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SummaryGeometryRelated PDB entries

AQE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
CAMNANsing1.32Å1.36ÅAromatic
CAMCALdoub1.34Å1.36ÅAromatic
NANCAJdoub1.30Å1.34ÅAromatic
CALSAKsing1.76Å1.75ÅAromatic
CABCAAdoub1.36Å1.34ÅAromatic
CABNACsing1.37Å1.34ÅAromatic
CAJCAAsing1.48Å1.39Å
CAJSAKsing1.76Å1.74ÅAromatic
CAACAEsing1.47Å1.42ÅAromatic
NACCADsing1.38Å1.32ÅAromatic
CAECADdoub1.40Å1.39ÅAromatic
CAECAFsing1.40Å1.39ÅAromatic
CAQCAPsing1.53Å1.55Å
CAQCARsing1.53Å1.56Å
CADNAIsing1.33Å1.34ÅAromatic
CAPNAOsing1.47Å1.50Å
NAICAHdoub1.32Å1.32ÅAromatic
CAFNAOsing1.39Å1.39Å
CAFCAGdoub1.39Å1.41ÅAromatic
NAOCAYsing1.47Å1.50Å
CARCASsing1.53Å1.53Å
CAXCASsing1.53Å1.55Å
CAXCAWsing1.53Å1.56Å
CAHCAGsing1.38Å1.39ÅAromatic
CASCAYsing1.53Å1.55Å
CASNATsing1.47Å1.48Å
CAWCAVsing1.53Å1.54Å
NATCAUsing1.47Å1.50Å
CAVCAUsing1.53Å1.55Å
CAMH1sing1.08Å1.08Å
CALH2sing1.08Å1.08Å
CABH3sing1.08Å1.08Å
NACH4sing0.97Å1.00Å
CAHH5sing1.08Å1.08Å
CAGH6sing1.08Å1.08Å
CAYH7sing1.09Å1.10Å
CAYH8sing1.09Å1.10Å
CAPH9sing1.09Å1.10Å
CAPH10sing1.09Å1.10Å
CAQH11sing1.09Å1.10Å
CAQH12sing1.09Å1.10Å
CARH13sing1.09Å1.10Å
CARH14sing1.09Å1.10Å
CAXH15sing1.09Å1.10Å
CAXH16sing1.09Å1.10Å
CAWH17sing1.09Å1.10Å
CAWH18sing1.09Å1.10Å
CAVH19sing1.09Å1.10Å
CAVH20sing1.09Å1.10Å
CAUH21sing1.09Å1.10Å
CAUH22sing1.09Å1.10Å
NATH23sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
NANCAMCAL114.7°115.8°
CAMNANCAJ116.9°117.0°
NANCAMH1122.7°122.1°
CAMCALSAK107.7°108.3°
CALCAMH1122.6°122.1°
CAMCALH2126.1°125.8°
NANCAJCAA130.2°125.5°
NANCAJSAK107.1°109.0°
CALSAKCAJ93.3°89.8°
SAKCALH2126.2°125.9°
CAACABNAC109.4°109.6°
CABCAACAJ122.7°126.8°
CABCAACAE107.2°106.5°
CAACABH3125.3°125.2°
CABNACCAD109.5°110.3°
NACCABH3125.3°125.2°
CABNACH4125.3°124.8°
CAACAJSAK121.6°125.5°
CAJCAACAE129.4°126.7°
CAACAECAD104.9°106.3°
CAACAECAF137.7°134.2°
NACCADCAE108.8°107.3°
NACCADNAI127.2°132.9°
CADNACH4125.2°124.8°
CADCAECAF117.5°119.5°
CAECADNAI123.9°119.8°
CAECAFNAO123.7°121.0°
CAECAFCAG117.8°117.9°
CAPCAQCAR107.8°109.3°
CAQCAPNAO116.8°109.6°
CAQCAPH9107.6°109.4°
CAQCAPH10107.6°109.5°
CAPCAQH11109.9°109.5°
CAPCAQH12109.9°109.4°
CAQCARCAS111.1°109.2°
CARCAQH11109.9°109.5°
CARCAQH12109.9°109.5°
CAQCARH13109.1°109.6°
CAQCARH14109.1°109.6°
CADNAICAH119.3°121.9°
CAPNAOCAF116.1°111.0°
CAPNAOCAY117.0°111.2°
NAOCAPH9107.6°109.5°
NAOCAPH10107.6°109.5°
NAICAHCAG121.2°121.6°
NAICAHH5119.4°119.2°
NAOCAFCAG118.0°121.0°
CAFNAOCAY118.4°111.0°
CAFCAGCAH120.3°119.2°
CAFCAGH6119.9°120.4°
NAOCAYCAS112.3°109.5°
NAOCAYH7108.7°109.5°
NAOCAYH8108.8°109.5°
CARCASCAX110.4°109.4°
CARCASCAY113.8°109.3°
CARCASNAT102.1°109.5°
CASCARH13109.1°109.5°
CASCARH14109.1°109.5°
CASCAXCAW113.4°109.3°
CAXCASCAY109.2°109.5°
CAXCASNAT110.3°109.5°
CASCAXH15108.5°109.5°
CASCAXH16108.5°109.5°
CAXCAWCAV110.1°109.1°
CAWCAXH15108.5°109.5°
CAWCAXH16108.5°109.6°
CAXCAWH17109.3°109.5°
CAXCAWH18109.3°109.5°
CAGCAHH5119.4°119.2°
CAHCAGH6119.9°120.4°
CAYCASNAT110.9°109.6°
CASCAYH7108.8°109.5°
CASCAYH8108.8°109.5°
CASNATCAU111.8°111.2°
CASNATH23108.9°111.0°
CAWCAVCAU112.5°109.3°
CAVCAWH17109.3°109.5°
CAVCAWH18109.3°109.5°
CAWCAVH19108.7°109.5°
CAWCAVH20108.7°109.5°
NATCAUCAV110.8°109.5°
NATCAUH21109.1°109.5°
NATCAUH22109.1°109.5°
CAUNATH23108.9°111.0°
CAUCAVH19108.7°109.5°
CAUCAVH20108.7°109.5°
CAVCAUH21109.1°109.4°
CAVCAUH22109.1°109.4°
H7CAYH8109.5°109.4°
H9CAPH10109.5°109.4°
H11CAQH12109.5°109.6°
H13CARH14109.4°109.5°
H15CAXH16109.5°109.6°
H17CAWH18109.5°109.6°
H19CAVH20109.5°109.5°
H21CAUH22109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
NANCAMCALH1180.0°179.9°
NANCAMCALSAK1.2°0.0°
CAMNANCAJCAA173.8°180.0°
CAMNANCAJSAK5.9°0.0°
NANCAMCALH2178.8°180.0°
CALCAMNANCAJ3.3°0.0°
CAMCALSAKH2180.0°180.0°
CAMCALSAKCAJ3.8°0.0°
NANCAJSAKCAL5.4°0.0°
NANCAJCAACAB43.8°80.7°
NANCAJCAASAK166.4°180.0°
NANCAJCAACAE146.4°99.5°
CAJNANCAMH1176.8°180.0°
CALSAKCAJCAA174.6°180.0°
SAKCALCAMH1178.8°180.0°
CAACABNACH3180.0°180.0°
CABCAACAJCAE169.8°179.8°
CABCAACAJSAK122.6°99.3°
CAACABNACCAD4.6°0.1°
CABCAACAECAD1.5°0.2°
CABCAACAECAF179.7°179.7°
CAACABNACH4175.4°180.0°
NACCABCAACAJ175.4°180.0°
NACCABCAACAE3.7°0.2°
CABNACCADH4180.0°179.8°
CABNACCADCAE3.6°0.0°
CABNACCADNAI179.1°179.8°
CAJCAACAECAD172.5°180.0°
CAJCAACAECAF8.7°0.1°
CAJCAACABH34.6°0.0°
SAKCAJCAACAE47.2°80.5°
CAJSAKCALH2176.2°180.0°
CAACAECADNAC1.3°0.1°
CAACAECADCAF179.1°179.9°
CAACAECADNAI178.7°180.0°
CAACAECAFNAO6.2°0.1°
CAACAECAFCAG177.8°179.9°
CAECAACABH3176.4°179.8°
NACCADCAENAI177.4°179.9°
NACCADCAECAF177.9°179.8°
NACCADNAICAH175.8°179.8°
CADNACCABH3175.4°179.8°
CAECADNAICAH1.1°0.0°
CADCAECAFNAO172.6°180.0°
CADCAECAFCAG1.0°0.0°
CAECADNACH4176.5°179.8°
CAFCAECADNAI0.4°0.1°
CAECAFNAOCAP47.9°76.1°
CAECAFNAOCAG171.6°180.0°
CAECAFNAOCAY164.9°159.7°
CAECAFCAGCAH0.1°0.0°
CAECAFCAGH6179.9°180.0°
CAPCAQCARH11119.7°119.9°
CAPCAQCARH12119.7°119.9°
CAQCAPNAOH9121.0°120.0°
CAQCAPNAOH10121.1°120.0°
CAQCAPNAOCAF169.1°174.2°
CAQCAPNAOCAY43.3°61.7°
CAPCAQCARCAS56.3°57.6°
CAQCAPH9H10116.7°119.9°
CAPCAQH11H12120.8°120.0°
CAPCAQCARH1364.0°62.3°
CAPCAQCARH14176.5°177.5°
CARCAQCAPNAO50.0°59.2°
CAQCARCASH13120.3°119.9°
CAQCARCASH14120.3°119.9°
CAQCARCASCAX65.7°62.2°
CAQCARCASCAY57.5°57.7°
CAQCARCASNAT177.0°177.8°
CARCAQCAPH9171.0°60.9°
CARCAQCAPH1071.1°179.2°
CARCAQH11H12120.8°120.1°
CAQCARH13H14119.3°120.2°
CADNAICAHCAG2.0°0.0°
NAICADNACH40.8°0.0°
CADNAICAHH5178.0°180.0°
CAPNAOCAFCAY147.2°124.2°
CAPNAOCAFCAG123.7°103.9°
CAPNAOCAYCAS39.3°61.7°
CAPNAOCAYH7159.7°178.2°
CAPNAOCAYH881.1°58.3°
NAOCAPH9H10116.7°120.0°
NAOCAPCAQH11169.7°179.1°
NAOCAPCAQH1269.8°60.7°
NAICAHCAGCAF1.5°0.1°
NAICAHCAGH5180.0°180.0°
NAICAHCAGH6178.5°180.0°
NAOCAFCAGCAH172.2°180.0°
CAFNAOCAYCAS173.8°174.2°
NAOCAFCAGH67.8°0.0°
CAFNAOCAYH753.4°54.1°
CAFNAOCAYH865.8°65.8°
CAFNAOCAPH948.0°65.8°
CAFNAOCAPH1069.9°54.2°
CAGCAFNAOCAY23.5°20.2°
CAFCAGCAHH6180.0°180.0°
CAFCAGCAHH5178.6°180.0°
NAOCAYCASCAR47.1°59.2°
NAOCAYCASCAX76.7°60.6°
NAOCAYCASH7120.4°120.0°
NAOCAYCASH8120.4°120.0°
NAOCAYCASNAT161.5°179.2°
NAOCAYH7H8118.7°120.0°
CAYNAOCAPH9164.3°58.3°
CAYNAOCAPH1077.8°178.3°
CARCASCAXCAY125.8°119.8°
CARCASCAXNAT112.1°120.0°
CARCASCAXCAW166.4°60.9°
CARCASCAYNAT114.4°120.0°
CARCASNATCAU176.2°58.3°
CARCASCAYH7167.5°179.2°
CARCASCAYH873.3°60.8°
CASCARCAQH11176.0°177.5°
CASCARCAQH1263.4°62.3°
CASCARH13H14119.3°120.1°
CARCASCAXH1545.9°59.0°
CARCASCAXH1673.0°179.1°
CARCASNATH2363.5°177.6°
CASCAXCAWH15120.6°119.9°
CASCAXCAWH16120.6°119.9°
CAXCASCAYNAT121.7°120.2°
CASCAXCAWCAV49.6°57.7°
CAXCASNATCAU58.8°61.7°
CAXCASCAYH743.7°59.4°
CAXCASCAYH8162.8°179.4°
CAXCASCARH13174.1°177.9°
CAXCASCARH1454.6°57.8°
CASCAXH15H16118.2°120.0°
CASCAXCAWH17169.7°62.2°
CASCAXCAWH1870.5°177.6°
CAXCASNATH23179.1°62.4°
CAWCAXCASCAY67.8°179.4°
CAWCAXCASNAT54.3°59.2°
CAXCAWCAVH17120.1°119.9°
CAXCAWCAVH18120.1°119.9°
CAXCAWCAVCAU49.8°57.6°
CAWCAXH15H16118.2°120.2°
CAXCAWH17H18119.7°120.2°
CAXCAWCAVH1970.6°177.6°
CAXCAWCAVH20170.2°62.2°
CAYCASNATCAU62.3°178.2°
CASCAYH7H8118.7°120.0°
CAYCASCARH1362.7°62.3°
CAYCASCARH14177.8°177.6°
CAYCASCAXH15171.7°60.7°
CAYCASCAXH1652.8°59.4°
CAYCASNATH2358.1°57.7°
CASNATCAUH23120.3°124.1°
CASNATCAUCAV59.8°61.7°
NATCASCAYH778.1°60.8°
NATCASCAYH841.1°59.2°
NATCASCARH1356.8°57.8°
NATCASCARH1462.7°62.3°
NATCASCAXH1566.3°179.1°
NATCASCAXH16174.9°60.8°
CASNATCAUH2160.4°58.3°
CASNATCAUH22180.0°178.3°
CAWCAVCAUNAT55.2°59.2°
CAWCAVCAUH19120.4°120.0°
CAWCAVCAUH20120.4°119.9°
CAVCAWCAXH1571.0°177.5°
CAVCAWCAXH16170.2°62.3°
CAVCAWH17H18119.7°120.2°
CAWCAVH19H20118.6°120.1°
CAWCAVCAUH2164.9°60.9°
CAWCAVCAUH22175.4°179.2°
NATCAUCAVH21120.2°120.0°
NATCAUCAVH22120.2°120.0°
NATCAUCAVH1965.2°179.2°
NATCAUCAVH20175.7°60.7°
NATCAUH21H22119.4°120.0°
CAUCAVCAWH17169.9°62.2°
CAUCAVCAWH1870.3°177.6°
CAUCAVH19H20118.6°120.1°
CAVCAUH21H22119.4°119.9°
CAVCAUNATH23179.9°62.4°
H1CAMCALH21.2°0.1°
H3CABNACH44.5°0.0°
H5CAHCAGH61.5°0.0°
H9CAPCAQH1169.3°59.1°
H9CAPCAQH1251.3°179.2°
H10CAPCAQH1148.6°60.8°
H10CAPCAQH12169.2°59.3°
H11CAQCARH1355.7°57.6°
H11CAQCARH1463.7°62.5°
H12CAQCARH13176.3°177.8°
H12CAQCARH1456.8°57.6°
H15CAXCAWH1749.1°57.7°
H15CAXCAWH18169.0°62.6°
H16CAXCAWH1769.7°177.8°
H16CAXCAWH1850.1°57.6°
H17CAWCAVH1949.5°57.8°
H17CAWCAVH2069.7°177.9°
H18CAWCAVH19169.3°62.5°
H18CAWCAVH2050.2°57.7°
H19CAVCAUH21174.6°59.1°
H19CAVCAUH2255.0°60.8°
H20CAVCAUH2155.5°179.2°
H20CAVCAUH2264.2°59.3°
H21CAUNATH2359.9°177.6°
H22CAUNATH2359.7°57.6°

253795

PDB entries from 2026-05-20

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