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J0A

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAUSATdoub1.42Å1.63Å
NAWSATsing1.66Å1.70Å
CARCALsing1.53Å1.54Å
SATOASsing1.52Å1.62Å
SATOAVdoub1.42Å1.62Å
OASCAQsing1.43Å1.38Å
CAMCALsing1.49Å1.56Å
CAMCANdoub1.35Å1.56Å
CALCAQsing1.52Å1.48Å
CALCAKsing1.55Å1.45Å
CANCAJsing1.48Å1.55Å
CAQCAPsing1.55Å1.56Å
OAXCAYsing1.43Å1.40Å
OAXCABsing1.36Å1.40Å
CAACABdoub1.36Å1.37ÅAromatic
CAACAFsing1.40Å1.41ÅAromatic
CAPCAOsing1.55Å1.65Å
CAJCAFdoub1.41Å1.40ÅAromatic
CAJCAIsing1.40Å1.43ÅAromatic
CAKCAIsing1.49Å1.51Å
CAKCAOsing1.53Å1.54Å
CABCACsing1.40Å1.33ÅAromatic
CAFCAEsing1.42Å1.37ÅAromatic
CAICAHdoub1.38Å1.47ÅAromatic
CACOAZsing1.36Å1.36Å
CACCADdoub1.36Å1.33ÅAromatic
CAECADsing1.41Å1.36ÅAromatic
CAECAGdoub1.40Å1.36ÅAromatic
CAHCAGsing1.37Å1.47ÅAromatic
OAZSBAsing1.52Å1.64Å
NBDSBAsing1.66Å1.65Å
SBAOBBdoub1.42Å1.61Å
SBAOBCdoub1.42Å1.55Å
CAYH1sing1.09Å1.10Å
CAYH2sing1.09Å1.10Å
CAYH3sing1.09Å1.10Å
CAAH4sing1.08Å1.08Å
CANH5sing1.08Å1.08Å
CAMH6sing1.08Å1.08Å
CARH7sing1.09Å1.10Å
CARH8sing1.09Å1.10Å
CARH9sing1.09Å1.10Å
CAQH10sing1.09Å1.10Å
NAWH11sing0.97Å1.00Å
NAWH12sing0.97Å1.00Å
CAPH13sing1.09Å1.10Å
CAPH14sing1.09Å1.10Å
CAOH15sing1.09Å1.10Å
CAOH16sing1.09Å1.10Å
CAKH17sing1.09Å1.10Å
CAHH18sing1.08Å1.08Å
CAGH19sing1.08Å1.08Å
CADH20sing1.08Å1.08Å
NBDH21sing0.97Å1.00Å
NBDH22sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAUSATNAW103.8°106.4°
OAUSATOAS104.8°106.4°
OAUSATOAV113.2°123.1°
NAWSATOAS107.7°107.2°
NAWSATOAV114.2°106.4°
SATNAWH11109.5°120.0°
SATNAWH12109.4°120.0°
CARCALCAM116.5°109.2°
CARCALCAQ108.6°109.1°
CARCALCAK109.7°108.2°
CALCARH7109.5°109.5°
CALCARH8109.5°109.5°
CALCARH9109.4°109.4°
OASSATOAV112.4°106.4°
SATOASCAQ119.8°114.0°
OASCAQCAL109.4°110.3°
OASCAQCAP113.6°110.4°
OASCAQH10110.6°110.4°
CALCAMCAN120.5°116.3°
CAMCALCAQ115.0°118.5°
CAMCALCAK107.7°108.0°
CALCAMH6119.7°121.9°
CAMCANCAJ117.6°119.2°
CAMCANH5121.2°120.4°
CANCAMH6119.7°121.9°
CAQCALCAK97.6°103.3°
CALCAQCAP105.7°105.1°
CALCAQH10109.2°110.3°
CALCAKCAI127.0°106.2°
CALCAKCAO117.8°101.4°
CALCAKH1796.2°110.3°
CANCAJCAF119.0°121.4°
CANCAJCAI120.2°119.5°
CAJCANH5121.2°120.4°
CAQCAPCAO105.7°106.3°
CAPCAQH10108.2°110.3°
CAQCAPH13110.4°110.0°
CAQCAPH14110.4°110.1°
CAYOAXCAB126.4°117.0°
OAXCAYH1109.5°109.5°
OAXCAYH2109.5°109.4°
OAXCAYH3109.5°109.5°
OAXCABCAA114.8°119.6°
OAXCABCAC123.5°119.6°
CABCAACAF115.0°119.8°
CAACABCAC121.7°120.8°
CABCAAH4122.5°120.1°
CAACAFCAJ119.8°121.3°
CAACAFCAE119.3°119.5°
CAFCAAH4122.5°120.1°
CAPCAOCAK94.4°102.8°
CAOCAPH13110.4°110.1°
CAOCAPH14110.4°110.1°
CAPCAOH15113.1°110.8°
CAPCAOH16113.1°110.8°
CAFCAJCAI120.8°119.1°
CAJCAFCAE120.9°119.1°
CAJCAICAK115.1°115.7°
CAJCAICAH118.0°120.9°
CAICAKCAO111.9°117.3°
CAKCAICAH126.9°123.4°
CAICAKH1796.0°110.3°
CAKCAOH15113.1°110.7°
CAKCAOH16113.1°110.9°
CAOCAKH1795.8°110.8°
CABCACOAZ121.4°119.6°
CABCACCAD125.9°120.8°
CAFCAECAD124.5°119.3°
CAFCAECAG122.9°119.7°
CAICAHCAG117.5°120.9°
CAICAHH18121.3°119.6°
OAZCACCAD112.7°119.7°
CACOAZSBA133.9°114.0°
CACCADCAE113.6°119.8°
CACCADH20123.2°120.1°
CADCAECAG112.5°121.0°
CAECADH20123.2°120.1°
CAECAGCAH119.8°120.2°
CAECAGH19120.1°119.9°
CAGCAHH18121.2°119.5°
CAHCAGH19120.1°119.9°
OAZSBANBD115.4°107.3°
OAZSBAOBB97.2°106.4°
OAZSBAOBC126.3°106.4°
NBDSBAOBB117.8°106.4°
NBDSBAOBC96.1°106.4°
SBANBDH21109.5°120.0°
SBANBDH22109.5°120.0°
OBBSBAOBC105.2°123.1°
H1CAYH2109.4°109.6°
H1CAYH3109.5°109.5°
H2CAYH3109.4°109.4°
H7CARH8109.5°109.5°
H7CARH9109.5°109.5°
H8CARH9109.5°109.5°
H11NAWH12109.5°120.0°
H13CAPH14109.5°110.1°
H15CAOH16109.5°110.6°
H21NBDH22109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAUSATNAWOAS110.8°113.5°
OAUSATNAWOAV123.7°132.9°
OAUSATOASOAV123.3°132.9°
OAUSATOASCAQ116.7°171.4°
OAUSATNAWH11180.0°36.5°
OAUSATNAWH1260.0°143.6°
NAWSATOASOAV126.7°113.6°
NAWSATOASCAQ133.3°75.1°
SATNAWH11H12120.0°179.9°
CARCALCAQOAS51.0°34.0°
CARCALCAMCAQ128.8°125.7°
CARCALCAMCAK123.6°117.5°
CARCALCAMCAN98.8°72.5°
CARCALCAQCAK113.8°115.0°
CARCALCAQCAP71.7°85.0°
CARCALCAKCAI85.1°52.7°
CARCALCAKCAO72.6°70.4°
CARCALCAMH681.2°107.4°
CALCARH7H8120.0°120.0°
CALCARH7H9120.0°120.0°
CALCARH8H9120.0°120.0°
CARCALCAQH10172.1°156.1°
CARCALCAKH17172.6°172.3°
SATOASCAQCAL129.0°145.0°
SATOASCAQCAP113.1°99.3°
SATOASCAQH108.7°22.9°
OASSATNAWH1169.3°150.0°
OASSATNAWH12170.8°30.1°
OAVSATOASCAQ6.7°38.5°
OAVSATNAWH1156.3°96.4°
OAVSATNAWH1263.7°83.5°
OASCAQCALCAM81.7°91.7°
OASCAQCALCAP122.6°119.0°
OASCAQCALH10121.2°122.1°
OASCAQCALCAK164.7°148.9°
OASCAQCAPH10123.2°122.2°
OASCAQCAPCAO153.4°122.8°
OASCAQCAPH1387.2°118.0°
OASCAQCAPH1434.0°3.6°
CALCAMCANH6180.0°179.9°
CAMCALCAQCAK113.6°119.3°
CALCAMCANCAJ1.1°0.1°
CAMCALCAQCAP155.7°149.3°
CAMCALCAKCAI42.6°65.4°
CAMCALCAKCAO159.7°171.5°
CALCAMCANH5178.9°179.7°
CAMCALCARH7180.0°60.7°
CAMCALCARH860.0°179.3°
CAMCALCARH960.0°59.3°
CAMCALCAQH1039.5°30.4°
CAMCALCAKH1759.7°54.1°
CANCAMCALCAQ132.3°161.8°
CANCAMCALCAK24.8°45.0°
CAMCANCAJH5180.0°179.9°
CAMCANCAJCAF168.3°154.3°
CAMCANCAJCAI12.4°26.4°
CALCAQCAPH10116.9°118.9°
CALCAQCAPCAO33.5°3.9°
CAQCALCAKCAI161.9°168.3°
CAQCALCAKCAO40.3°45.2°
CAQCALCAMH647.7°18.3°
CAQCALCARH748.1°168.4°
CAQCALCARH871.9°48.4°
CAQCALCARH9168.2°71.6°
CALCAQCAPH13152.9°123.1°
CALCAQCAPH1485.9°115.3°
CAQCALCAKH1759.6°72.2°
CAKCALCAQCAP42.1°30.0°
CALCAKCAOCAP19.5°42.0°
CALCAKCAICAJ31.8°42.0°
CALCAKCAICAO158.8°112.4°
CALCAKCAIH17102.4°119.5°
CALCAKCAOH17100.2°117.1°
CALCAKCAICAH149.7°137.8°
CAKCALCAMH6155.2°135.1°
CAKCALCARH757.4°56.7°
CAKCALCARH8177.4°63.3°
CAKCALCARH962.6°176.7°
CAKCALCAQH1074.1°88.9°
CALCAKCAOH15136.9°160.4°
CALCAKCAOH1698.0°76.4°
CANCAJCAFCAA0.0°1.5°
CANCAJCAFCAI179.3°179.3°
CANCAJCAICAK0.1°1.7°
CANCAJCAFCAE179.6°178.4°
CANCAJCAICAH178.7°178.4°
CAJCANCAMH6178.9°179.8°
CAQCAPCAOH13119.4°119.2°
CAQCAPCAOH14119.4°119.2°
CAQCAPCAOCAK9.1°24.1°
CAQCAPH13H14121.7°121.5°
CAQCAPCAOH15108.3°142.4°
CAQCAPCAOH16126.5°94.4°
CAYOAXCABCAA174.7°0.4°
CAYOAXCABCAC6.4°180.0°
OAXCAYH1H2120.0°120.0°
OAXCAYH1H3120.0°120.0°
OAXCAYH2H3120.0°119.9°
OAXCABCAACAC178.9°179.6°
OAXCABCAACAF176.8°179.9°
OAXCABCACOAZ0.8°0.1°
OAXCABCACCAD175.3°179.9°
CABOAXCAYH1180.0°59.9°
CABOAXCAYH260.0°180.0°
CABOAXCAYH360.0°60.1°
OAXCABCAAH43.2°0.1°
CABCAACAFH4180.0°179.9°
CABCAACAFCAJ179.8°179.7°
CABCAACAFCAE0.3°0.1°
CAACABCACOAZ179.7°179.8°
CAACABCACCAD3.5°0.5°
CAACAFCAJCAE179.6°179.8°
CAACAFCAJCAI179.3°179.3°
CAFCAACABCAC2.1°0.3°
CAACAFCAECAD1.6°0.1°
CAACAFCAECAG177.6°179.8°
CAPCAOCAKCAI179.6°157.2°
CAPCAOCAKH15117.4°118.4°
CAPCAOCAKH16117.4°118.4°
CAOCAPCAQH1083.4°115.0°
CAOCAPH13H14121.7°121.6°
CAPCAOH15H16127.1°123.2°
CAPCAOCAKH1780.7°75.0°
CAFCAJCAICAK179.2°179.0°
CAFCAJCAICAH0.6°0.9°
CAJCAFCAECAD178.8°179.7°
CAJCAFCAECAG2.8°0.4°
CAJCAFCAAH40.2°0.2°
CAFCAJCANH511.7°25.8°
CAJCAICAKCAH178.5°179.8°
CAJCAICAKCAO169.4°154.5°
CAICAJCAFCAE1.1°0.9°
CAJCAICAHCAG0.9°0.3°
CAICAJCANH5167.6°153.4°
CAJCAICAKH1770.6°77.5°
CAJCAICAHH18179.1°179.6°
CAICAKCAOH1798.8°127.8°
CAKCAICAHCAG179.3°179.5°
CAICAKCAOH1562.2°84.4°
CAICAKCAOH1663.0°38.8°
CAKCAICAHH180.7°0.5°
CAOCAKCAICAH9.1°25.4°
CAKCAOCAPH13128.5°95.1°
CAKCAOCAPH14110.3°143.3°
CAKCAOH15H16127.1°123.3°
CABCACOAZCAD176.6°179.8°
CABCACCADCAE2.1°0.5°
CABCACOAZSBA94.6°90.0°
CACCABCAAH4177.9°179.8°
CABCACCADH20177.9°179.7°
CAFCAECADCAC0.5°0.3°
CAFCAECADCAG176.4°179.9°
CAFCAECAGCAH2.5°0.2°
CAECAFCAAH4179.8°179.9°
CAFCAECAGH19177.5°179.8°
CAFCAECADH20179.6°179.9°
CAICAHCAGCAE0.6°0.2°
CAICAHCAGH18180.0°180.0°
CAHCAICAKH17107.8°102.6°
CAICAHCAGH19179.4°179.8°
OAZCACCADCAE178.5°179.7°
CACOAZSBANBD112.8°74.9°
CACOAZSBAOBB121.6°171.5°
CACOAZSBAOBC6.8°38.6°
OAZCACCADH201.5°0.1°
CACCADCAEH20180.0°179.8°
CACCADCAECAG176.9°179.6°
CADCACOAZSBA88.8°89.7°
CADCAECAGCAH179.0°179.7°
CADCAECAGH191.0°0.3°
CAECAGCAHH19180.0°180.0°
CAECAGCAHH18179.4°179.8°
CAGCAECADH203.1°0.2°
OAZSBANBDOBB114.1°113.6°
OAZSBANBDOBC135.2°113.6°
OAZSBAOBBOBC130.7°122.9°
OAZSBANBDH21180.0°0.0°
OAZSBANBDH2260.0°180.0°
NBDSBAOBBOBC105.5°122.9°
SBANBDH21H22120.0°179.9°
OBBSBANBDH2165.9°113.5°
OBBSBANBDH2254.1°66.4°
OBCSBANBDH2144.8°113.6°
OBCSBANBDH22164.8°66.5°
H1CAYH2H3120.0°120.0°
H5CANCAMH61.1°0.4°
H7CARH8H9120.0°120.0°
H10CAQCAPH1336.0°4.3°
H10CAQCAPH14157.2°125.8°
H13CAPCAOH1511.1°23.2°
H13CAPCAOH16114.0°146.4°
H14CAPCAOH15132.3°98.4°
H14CAPCAOH167.2°24.8°
H15CAOCAKH1736.7°43.3°
H16CAOCAKH17161.8°166.5°
H18CAHCAGH190.6°0.2°

222624

PDB entries from 2024-07-17

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