9°
CA3C3OXTH19179.7°180.0°
OX1CX7NX1CX80.8°174.6°
OX1CX7NX1N179.9°180.0°
OX1CX7NCA2.7°5.0°
OX1CX7NX1CXA178.8°5.0°
OX1CX7NH2177.3°175.0°
N3CA3CXCH18117.5°120.8°
CA3N3CXDH16120.3°123.9°
N3CA3CXCCXB158.1°114.6°
N3CA3CXCCXE76.0°122.5°
N3CA3CXCS441.4°3.9°
CA3N3CXDCA198.7°160.4°
CA3N3CXDS427.9°42.5°
CA3N3CXDH23141.4°75.5°
CXCCA3N3CXD47.8°31.9°
CA3CXCCXBCXE127.1°122.9°
CA3CXCCXBS4108.2°114.1°
CA3CXCCXES4109.4°114.2°
CA3CXCS4CXD23.0°18.4°
CXCCA3N3H1672.4°155.8°
CA3CXCCXBH20180.0°60.0°
CA3CXCCXBH2160.0°180.0°
CA3CXCCXBH2260.0°60.0°
CA3CXCCXEH24180.0°60.0°
CA3CXCCXEH2560.0°179.9°
CA3CXCCXEH2660.0°60.0°
C1CA1CXDN327.3°60.0°
C1CA1N1CXD118.7°120.0°
C1CA1N1H14115.9°119.9°
C1CA1N1C149.9°85.0°
C1CA1CXDH14116.7°120.0°
C1CA1CXDS4147.3°51.5°
C1CA1N1H130.1°95.3°
C1CA1CXDH2393.4°175.7°
CX5CX6CX1H8180.0°179.5°
CX6CX5CX4H7180.0°179.7°
CX5CX6CX1CA179.6°179.7°
CX5CX6CX1CX20.5°0.5°
CX6CX5CX4CX30.0°0.2°
CX6CX5CX4H6180.0°179.7°
CX1CX6CX5CX40.3°0.5°
CX6CX1CACX2179.1°179.8°
CX6CX1CAN166.4°40.2°
CX6CX1CAC69.6°79.8°
CX6CX1CX2CX30.4°0.2°
CX6CX1CAH348.0°160.3°
CX6CX1CX2H4179.6°179.8°
CX1CX6CX5H7179.7°179.8°
NX1CX8CX9H9119.4°118.5°
NX1CX8CX9H10119.4°118.6°
CX8NX1CX7CXA179.6°179.6°
CX8NX1CX7N179.1°5.4°
NX1CX8CX9NX214.4°0.0°
CX8NX1CXANX211.6°0.5°
CX8NX1CXAOX2170.2°179.8°
NX1CX8H9H10121.8°122.8°
NX1CX8CX9H11133.7°118.6°
NX1CX8CX9H12105.0°118.6°
CX9CX8NX1CX7178.6°180.0°
CX9CX8NX1CXA1.8°0.3°
CX8CX9NX2H11119.3°118.6°
CX8CX9NX2H12119.4°118.6°
CX8CX9NX2CXA21.9°0.3°
CX9CX8H9H10121.8°122.8°
CX8CX9H11H12122.0°122.7°
CX8CX9NX2H13158.1°180.0°
CX5CX4CX3H6180.0°179.9°
CX5CX4CX3CX20.1°0.0°
CX5CX4CX3H5179.9°180.0°
CX4CX5CX6H8179.7°180.0°
N3CXDCA1N190.0°180.0°
N3CXDS4CXC0.6°34.7°
N3CXDCA1S4120.0°111.5°
N3CXDCA1H23120.7°124.3°
N3CXDS4H23116.1°118.0°
N3CXDCA1H14144.0°60.0°
CXDN3CA3H1868.7°152.6°
NX1CX7NCA177.4°175.0°
CX7NX1CXANX2168.1°179.8°
CX7NX1CXAOX210.1°0.1°
NX1CX7NH22.6°5.0°
CX7NX1CX8H962.0°61.5°
CX7NX1CX8H1059.2°61.4°
CX7NCACX186.9°85.0°
CX7NCAH2180.0°180.0°
CX7NCAC142.9°155.0°
NCX7NX1CXA1.3°175.0°
CX7NCAH331.0°35.0°
CA1N1CH1180.0°179.8°
CA1N1CCA177.7°180.0°
N1CA1CXDH14126.0°120.0°
CA1N1CO1.1°0.0°
N1CA1CXDS430.1°68.5°
N1CA1C1H15161.4°180.0°
N1CA1CXDH23149.3°55.7°
N1CCACX1102.5°59.9°
N1CCAN127.5°180.0°
N1CCAO178.8°179.9°
CN1CA1CXD91.4°155.0°
N1CCAH315.0°60.0°
CN1CA1H1434.0°35.0°
CXBCXCCXES4124.7°123.0°
CXBCXCS4CXD139.5°136.8°
CXBCXCCA3H1840.6°6.2°
CXCCXBH20H21120.0°119.9°
CXCCXBH20H22120.0°120.0°
CXCCXBH21H22120.0°120.0°
CXBCXCCXEH2454.1°177.1°
CXBCXCCXEH2565.9°57.1°
CXBCXCCXEH26174.2°62.8°
CX1CANC130.2°120.0°
CX1CANH3118.0°120.0°
CX1CACH3117.5°120.0°
CX1CACO78.7°120.0°
CACX1CX2CX3179.5°180.0°
CX1CANH293.1°95.0°
CACX1CX2H40.5°0.0°
CACX1CX6H80.4°0.2°
NCACH3112.5°120.0°
NCACX1CX212.7°140.0°
NCACO51.3°0.0°
CCACX1CX2111.3°100.0°
CACN1H12.3°0.2°
CCANH237.1°25.0°
CX1CX2CX3CX40.1°0.0°
CX1CX2CX3H4180.0°180.0°
CX2CX1CAH3131.1°19.9°
CX1CX2CX3H5179.9°180.0°
CX2CX1CX6H8179.5°180.0°
CXECXCS4CXD95.9°100.2°
CXECXCCA3H18166.5°116.7°
CXECXCCXBH2053.0°62.8°
CXECXCCXBH21172.9°57.1°
CXECXCCXBH2267.1°177.2°
CXCCXEH24H25120.0°120.0°
CXCCXEH24H26120.0°120.0°
CXCCXEH25H26120.0°119.9°
CXCS4CXDCA1122.8°152.5°
S4CXCCA3H1876.1°124.7°
S4CXCCXBH2071.7°174.1°
S4CXCCXBH2148.2°66.0°
S4CXCCXBH22168.2°54.1°
CXCS4CXDH23116.7°83.3°
S4CXCCXEH2470.6°54.1°
S4CXCCXEH25169.3°65.9°
S4CXCCXEH2649.4°174.2°
CA1CXDS4H23120.5°124.2°
CXDCA1N1H188.6°24.8°
CXDCA1C1H1571.2°60.0°
CA1CXDN3H16141.0°75.7°
NX1CXANX2CX921.3°0.5°
NX1CXANX2OX2178.2°179.7°
CXANX1CX8H9117.6°118.8°
CXANX1CX8H10121.2°118.3°
NX1CXANX2H13158.7°179.8°
CX4CX3CX2H5180.0°180.0°
CX4CX3CX2H4179.9°179.9°
CX3CX4CX5H7180.0°180.0°
OCN1H1178.9°179.7°
OCCAH3163.8°120.0°
CX9NX2CXAH13180.0°179.7°
CX9NX2CXAOX2160.5°179.8°
NX2CX9CX8H9105.0°118.5°
NX2CX9CX8H10133.7°118.6°
NX2CX9H11H12121.9°122.8°
S4CXDCA1H1496.0°171.5°
S4CXDN3H1692.4°166.4°
CX2CX3CX4H6179.9°180.0°
CXANX2CX9H11141.2°118.9°
CXANX2CX9H1297.5°118.3°
OX2CXANX2H1319.5°0.1°
H1N1CA1H14146.0°144.8°
H2NCAH3149.0°145.0°
H4CX2CX3H50.1°0.0°
H5CX3CX4H60.1°0.1°
H6CX4CX5H70.0°0.0°
H7CX5CX6H80.3°0.2°
H9CX8CX9H1114.3°0.1°
H9CX8CX9H12135.7°122.9°
H10CX8CX9H11106.9°122.7°
H10CX8CX9H1214.4°0.0°
H11CX9NX2H1338.8°61.4°
H12CX9NX2H1382.5°61.4°
H14CA1C1H1545.1°60.0°
H14CA1CXDH2323.3°64.2°
H16N3CA3H18171.1°83.5°
H16N3CXDH2321.1°48.4°
H20CXBH21H22120.0°120.0°
H24CXEH25H26120.0°120.0°

248636

PDB entries from 2026-02-04

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