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29S

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CABCACsing1.54Å1.54Å
CABCAAsing1.54Å1.56Å
CACCADsing1.51Å1.55Å
CAACAGsing1.51Å1.57Å
CADCAEsing1.54Å1.53Å
CAGNAFsing1.48Å1.48Å
CAENAFsing1.40Å1.48Å
NAFCAHsing1.47Å1.46Å
OBICBFsing1.36Å1.36Å
CAHCAIsing1.53Å1.51Å
CBFCBGdoub1.38Å1.38ÅAromatic
CBFCBEsing1.39Å1.40ÅAromatic
OAJCAIsing1.43Å1.41Å
OAJCAKsing1.36Å1.38Å
CBGCATsing1.40Å1.33ÅAromatic
CAPCAKdoub1.39Å1.42ÅAromatic
CAPCAOsing1.38Å1.39ÅAromatic
CBECBDdoub1.38Å1.38ÅAromatic
CAKCALsing1.39Å1.39ÅAromatic
CATCAUsing1.46Å1.32ÅAromatic
CATCASdoub1.41Å1.35ÅAromatic
CAOCANdoub1.38Å1.42ÅAromatic
CBHCAUsing1.51Å1.54Å
CBDCASsing1.39Å1.36ÅAromatic
CAUCAVdoub1.36Å1.33ÅAromatic
CASNARsing1.38Å1.35ÅAromatic
CALCAMdoub1.38Å1.39ÅAromatic
CAVNARsing1.38Å1.32ÅAromatic
CAVCAWsing1.48Å1.33Å
CANCAMsing1.38Å1.39ÅAromatic
CANCAQsing1.51Å1.40Å
NARCAQsing1.47Å1.49Å
CBBCAWdoub1.40Å1.38ÅAromatic
CBBCBAsing1.38Å1.37ÅAromatic
CAWCAXsing1.40Å1.40ÅAromatic
CBACAZdoub1.39Å1.37ÅAromatic
CAXCAYdoub1.38Å1.39ÅAromatic
CAZOBCsing1.36Å1.34Å
CAZCAYsing1.39Å1.39ÅAromatic
CAEH1sing1.09Å1.10Å
CAEH2sing1.09Å1.10Å
CADH3sing1.09Å1.10Å
CADH4sing1.09Å1.10Å
CACH5sing1.09Å1.10Å
CACH6sing1.09Å1.10Å
CABH7sing1.09Å1.10Å
CABH8sing1.09Å1.10Å
CAAH9sing1.09Å1.10Å
CAAH10sing1.09Å1.10Å
CAGH11sing1.09Å1.10Å
CAGH12sing1.09Å1.10Å
CAHH14sing1.09Å1.10Å
CAHH15sing1.09Å1.10Å
CAIH16sing1.09Å1.10Å
CAIH17sing1.09Å1.10Å
CALH18sing1.08Å1.08Å
CAMH19sing1.08Å1.08Å
CAPH20sing1.08Å1.08Å
CAOH21sing1.08Å1.08Å
CAQH22sing1.09Å1.10Å
CAQH23sing1.09Å1.10Å
CBDH24sing1.08Å1.08Å
CBEH25sing1.08Å1.08Å
OBIH26sing0.97Å0.95Å
CBGH27sing1.08Å1.08Å
CBHH28sing1.09Å1.10Å
CBHH29sing1.09Å1.10Å
CBHH30sing1.09Å1.10Å
CAXH31sing1.08Å1.08Å
CAYH32sing1.08Å1.08Å
OBCH33sing0.97Å0.95Å
CBAH34sing1.08Å1.08Å
CBBH35sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CACCABCAA113.1°112.0°
CABCACCAD112.0°112.6°
CABCACH5108.8°108.9°
CABCACH6108.8°108.8°
CACCABH7108.5°108.9°
CACCABH8108.6°109.0°
CABCAACAG112.5°111.6°
CAACABH7108.6°109.0°
CAACABH8108.5°109.0°
CABCAAH9108.7°109.0°
CABCAAH10108.7°109.1°
CACCADCAE111.5°109.0°
CACCADH3109.0°109.5°
CACCADH4109.0°109.6°
CADCACH5108.8°108.9°
CADCACH6108.9°108.9°
CAACAGNAF114.7°108.1°
CAGCAAH9108.7°109.0°
CAGCAAH10108.7°109.0°
CAACAGH11108.2°109.8°
CAACAGH12108.1°109.7°
CADCAENAF114.0°111.8°
CADCAEH1108.3°109.1°
CADCAEH2108.3°109.0°
CAECADH3109.0°109.6°
CAECADH4108.9°109.5°
CAGNAFCAE113.5°114.7°
CAGNAFCAH106.7°111.0°
NAFCAGH11108.1°109.7°
NAFCAGH12108.1°109.8°
CAENAFCAH108.1°111.0°
NAFCAEH1108.3°109.0°
NAFCAEH2108.4°109.0°
NAFCAHCAI110.2°109.4°
NAFCAHH14109.3°109.4°
NAFCAHH15109.3°109.5°
OBICBFCBG118.4°119.9°
OBICBFCBE121.4°119.8°
CBFOBIH26109.5°114.1°
CAHCAIOAJ106.4°109.5°
CAICAHH14109.3°109.5°
CAICAHH15109.3°109.5°
CAHCAIH16110.2°109.4°
CAHCAIH17110.2°109.5°
CBGCBFCBE120.3°120.3°
CBFCBGCAT118.6°119.6°
CBFCBGH27120.7°120.1°
CBFCBECBD118.4°120.6°
CBFCBEH25120.8°119.7°
CAIOAJCAK114.3°117.0°
OAJCAIH16110.2°109.5°
OAJCAIH17110.2°109.5°
OAJCAKCAP120.0°120.0°
OAJCAKCAL119.8°120.1°
CBGCATCAU130.1°133.7°
CBGCATCAS122.6°120.0°
CATCBGH27120.7°120.3°
CAKCAPCAO119.9°119.9°
CAPCAKCAL120.1°119.9°
CAKCAPH20120.0°120.0°
CAPCAOCAN119.4°120.0°
CAOCAPH20120.0°120.1°
CAPCAOH21120.3°120.0°
CBECBDCAS119.8°120.0°
CBECBDH24120.1°120.0°
CBDCBEH25120.8°119.7°
CAKCALCAM119.2°119.9°
CAKCALH18120.4°120.0°
CAUCATCAS107.3°106.4°
CATCAUCBH121.4°126.5°
CATCAUCAV109.2°107.0°
CATCASCBD120.4°119.5°
CATCASNAR107.7°107.4°
CAOCANCAM119.4°120.1°
CAOCANCAQ123.2°119.9°
CANCAOH21120.3°120.0°
CBHCAUCAV129.5°126.5°
CAUCBHH28109.5°109.4°
CAUCBHH29109.4°109.5°
CAUCBHH30109.5°109.4°
CBDCASNAR132.0°133.1°
CASCBDH24120.1°120.0°
CAUCAVNAR108.4°109.6°
CAUCAVCAW130.7°125.2°
CASNARCAV107.5°109.8°
CASNARCAQ127.1°125.1°
CALCAMCAN121.9°120.1°
CAMCALH18120.4°120.0°
CALCAMH19119.1°119.9°
NARCAVCAW120.8°125.2°
CAVNARCAQ125.5°125.1°
CAVCAWCBB118.0°120.1°
CAVCAWCAX122.4°120.1°
CAMCANCAQ117.4°120.0°
CANCAMH19119.0°120.0°
CANCAQNAR110.0°109.5°
CANCAQH22109.3°109.5°
CANCAQH23109.3°109.5°
NARCAQH22109.3°109.4°
NARCAQH23109.3°109.5°
CAWCBBCBA121.4°119.9°
CBBCAWCAX119.5°119.8°
CAWCBBH35119.3°120.1°
CBBCBACAZ118.9°120.1°
CBBCBAH34120.6°120.0°
CBACBBH35119.3°120.0°
CAWCAXCAY119.4°119.9°
CAWCAXH31120.3°120.1°
CBACAZOBC116.8°119.9°
CBACAZCAY121.4°120.2°
CAZCBAH34120.6°120.0°
CAXCAYCAZ119.4°120.1°
CAYCAXH31120.3°120.0°
CAXCAYH32120.3°119.9°
OBCCAZCAY121.8°119.9°
CAZOBCH33109.5°114.0°
CAZCAYH32120.3°120.0°
H1CAEH2109.5°109.0°
H3CADH4109.5°109.6°
H5CACH6109.5°108.8°
H7CABH8109.5°108.9°
H9CAAH10109.5°109.0°
H11CAGH12109.5°109.8°
H14CAHH15109.5°109.5°
H16CAIH17109.5°109.4°
H22CAQH23109.5°109.5°
H28CBHH29109.5°109.5°
H28CBHH30109.5°109.5°
H29CBHH30109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CACCABCAAH7120.5°120.6°
CACCABCAAH8120.6°120.7°
CABCACCADH5120.4°120.9°
CABCACCADH6120.4°120.7°
CACCABCAACAG52.0°41.0°
CABCACCADCAE25.8°93.0°
CABCACCADH394.6°26.9°
CABCACCADH4146.1°147.1°
CABCACH5H6118.8°118.4°
CACCABH7H8118.3°118.8°
CACCABCAAH9172.4°79.5°
CACCABCAAH1068.5°161.5°
CAACABCACCAD62.2°41.5°
CABCAACAGH9120.5°120.5°
CABCAACAGH10120.4°120.6°
CABCAACAGNAF42.2°95.1°
CAACABCACH558.1°162.4°
CAACABCACH6177.4°79.3°
CAACABH7H8118.3°118.8°
CABCAAH9H10118.6°119.0°
CABCAACAGH11162.9°145.3°
CABCAACAGH1278.6°24.6°
CACCADCAEH3120.3°119.8°
CACCADCAEH4120.3°119.9°
CACCADCAENAF83.9°77.4°
CACCADCAEH1155.4°43.2°
CACCADCAEH236.8°162.1°
CACCADH3H4119.1°120.2°
CADCACH5H6118.9°118.5°
CADCACCABH758.3°79.1°
CADCACCABH8177.2°162.2°
CAACAGNAFH11120.8°119.7°
CAACAGNAFH12120.7°119.6°
CAACAGNAFCAE66.7°82.8°
CAACAGNAFCAH174.4°150.3°
CAGCAACABH768.5°161.6°
CAGCAACABH8172.5°79.7°
CAGCAAH9H10118.6°118.9°
CAACAGH11H12117.6°120.7°
CADCAENAFCAG17.9°62.3°
CADCAENAFH1120.7°120.6°
CADCAENAFH2120.7°120.5°
CADCAENAFCAH100.2°170.9°
CADCAEH1H2117.9°118.9°
CAECADH3H4119.0°120.2°
CAECADCACH5146.1°146.1°
CAECADCACH694.6°27.7°
CAGNAFCAECAH118.1°126.9°
CAGNAFCAHCAI121.5°155.3°
CAGNAFCAEH1138.6°58.3°
CAGNAFCAEH2102.8°177.2°
NAFCAGCAAH978.3°25.5°
NAFCAGCAAH10162.6°144.4°
NAFCAGH11H12117.6°120.7°
CAGNAFCAHH141.5°35.3°
CAGNAFCAHH15118.3°84.7°
CAENAFCAHCAI116.1°75.9°
NAFCAEH1H2118.0°118.9°
NAFCAECADH336.4°42.5°
NAFCAECADH4155.8°162.7°
CAENAFCAGH11172.6°157.5°
CAENAFCAGH1254.1°36.8°
CAENAFCAHH14123.8°164.1°
CAENAFCAHH154.0°44.1°
NAFCAHCAIH14120.1°120.0°
NAFCAHCAIH15120.1°120.0°
NAFCAHCAIOAJ38.1°63.8°
CAHNAFCAEH120.5°68.5°
CAHNAFCAEH2139.1°50.4°
CAHNAFCAGH1153.7°30.7°
CAHNAFCAGH1264.8°90.0°
NAFCAHH14H15119.7°120.0°
NAFCAHCAIH16157.7°176.2°
NAFCAHCAIH1781.3°56.2°
OBICBFCBGCBE180.0°180.0°
OBICBFCBGCAT179.9°180.0°
OBICBFCBECBD179.2°180.0°
OBICBFCBEH250.8°0.0°
OBICBFCBGH270.1°0.0°
CAHCAIOAJH16119.5°120.0°
CAHCAIOAJH17119.5°120.0°
CAHCAIOAJCAK120.9°180.0°
CAICAHH14H15119.7°120.1°
CAHCAIH16H17121.4°120.0°
CBFCBGCATH27180.0°179.9°
CBGCBFCBECBD0.8°0.1°
CBFCBGCATCAU179.2°179.9°
CBFCBGCATCAS0.6°0.0°
CBGCBFCBEH25179.2°180.0°
CBGCBFOBIH26180.0°90.0°
CBECBFCBGCAT0.1°0.1°
CBFCBECBDH25180.0°179.9°
CBFCBECBDCAS0.9°0.1°
CBFCBECBDH24179.1°179.9°
CBECBFOBIH260.0°90.0°
CBECBFCBGH27179.9°180.0°
CAIOAJCAKCAP178.5°0.3°
CAIOAJCAKCAL1.2°180.0°
OAJCAICAHH1481.9°56.2°
OAJCAICAHH15158.2°176.2°
OAJCAIH16H17121.4°120.0°
OAJCAKCAPCAL179.6°179.6°
OAJCAKCAPCAO178.4°179.9°
OAJCAKCALCAM179.7°180.0°
CAKOAJCAIH161.4°60.0°
CAKOAJCAIH17119.6°60.0°
OAJCAKCALH180.3°0.1°
OAJCAKCAPH201.5°0.1°
CBGCATCAUCAS178.7°179.9°
CBGCATCAUCBH0.9°0.1°
CBGCATCASCBD0.5°0.0°
CBGCATCAUCAV178.9°179.7°
CBGCATCASNAR179.7°179.9°
CAKCAPCAOH20180.0°180.0°
CAKCAPCAOCAN1.7°0.0°
CAPCAKCALCAM0.7°0.3°
CAPCAKCALH18179.3°179.7°
CAKCAPCAOH21178.4°179.9°
CAOCAPCAKCAL1.9°0.3°
CAPCAOCANH21180.0°179.9°
CAPCAOCANCAM0.2°0.3°
CAPCAOCANCAQ177.8°180.0°
CBECBDCASCAT0.2°0.0°
CBECBDCASH24180.0°180.0°
CBECBDCASNAR179.5°179.9°
CAKCALCAMH18180.0°179.9°
CAKCALCAMCAN0.8°0.1°
CAKCALCAMH19179.2°180.0°
CALCAKCAPH20178.1°179.7°
CATCAUCBHCAV179.8°179.8°
CAUCATCASCBD179.4°179.9°
CAUCATCASNAR0.8°0.0°
CATCAUCAVNAR0.5°0.4°
CATCAUCAVCAW178.6°180.0°
CAUCATCBGH270.9°0.1°
CATCAUCBHH2889.9°90.0°
CATCAUCBHH29150.1°150.0°
CATCAUCBHH3030.1°30.0°
CASCATCAUCBH179.6°180.0°
CATCASCBDNAR179.7°179.9°
CASCATCAUCAV0.2°0.2°
CATCASNARCAV1.2°0.2°
CATCASNARCAQ179.3°180.0°
CATCASCBDH24179.8°180.0°
CASCATCBGH27179.4°180.0°
CAOCANCAMCAL1.1°0.2°
CAOCANCAMCAQ178.1°179.8°
CAOCANCAQNAR16.7°90.0°
CAOCANCAMH19178.9°179.7°
CANCAOCAPH20178.4°180.0°
CAOCANCAQH22136.7°150.0°
CAOCANCAQH23103.4°30.0°
CBHCAUCAVNAR179.7°179.8°
CBHCAUCAVCAW1.6°0.2°
CAUCBHH28H29120.0°120.0°
CAUCBHH28H30120.0°119.9°
CAUCBHH29H30120.0°120.0°
CBDCASNARCAV179.1°179.7°
CBDCASNARCAQ0.5°0.0°
CASCBDCBEH25179.1°180.0°
CAUCAVNARCAS1.0°0.4°
CAUCAVNARCAW178.3°179.6°
CAUCAVNARCAQ179.4°179.9°
CAUCAVCAWCBB100.4°134.7°
CAUCAVCAWCAX82.0°45.0°
CAVCAUCBHH2889.9°89.8°
CAVCAUCBHH2930.1°30.3°
CAVCAUCBHH30150.1°150.3°
CASNARCAVCAQ179.6°179.7°
CASNARCAVCAW179.4°180.0°
CASNARCAQCAN85.6°90.0°
CASNARCAQH2234.5°30.0°
CASNARCAQH23154.4°150.0°
NARCASCBDH240.5°0.1°
CALCAMCANH19180.0°180.0°
CALCAMCANCAQ179.2°180.0°
CAVNARCAQCAN94.9°90.3°
NARCAVCAWCBB77.5°45.7°
NARCAVCAWCAX100.1°134.6°
CAVNARCAQH22145.0°149.7°
CAVNARCAQH2325.1°29.7°
CAWCAVNARCAQ1.1°0.3°
CAVCAWCBBCAX177.6°179.7°
CAVCAWCBBCBA177.5°179.8°
CAVCAWCAXCAY178.1°180.0°
CAVCAWCAXH311.9°0.1°
CAVCAWCBBH352.5°0.0°
CAMCANCAQNAR165.3°90.2°
CANCAMCALH18179.2°180.0°
CAMCANCAOH21179.8°179.8°
CAMCANCAQH2245.2°29.7°
CAMCANCAQH2374.6°149.8°
CANCAQNARH22120.1°120.0°
CANCAQNARH23120.1°120.0°
CAQCANCAMH190.8°0.0°
CAQCANCAOH212.1°0.0°
CANCAQH22H23119.7°120.1°
NARCAQH22H23119.8°120.0°
CAWCBBCBAH35180.0°179.8°
CAWCBBCBACAZ0.5°0.5°
CBBCAWCAXCAY0.6°0.3°
CBBCAWCAXH31179.4°179.8°
CAWCBBCBAH34179.5°179.8°
CBACBBCAWCAX0.1°0.5°
CBBCBACAZH34180.0°179.8°
CBBCBACAZOBC179.4°179.7°
CBBCBACAZCAY0.2°0.2°
CAWCAXCAYH31180.0°179.9°
CAWCAXCAYCAZ0.9°0.1°
CAWCAXCAYH32179.1°180.0°
CAXCAWCBBH35179.9°179.7°
CBACAZCAYCAX0.5°0.0°
CBACAZOBCCAY179.5°179.9°
CBACAZCAYH32179.5°180.0°
CBACAZOBCH33180.0°90.0°
CAZCBACBBH35179.5°179.7°
CAXCAYCAZOBC179.9°179.9°
CAXCAYCAZH32180.0°180.0°
OBCCAZCAYH320.1°0.0°
OBCCAZCBAH340.6°0.0°
CAZCAYCAXH31179.1°179.9°
CAYCAZOBCH330.5°90.0°
CAYCAZCBAH34179.8°180.0°
H1CAECADH384.2°163.0°
H1CAECADH435.1°76.7°
H2CAECADH3157.1°78.1°
H2CAECADH483.5°42.1°
H3CADCACH525.8°94.0°
H3CADCACH6145.1°147.6°
H4CADCACH593.6°26.2°
H4CADCACH625.7°92.2°
H5CACCABH7178.7°41.7°
H5CACCABH862.4°77.0°
H6CACCABH762.1°160.1°
H6CACCABH856.8°41.4°
H7CABCAAH951.9°41.1°
H7CABCAAH10171.0°77.9°
H8CABCAAH967.0°159.8°
H8CABCAAH1052.1°40.9°
H9CAACAGH1142.5°94.2°
H9CAACAGH12161.0°145.1°
H10CAACAGH1176.6°24.7°
H10CAACAGH1241.9°96.0°
H14CAHCAIH1637.6°63.8°
H14CAHCAIH17158.6°176.2°
H15CAHCAIH1682.2°56.2°
H15CAHCAIH1738.8°63.7°
H18CALCAMH190.8°0.1°
H20CAPCAOH211.6°0.1°
H24CBDCBEH250.9°0.0°
H28CBHH29H30120.0°120.0°
H31CAXCAYH320.9°0.1°
H34CBACBBH350.5°0.0°

223532

PDB entries from 2024-08-07

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