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811

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OBMCBKdoub1.21Å1.26Å
CBKOBLsing1.35Å1.26Å
CBKCBIsing1.48Å1.52Å
CBHCBIdoub1.40Å1.41ÅAromatic
CBHCBGsing1.38Å1.39ÅAromatic
CBICBJsing1.40Å1.41ÅAromatic
CBGNBFdoub1.32Å1.33ÅAromatic
CBJCBEdoub1.39Å1.39ÅAromatic
NBFCBEsing1.32Å1.32ÅAromatic
CBENBBsing1.39Å1.44Å
CBCNBBsing1.48Å1.47Å
CBCCAZsing1.54Å1.46Å
NBBCBAsing1.47Å1.47Å
OBDCAZsing1.43Å1.42Å
CAUCATdoub1.38Å1.39ÅAromatic
CAUCAVsing1.38Å1.39ÅAromatic
CAZCBAsing1.53Å1.46Å
CAZCADsing1.51Å1.51Å
CATCASsing1.38Å1.39ÅAromatic
CLGCACsing1.74Å1.75Å
CAVCAWdoub1.38Å1.39ÅAromatic
CADCACdoub1.38Å1.39ÅAromatic
CADCAEsing1.38Å1.39ÅAromatic
CACCABsing1.38Å1.39ÅAromatic
CASCLYsing1.74Å1.75Å
CASCARdoub1.39Å1.39ÅAromatic
CAECAFdoub1.38Å1.39ÅAromatic
CABCAAdoub1.39Å1.39ÅAromatic
CAWCARsing1.39Å1.39ÅAromatic
CAWCLXsing1.74Å1.74Å
CARCAKsing1.48Å1.52Å
CAFCAAsing1.39Å1.39ÅAromatic
CAAOAHsing1.36Å1.42Å
CAIOAHsing1.43Å1.42Å
CAICAJsing1.51Å1.54Å
CAKCAJsing1.42Å1.45ÅAromatic
CAKNALdoub1.31Å1.33ÅAromatic
CAJCANdoub1.35Å1.43ÅAromatic
NALOAMsing1.21Å1.32ÅAromatic
CANOAMsing1.34Å1.33ÅAromatic
CANCAOsing1.51Å1.52Å
CAOCAQsing1.53Å1.39Å
CAOCAPsing1.53Å1.39Å
CAQCAPsing1.53Å1.39Å
OBLH1sing0.97Å0.95Å
CBJH2sing1.08Å1.08Å
CBHH3sing1.08Å1.08Å
CBGH4sing1.08Å1.08Å
CBCH5sing1.09Å1.10Å
CBCH6sing1.09Å1.10Å
CBAH7sing1.09Å1.10Å
CBAH8sing1.09Å1.10Å
OBDH9sing0.97Å0.95Å
CABH10sing1.08Å1.08Å
CAEH11sing1.08Å1.08Å
CAFH12sing1.08Å1.08Å
CAIH13sing1.09Å1.10Å
CAIH14sing1.09Å1.10Å
CAOH15sing1.09Å1.10Å
CAPH16sing1.09Å1.10Å
CAPH17sing1.09Å1.10Å
CAQH18sing1.09Å1.10Å
CAQH19sing1.09Å1.10Å
CATH20sing1.08Å1.08Å
CAUH21sing1.08Å1.08Å
CAVH22sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OBMCBKOBL120.0°119.9°
OBMCBKCBI120.0°120.0°
OBLCBKCBI119.9°120.0°
CBKOBLH1109.5°117.1°
CBKCBICBH121.4°120.9°
CBKCBICBJ121.3°120.9°
CBICBHCBG119.0°119.2°
CBHCBICBJ117.3°118.2°
CBICBHH3120.5°120.4°
CBHCBGNBF121.9°121.0°
CBGCBHH3120.5°120.4°
CBHCBGH4119.0°119.5°
CBICBJCBE119.6°118.9°
CBICBJH2120.2°120.5°
CBGNBFCBE121.1°121.9°
NBFCBGH4119.1°119.5°
CBJCBENBF121.2°120.7°
CBJCBENBB119.4°119.6°
CBECBJH2120.2°120.6°
NBFCBENBB119.5°119.6°
CBENBBCBC109.8°111.0°
CBENBBCBA109.3°111.0°
NBBCBCCAZ89.8°87.9°
CBCNBBCBA89.6°87.8°
NBBCBCH5114.1°113.5°
NBBCBCH6114.1°113.5°
CBCCAZOBD112.8°114.2°
CBCCAZCBA89.9°83.6°
CBCCAZCAD113.1°114.2°
CAZCBCH5114.1°113.5°
CAZCBCH6114.1°113.5°
NBBCBACAZ89.8°88.0°
NBBCBAH7114.1°113.5°
NBBCBAH8114.1°113.5°
OBDCAZCBA112.7°114.2°
OBDCAZCAD113.6°113.4°
CAZOBDH9109.5°114.1°
CATCAUCAV120.1°120.2°
CAUCATCAS120.0°120.2°
CAUCATH20120.0°119.9°
CATCAUH21120.0°119.9°
CAUCAVCAW120.0°120.1°
CAVCAUH21120.0°119.9°
CAUCAVH22120.0°119.9°
CBACAZCAD112.7°114.2°
CAZCBAH7114.1°113.4°
CAZCBAH8114.1°113.5°
CAZCADCAC120.0°120.0°
CAZCADCAE120.1°119.9°
CATCASCLY120.0°120.1°
CATCASCAR120.0°119.8°
CASCATH20120.0°119.9°
CLGCACCAD120.0°120.0°
CLGCACCAB119.9°119.9°
CAVCAWCAR120.0°119.8°
CAVCAWCLX120.1°120.1°
CAWCAVH22120.0°119.9°
CACCADCAE119.9°120.1°
CADCACCAB120.1°120.1°
CADCAECAF120.0°120.1°
CADCAEH11120.0°120.0°
CACCABCAA120.0°119.9°
CACCABH10120.0°120.1°
CLYCASCAR120.0°120.1°
CASCARCAW120.0°119.8°
CASCARCAK119.9°120.1°
CAECAFCAA120.1°119.9°
CAFCAEH11120.0°119.9°
CAECAFH12120.0°120.0°
CABCAACAF120.0°119.9°
CABCAAOAH120.0°120.1°
CAACABH10120.0°120.0°
CARCAWCLX120.0°120.1°
CAWCARCAK120.1°120.1°
CARCAKCAJ126.5°126.9°
CARCAKNAL126.7°127.0°
CAFCAAOAH120.0°120.0°
CAACAFH12120.0°120.0°
CAAOAHCAI114.0°117.0°
OAHCAICAJ108.3°109.5°
OAHCAIH13109.7°109.5°
OAHCAIH14109.8°109.5°
CAICAJCAK128.1°128.0°
CAICAJCAN128.2°128.0°
CAJCAIH13109.8°109.5°
CAJCAIH14109.7°109.4°
CAJCAKNAL106.7°106.1°
CAKCAJCAN103.7°104.0°
CAKNALOAM111.3°111.4°
CAJCANOAM107.7°106.7°
CAJCANCAO126.2°126.7°
NALOAMCAN110.5°111.9°
OAMCANCAO126.1°126.7°
CANCAOCAQ150.0°117.5°
CANCAOCAP150.0°117.5°
CANCAOH1590.0°115.6°
CAQCAOCAP60.0°60.0°
CAOCAQCAP60.0°60.0°
CAQCAOH1590.0°117.5°
CAOCAQH18120.0°117.5°
CAOCAQH19120.0°117.5°
CAOCAPCAQ60.0°60.0°
CAPCAOH1590.0°117.5°
CAOCAPH16120.0°117.5°
CAOCAPH17120.0°117.5°
CAQCAPH16120.0°117.5°
CAQCAPH17120.0°117.5°
CAPCAQH18120.0°117.5°
CAPCAQH19120.0°117.5°
H5CBCH6109.5°112.8°
H7CBAH8109.5°112.7°
H13CAIH14109.5°109.4°
H16CAPH17109.5°115.5°
H18CAQH19109.5°115.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OBMCBKOBLCBI180.0°180.0°
OBMCBKCBICBH121.9°179.7°
OBMCBKCBICBJ58.0°0.0°
OBMCBKOBLH10.0°0.0°
OBLCBKCBICBH58.0°0.2°
OBLCBKCBICBJ122.0°180.0°
CBKCBICBHCBJ180.0°179.8°
CBKCBICBHCBG180.0°180.0°
CBKCBICBJCBE179.9°180.0°
CBICBKOBLH1180.0°180.0°
CBKCBICBJH20.1°0.0°
CBKCBICBHH30.0°0.0°
CBICBHCBGH3180.0°180.0°
CBICBHCBGNBF0.0°0.0°
CBHCBICBJCBE0.0°0.2°
CBHCBICBJH2180.0°179.8°
CBICBHCBGH4180.0°179.9°
CBGCBHCBICBJ0.1°0.2°
CBHCBGNBFH4180.0°180.0°
CBHCBGNBFCBE0.1°0.3°
CBICBJCBEH2180.0°180.0°
CBICBJCBENBF0.1°0.0°
CBICBJCBENBB179.9°180.0°
CBJCBICBHH3179.9°179.7°
CBGNBFCBECBJ0.1°0.2°
CBGNBFCBENBB180.0°179.7°
NBFCBGCBHH3179.9°180.0°
CBJCBENBFNBB179.8°180.0°
CBJCBENBBCBC122.8°84.1°
CBJCBENBBCBA140.4°180.0°
NBFCBENBBCBC57.3°96.0°
NBFCBENBBCBA39.5°0.0°
NBFCBECBJH2179.9°180.0°
CBENBFCBGH4179.9°179.7°
CBENBBCBCCBA110.4°111.7°
CBENBBCBCCAZ117.6°138.7°
CBENBBCBACAZ118.1°138.7°
NBBCBECBJH20.0°0.0°
CBENBBCBCH51.1°24.0°
CBENBBCBCH6125.9°106.5°
CBENBBCBAH7125.4°106.6°
CBENBBCBAH81.6°23.8°
NBBCBCCAZH5116.5°114.7°
NBBCBCCAZH6116.5°114.7°
NBBCBCCAZOBD121.9°139.7°
NBBCBCCAZCBA7.2°26.0°
NBBCBCCAZCAD107.5°87.7°
NBBCBCH5H6129.3°130.8°
CBCNBBCBAH7123.7°141.8°
CBCNBBCBAH8109.3°87.8°
CBCCAZOBDCBA99.9°93.8°
CBCCAZOBDCAD130.4°133.1°
CBCCAZCBACAD115.1°113.7°
CBCCAZCADCAC112.3°61.4°
CBCCAZCADCAE67.8°118.3°
CAZCBCH5H6129.3°130.8°
CBCCAZCBAH7123.7°140.8°
CBCCAZCBAH8109.3°88.8°
CBCCAZOBDH9180.0°180.0°
NBBCBACAZOBD122.0°139.7°
NBBCBACAZH7116.5°114.8°
NBBCBACAZH8116.6°114.8°
NBBCBACAZCAD107.9°87.6°
CBANBBCBCH5109.3°87.7°
CBANBBCBCH6123.7°141.8°
NBBCBAH7H8129.3°130.8°
OBDCAZCBACAD130.2°132.7°
OBDCAZCADCAC17.9°71.6°
OBDCAZCADCAE162.0°108.7°
OBDCAZCBCH55.4°24.9°
OBDCAZCBCH6121.6°105.6°
OBDCAZCBAH7121.5°105.6°
OBDCAZCBAH85.4°24.9°
CATCAUCAVH21180.0°180.0°
CAUCATCASH20180.0°180.0°
CATCAUCAVCAW0.1°0.2°
CAUCATCASCLY180.0°180.0°
CAUCATCASCAR0.1°0.0°
CATCAUCAVH22179.9°180.0°
CAVCAUCATCAS0.1°0.0°
CAUCAVCAWH22180.0°179.7°
CAUCAVCAWCAR0.0°0.5°
CAUCAVCAWCLX180.0°180.0°
CAVCAUCATH20179.9°180.0°
CBACAZCADCAC147.6°155.3°
CBACAZCADCAE32.3°24.4°
CBACAZCBCH5109.3°88.7°
CBACAZCBCH6123.8°140.8°
CAZCBAH7H8129.3°130.8°
CBACAZOBDH980.0°86.2°
CAZCADCACCLG0.0°0.0°
CAZCADCACCAE179.9°179.7°
CAZCADCACCAB179.9°180.0°
CAZCADCAECAF180.0°180.0°
CADCAZCBCH5136.0°157.6°
CADCAZCBCH69.1°27.1°
CADCAZCBAH78.7°27.1°
CADCAZCBAH8135.6°157.6°
CADCAZOBDH949.6°46.9°
CAZCADCAEH110.0°0.0°
CATCASCLYCAR179.9°180.0°
CATCASCARCAW0.1°0.2°
CATCASCARCAK180.0°180.0°
CASCATCAUH21179.9°180.0°
CLGCACCADCAB180.0°179.9°
CLGCACCADCAE180.0°179.7°
CLGCACCABCAA180.0°180.0°
CLGCACCABH100.0°0.1°
CAVCAWCARCAS0.1°0.5°
CAVCAWCARCLX180.0°179.5°
CAVCAWCARCAK180.0°179.8°
CAWCAVCAUH21179.9°179.8°
CACCADCAECAF0.0°0.3°
CADCACCABCAA0.0°0.1°
CADCACCABH10180.0°180.0°
CACCADCAEH11180.0°179.7°
CAECADCACCAB0.0°0.3°
CADCAECAFH11180.0°180.0°
CADCAECAFCAA0.0°0.0°
CADCAECAFH12179.9°180.0°
CACCABCAAH10180.0°179.9°
CACCABCAACAF0.0°0.3°
CACCABCAAOAH180.0°179.9°
CLYCASCARCAW180.0°179.8°
CLYCASCARCAK0.1°0.0°
CLYCASCATH200.0°0.0°
CASCARCAWCAK179.9°179.7°
CASCARCAWCLX180.0°180.0°
CASCARCAKCAJ67.6°120.7°
CASCARCAKNAL112.4°59.2°
CARCASCATH20179.9°180.0°
CAECAFCAACABNaN°0.3°
CAECAFCAAH12180.0°180.0°
CAECAFCAAOAH180.0°180.0°
CABCAACAFOAH180.0°179.7°
CABCAAOAHCAI35.3°180.0°
CABCAACAFH12180.0°179.7°
CAWCARCAKCAJ112.3°59.6°
CAWCARCAKNAL67.7°120.6°
CARCAWCAVH22180.0°179.8°
CLXCAWCARCAK0.0°0.3°
CLXCAWCAVH220.0°0.3°
CARCAKCAJCAI0.0°0.0°
CARCAKCAJNAL180.0°179.8°
CARCAKCAJCAN180.0°179.8°
CARCAKNALOAM180.0°179.7°
CAFCAAOAHCAI144.7°0.3°
CAFCAACABH10180.0°179.7°
CAACAFCAEH11180.0°180.0°
CAAOAHCAICAJ114.5°180.0°
OAHCAACABH100.0°0.0°
OAHCAACAFH120.1°0.0°
CAAOAHCAIH135.4°60.0°
CAAOAHCAIH14125.7°60.0°
OAHCAICAJH13119.8°120.1°
OAHCAICAJH14119.8°120.0°
OAHCAICAJCAK124.9°88.3°
OAHCAICAJCAN55.1°91.9°
OAHCAIH13H14120.6°120.0°
CAICAJCAKCAN180.0°179.8°
CAICAJCAKNAL180.0°179.9°
CAICAJCANOAM180.0°180.0°
CAICAJCANCAO0.0°0.1°
CAJCAIH13H14120.5°120.0°
CAJCAKNALOAM0.0°0.4°
CAKCAJCANOAM0.0°0.2°
CAKCAJCANCAO180.0°179.7°
CAKCAJCAIH135.1°151.6°
CAKCAJCAIH14115.3°31.7°
NALCAKCAJCAN0.0°0.4°
CAKNALOAMCAN0.0°0.3°
CAJCANOAMNAL0.0°0.0°
CAJCANOAMCAO180.0°179.9°
CAJCANCAOCAQ72.0°120.0°
CAJCANCAOCAP108.0°171.3°
CANCAJCAIH13174.9°28.1°
CANCAJCAIH1464.7°148.0°
CAJCANCAOH1518.0°25.6°
NALOAMCANCAO180.0°180.0°
OAMCANCAOCAQ107.9°60.1°
OAMCANCAOCAP72.0°8.6°
OAMCANCAOH15162.1°154.3°
CANCAOCAQCAP180.0°107.5°
CANCAOCAQH1590.0°145.0°
CANCAOCAPH1590.0°145.0°
CANCAOCAPH1670.5°145.0°
CANCAOCAPH1770.5°0.0°
CANCAOCAQH1870.5°0.1°
CANCAOCAQH1970.5°145.0°
CAQCAOCAPH1590.0°107.5°
CAOCAQCAPH18109.5°107.5°
CAOCAQCAPH19109.5°107.5°
CAQCAOCAPH16109.5°107.5°
CAQCAOCAPH17109.4°107.5°
CAOCAQH18H19144.7°145.7°
CAOCAPH16H17144.7°145.7°
CAQCAPH16H17144.8°145.7°
CAPCAQH18H19144.7°145.7°
H3CBHCBGH40.1°0.0°
H11CAECAFH120.1°0.0°
H15CAOCAPH1619.5°0.0°
H15CAOCAPH17160.6°145.0°
H15CAOCAQH18160.5°145.1°
H15CAOCAQH1919.4°0.0°
H16CAPCAQH18141.1°145.0°
H16CAPCAQH190.1°0.0°
H17CAPCAQH180.0°0.0°
H17CAPCAQH19141.0°145.0°
H20CATCAUH210.1°0.0°
H21CAUCAVH220.1°0.1°

248335

PDB entries from 2026-01-28

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