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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAYNAZdoub1.32Å1.38ÅAromatic
CAYCAXsing1.38Å1.40ÅAromatic
NAZCBAsing1.32Å1.37ÅAromatic
CAXCAWdoub1.40Å1.39ÅAromatic
CBACAVdoub1.39Å1.40ÅAromatic
CAWCAVsing1.41Å1.40ÅAromatic
CAWCBBsing1.48Å1.43Å
CAVNAQsing1.39Å1.35Å
CBBNBDsing1.35Å1.34Å
CBBOBCdoub1.22Å1.22Å
NBDCBEsing1.47Å1.45Å
NAQCAAsing1.40Å1.35Å
CAFCAAdoub1.38Å1.40ÅAromatic
CAFCAEsing1.40Å1.39ÅAromatic
CAACABsing1.40Å1.41ÅAromatic
CBFCBGsing1.55Å1.52Å
CBFCBEsing1.55Å1.53Å
NAMCAEdoub1.34Å1.34ÅAromatic
NAMCANsing1.31Å1.39ÅAromatic
CAECADsing1.42Å1.39ÅAromatic
CANCAOdoub1.39Å1.38ÅAromatic
CBGNBHsing1.48Å1.46Å
CBECBIsing1.54Å1.49Å
CABCACdoub1.38Å1.42ÅAromatic
NBHCBIsing1.48Å1.48Å
NBHCBJsing1.47Å1.48Å
CADCACsing1.42Å1.41ÅAromatic
CADNAPdoub1.33Å1.35ÅAromatic
CAONAPsing1.32Å1.40ÅAromatic
CACCAGsing1.48Å1.44Å
CALCAGdoub1.40Å1.40ÅAromatic
CALCAKsing1.36Å1.38ÅAromatic
CAGCAHsing1.39Å1.40ÅAromatic
CAKCAJdoub1.40Å1.33ÅAromatic
CAJCAIsing1.41Å1.35ÅAromatic
CAJCARsing1.46Å1.34ÅAromatic
CAHCAIdoub1.39Å1.33ÅAromatic
CAINATsing1.38Å1.32ÅAromatic
CARCASdoub1.34Å1.34ÅAromatic
NATCASsing1.37Å1.32ÅAromatic
NATCAUsing1.47Å1.44Å
CBFH1sing1.09Å1.10Å
CBFH2sing1.09Å1.10Å
CBGH3sing1.09Å1.10Å
CBGH4sing1.09Å1.10Å
CBJH6sing1.09Å1.10Å
CBJH7sing1.09Å1.10Å
CBJH8sing1.09Å1.10Å
CBIH9sing1.09Å1.10Å
CBIH10sing1.09Å1.10Å
CBEH11sing1.09Å1.10Å
NBDH12sing0.97Å1.00Å
CAXH13sing1.08Å1.08Å
CAYH14sing1.08Å1.08Å
CBAH15sing1.08Å1.08Å
NAQH16sing0.97Å1.00Å
CABH17sing1.08Å1.08Å
CAFH18sing1.08Å1.08Å
CANH19sing1.08Å1.08Å
CAOH20sing1.08Å1.08Å
CAHH21sing1.08Å1.08Å
CAUH22sing1.09Å1.10Å
CAUH23sing1.09Å1.10Å
CAUH24sing1.09Å1.10Å
CASH25sing1.08Å1.08Å
CARH26sing1.08Å1.08Å
CAKH27sing1.08Å1.08Å
CALH28sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NAZCAYCAX119.9°121.1°
CAYNAZCBA117.7°122.2°
NAZCAYH14120.1°119.4°
CAYCAXCAW123.5°119.1°
CAYCAXH13118.3°120.4°
CAXCAYH14120.0°119.4°
NAZCBACAV122.7°120.8°
NAZCBAH15118.7°119.6°
CAXCAWCAV115.8°118.0°
CAXCAWCBB120.8°121.0°
CAWCAXH13118.3°120.5°
CBACAVCAW120.5°118.8°
CBACAVNAQ123.4°120.6°
CAVCBAH15118.6°119.6°
CAVCAWCBB123.5°121.0°
CAWCAVNAQ116.1°120.6°
CAWCBBNBD118.5°120.0°
CAWCBBOBC122.1°120.0°
CAVNAQCAA125.4°120.0°
CAVNAQH16117.3°120.0°
NBDCBBOBC119.3°120.0°
CBBNBDCBE123.3°120.0°
CBBNBDH12118.3°120.0°
NBDCBECBF109.5°110.3°
NBDCBECBI108.8°110.3°
NBDCBEH11112.0°110.3°
CBENBDH12118.4°120.0°
NAQCAACAF123.4°119.6°
NAQCAACAB118.3°119.6°
CAANAQH16117.3°120.0°
CAACAFCAE119.3°120.0°
CAFCAACAB118.0°120.8°
CAACAFH18120.3°120.0°
CAFCAENAM118.5°120.9°
CAFCAECAD122.5°119.5°
CAECAFH18120.4°120.0°
CAACABCAC123.4°120.6°
CAACABH17118.3°119.7°
CBGCBFCBE105.9°102.9°
CBFCBGNBH102.9°103.2°
CBGCBFH1110.4°110.7°
CBGCBFH2110.4°110.7°
CBFCBGH3111.1°110.7°
CBFCBGH4111.1°110.7°
CBFCBECBI104.3°105.1°
CBECBFH1110.3°110.8°
CBECBFH2110.3°110.7°
CBFCBEH11110.7°110.4°
CAENAMCAN123.2°119.7°
NAMCAECAD119.0°119.6°
NAMCANCAO117.8°120.7°
NAMCANH19121.1°119.7°
CAECADCAC120.1°119.4°
CAECADNAP119.1°119.6°
CANCAONAP118.7°120.7°
CAOCANH19121.1°119.6°
CANCAOH20120.7°119.7°
CBGNBHCBI104.5°105.9°
CBGNBHCBJ114.5°111.0°
NBHCBGH3111.1°110.7°
NBHCBGH4111.1°110.7°
CBECBINBH103.3°107.0°
CBECBIH9111.0°109.9°
CBECBIH10111.0°110.1°
CBICBEH11111.3°110.4°
CABCACCAD116.7°119.6°
CABCACCAG120.7°120.2°
CACCABH17118.3°119.7°
CBINBHCBJ114.5°111.0°
NBHCBIH9111.0°109.9°
NBHCBIH10111.0°109.9°
NBHCBJH6109.5°109.4°
NBHCBJH7109.5°109.5°
NBHCBJH8109.5°109.5°
CACCADNAP120.8°120.9°
CADCACCAG122.6°120.2°
CADNAPCAO122.2°119.8°
NAPCAOH20120.6°119.6°
CACCAGCAL120.0°119.8°
CACCAGCAH123.8°119.8°
CAGCALCAK121.6°120.4°
CALCAGCAH116.2°120.4°
CAGCALH28119.2°119.8°
CALCAKCAJ118.7°120.0°
CALCAKH27120.6°120.0°
CAKCALH28119.2°119.8°
CAGCAHCAI120.5°119.7°
CAGCAHH21119.7°120.2°
CAKCAJCAI121.1°120.1°
CAKCAJCAR130.7°133.8°
CAJCAKH27120.6°120.0°
CAICAJCAR108.1°106.1°
CAJCAICAH121.8°119.5°
CAJCAINAT106.6°107.1°
CAJCARCAS107.6°107.0°
CAJCARH26126.2°126.5°
CAHCAINAT131.6°133.4°
CAICAHH21119.8°120.2°
CAINATCAS110.0°109.9°
CAINATCAU127.0°125.0°
CARCASNAT107.6°109.9°
CARCASH25126.2°125.0°
CASCARH26126.2°126.5°
CASNATCAU123.0°125.1°
NATCASH25126.2°125.1°
NATCAUH22109.5°109.5°
NATCAUH23109.5°109.5°
NATCAUH24109.5°109.5°
H1CBFH2109.5°110.8°
H3CBGH4109.5°110.7°
H6CBJH7109.4°109.5°
H6CBJH8109.5°109.5°
H7CBJH8109.5°109.5°
H9CBIH10109.5°109.9°
H22CAUH23109.5°109.4°
H22CAUH24109.5°109.5°
H23CAUH24109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NAZCAYCAXH14180.0°179.9°
NAZCAYCAXCAW0.3°0.1°
CAYNAZCBACAV0.9°0.1°
NAZCAYCAXH13179.7°179.9°
CAYNAZCBAH15179.1°179.9°
CAXCAYNAZCBA0.5°0.1°
CAYCAXCAWH13180.0°179.9°
CAYCAXCAWCAV0.4°0.0°
CAYCAXCAWCBB179.9°179.7°
NAZCBACAVH15180.0°180.0°
NAZCBACAVCAW1.1°0.0°
NAZCBACAVNAQ178.4°179.7°
CBANAZCAYH14179.5°180.0°
CAXCAWCAVCBA0.7°0.0°
CAXCAWCAVCBB179.6°179.7°
CAXCAWCAVNAQ178.3°179.7°
CAXCAWCBBNBD25.1°2.0°
CAXCAWCBBOBC160.1°178.1°
CAWCAXCAYH14179.7°179.9°
CBACAVCAWNAQ177.5°179.7°
CBACAVCAWCBB179.6°179.7°
CBACAVNAQCAA4.9°99.4°
CBACAVNAQH16175.1°80.6°
CAVCAWCBBNBD154.6°177.7°
CAVCAWCBBOBC20.3°2.3°
CAWCAVNAQCAA177.7°80.9°
CAVCAWCAXH13179.6°180.0°
CAWCAVCBAH15178.9°180.0°
CAWCAVNAQH162.3°99.1°
CBBCAWCAVNAQ2.1°0.0°
CAWCBBNBDOBC175.0°180.0°
CAWCBBNBDCBE179.5°180.0°
CAWCBBNBDH120.5°0.1°
CBBCAWCAXH130.1°0.4°
CAVNAQCAAH16180.0°180.0°
CAVNAQCAACAF51.4°5.3°
CAVNAQCAACAB135.5°174.5°
NAQCAVCBAH151.6°0.3°
CBBNBDCBEH12180.0°179.9°
CBBNBDCBECBF141.8°155.0°
CBBNBDCBECBI104.8°89.3°
CBBNBDCBEH1118.6°32.9°
OBCCBBNBDCBE4.5°0.0°
OBCCBBNBDH12175.5°179.9°
NBDCBECBFCBG110.9°140.9°
NBDCBECBFCBI116.3°118.9°
NBDCBECBFH11124.0°122.1°
NBDCBECBIH11123.9°122.1°
NBDCBECBINBH87.4°117.7°
NBDCBECBFH18.5°22.5°
NBDCBECBFH2129.6°100.8°
NBDCBECBIH931.6°123.0°
NBDCBECBIH10153.6°1.8°
NAQCAACAFCAB173.1°179.8°
NAQCAACAFCAE176.7°180.0°
NAQCAACABCAC175.9°179.9°
NAQCAACABH174.1°0.0°
NAQCAACAFH183.3°0.1°
CAACAFCAEH18180.0°179.9°
CAACAFCAENAM178.3°180.0°
CAACAFCAECAD2.6°0.0°
CAFCAACABCAC2.4°0.3°
CAFCAANAQH16128.6°174.7°
CAFCAACABH17177.6°179.7°
CAECAFCAACAB3.6°0.2°
CAFCAENAMCAD179.2°180.0°
CAFCAENAMCAN179.3°180.0°
CAFCAECADCAC0.2°0.3°
CAFCAECADNAP178.8°180.0°
CAACABCACH17180.0°180.0°
CAACABCACCAD0.1°0.1°
CAACABCACCAG177.5°180.0°
CABCAANAQH1644.4°5.5°
CABCAACAFH18176.4°179.7°
CBGCBFCBEH1119.4°118.4°
CBGCBFCBEH2119.4°118.3°
CBFCBGNBHH3118.9°118.5°
CBFCBGNBHH4118.9°118.4°
CBGCBFCBECBI5.4°22.0°
CBFCBGNBHCBI40.0°39.2°
CBFCBGNBHCBJ166.1°159.7°
CBGCBFH1H2121.7°123.3°
CBFCBGH3H4123.1°123.1°
CBGCBFCBEH11125.1°97.0°
CBECBFCBGNBH20.9°37.4°
CBFCBECBIH11119.3°119.0°
CBFCBECBINBH29.4°1.2°
CBECBFH1H2121.6°123.2°
CBECBFCBGH398.1°81.0°
CBECBFCBGH4139.8°155.9°
CBFCBECBIH9148.5°118.1°
CBFCBECBIH1089.5°120.7°
CBFCBENBDH1238.2°24.9°
CAENAMCANCAO2.6°0.0°
NAMCAECADCAC179.3°179.8°
NAMCAECADNAP0.4°0.0°
NAMCAECAFH181.7°0.1°
CAENAMCANH19177.4°180.0°
CANNAMCAECAD1.5°0.0°
NAMCANCAOH19180.0°180.0°
NAMCANCAONAP1.9°0.1°
NAMCANCAOH20178.2°180.0°
CAECADCACCAB1.0°0.2°
CAECADCACNAP178.9°179.8°
CAECADNAPCAO1.1°0.1°
CAECADCACCAG178.6°179.8°
CADCAECAFH18177.4°180.0°
CANCAONAPCAD0.1°0.1°
CANCAONAPH20180.0°179.9°
CBGNBHCBICBE44.2°25.3°
CBGNBHCBICBJ126.1°120.5°
NBHCBGCBFH198.6°81.0°
NBHCBGCBFH2140.3°155.7°
NBHCBGH3H4123.1°123.1°
CBGNBHCBJH6180.0°59.8°
CBGNBHCBJH760.0°179.9°
CBGNBHCBJH860.0°60.1°
CBGNBHCBIH9163.3°94.0°
CBGNBHCBIH1074.8°144.9°
CBECBINBHH9119.0°119.3°
CBECBINBHH10119.0°119.6°
CBECBINBHCBJ170.3°145.8°
CBICBECBFH1124.9°96.4°
CBICBECBFH2114.0°140.3°
CBECBIH9H10122.9°121.3°
CBICBENBDH1275.2°90.8°
CABCACCADCAG177.5°180.0°
CABCACCADNAP180.0°180.0°
CABCACCAGCAL121.7°129.7°
CABCACCAGCAH58.2°50.0°
CBINBHCBGH378.9°79.2°
CBINBHCBGH4158.9°157.7°
CBINBHCBJH659.3°177.3°
CBINBHCBJH760.7°62.7°
CBINBHCBJH8179.3°57.3°
NBHCBIH9H10122.8°121.2°
NBHCBICBEH11148.8°120.2°
CBJNBHCBGH347.1°41.3°
CBJNBHCBGH475.0°81.8°
NBHCBJH6H7120.0°120.0°
NBHCBJH6H8120.0°120.0°
NBHCBJH7H8120.0°120.0°
CBJNBHCBIH970.6°26.6°
CBJNBHCBIH1051.3°94.6°
CACCADNAPCAO180.0°179.8°
CADCACCAGCAL55.7°50.2°
CADCACCAGCAH124.4°130.0°
CADCACCABH17179.9°180.0°
NAPCADCACCAG2.5°0.0°
CADNAPCAOH20179.9°180.0°
NAPCAOCANH19178.1°179.9°
CACCAGCALCAH179.9°179.8°
CACCAGCALCAK179.9°179.8°
CACCAGCAHCAI178.9°180.0°
CAGCACCABH172.5°0.0°
CACCAGCAHH211.1°0.1°
CACCAGCALH280.1°0.0°
CAGCALCAKH28180.0°179.8°
CAGCALCAKCAJ1.5°0.5°
CALCAGCAHCAI1.1°0.3°
CALCAGCAHH21179.0°179.8°
CAGCALCAKH27178.5°179.8°
CAKCALCAGCAH0.0°0.5°
CALCAKCAJH27180.0°179.8°
CALCAKCAJCAI1.9°0.3°
CALCAKCAJCAR180.0°179.7°
CAGCAHCAICAJ0.7°0.0°
CAGCAHCAIH21180.0°179.9°
CAGCAHCAINAT178.9°180.0°
CAHCAGCALH28180.0°179.7°
CAKCAJCAICAR178.4°180.0°
CAKCAJCAICAH0.9°0.0°
CAKCAJCAINAT179.4°180.0°
CAKCAJCARCAS179.8°180.0°
CAKCAJCARH260.3°0.0°
CAJCAKCALH28178.5°179.7°
CAJCAICAHNAT179.5°180.0°
CAICAJCARCAS1.5°0.0°
CAJCAINATCAS0.1°0.0°
CAJCAINATCAU178.1°180.0°
CAJCAICAHH21179.3°179.9°
CAICAJCARH26178.5°180.0°
CAICAJCAKH27178.1°180.0°
CARCAJCAICAH179.3°180.0°
CARCAJCAINAT1.0°0.0°
CAJCARCASH26180.0°180.0°
CAJCARCASNAT1.5°0.0°
CAJCARCASH25178.5°180.0°
CARCAJCAKH270.0°0.0°
CAHCAINATCAS179.7°180.0°
CAHCAINATCAU1.5°0.0°
CAINATCASCAR0.9°0.0°
CAINATCASCAU178.3°180.0°
NATCAICAHH211.1°0.1°
CAINATCAUH22180.0°90.1°
CAINATCAUH2360.0°150.0°
CAINATCAUH2460.0°30.0°
CAINATCASH25179.1°180.0°
CARCASNATH25180.0°180.0°
CARCASNATCAU179.1°180.0°
CASNATCAUH222.0°90.0°
CASNATCAUH23118.0°30.0°
CASNATCAUH24122.0°150.0°
NATCASCARH26178.6°180.0°
NATCAUH22H23120.0°120.0°
NATCAUH22H24120.0°120.1°
NATCAUH23H24120.0°120.1°
CAUNATCASH250.9°0.0°
H1CBFCBGH3142.5°160.6°
H1CBFCBGH420.4°37.5°
H1CBFCBEH11115.4°144.6°
H2CBFCBGH321.4°37.3°
H2CBFCBGH4100.8°85.8°
H2CBFCBEH115.7°21.3°
H6CBJH7H8120.0°120.0°
H9CBICBEH1192.2°0.8°
H10CBICBEH1129.8°120.4°
H11CBENBDH12161.4°147.1°
H13CAXCAYH140.3°0.0°
H19CANCAOH201.9°0.0°
H22CAUH23H24120.0°120.0°
H25CASCARH261.4°0.0°
H27CAKCALH281.4°0.0°

222415

PDB entries from 2024-07-10

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