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I2O

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAACABdoub1.38Å1.42ÅAromatic
CAACAFsing1.38Å1.40ÅAromatic
CABCACsing1.39Å1.41ÅAromatic
CABCAGsing1.51Å1.55Å
CACCADdoub1.39Å1.42ÅAromatic
CACCANsing1.48Å1.44ÅAromatic
CADCAEsing1.39Å1.42ÅAromatic
CAECAFdoub1.40Å1.43ÅAromatic
CAECAHsing1.48Å1.56Å
CAHNAIsing1.35Å1.34Å
CAHOAMdoub1.22Å1.22Å
NAICAJsing1.47Å1.45Å
CAJCAKsing1.53Å1.54Å
CAJCALsing1.53Å1.55Å
CAKCALsing1.53Å1.53Å
CANCAOdoub1.39Å1.39ÅAromatic
CANCASsing1.39Å1.41ÅAromatic
CAOCAPsing1.39Å1.39ÅAromatic
CAPCAQdoub1.39Å1.39ÅAromatic
CAPNATsing1.40Å1.34Å
CAQCARsing1.38Å1.43ÅAromatic
CAQCAVsing1.50Å1.57Å
CARCASdoub1.38Å1.41ÅAromatic
NATCAUsing1.35Å1.35Å
CAUCAVsing1.51Å1.51Å
CAUOAWdoub1.21Å1.22Å
CAVCAXsing1.53Å1.55Å
CAVCBAsing1.54Å1.57Å
CAXCAYsing1.55Å1.54Å
CAYCAZsing1.55Å1.51Å
CAZCBAsing1.55Å1.54Å
CAAHAAsing1.08Å1.08Å
CADHADsing1.08Å1.08Å
CAFHAFsing1.08Å1.08Å
CAGHAGsing1.09Å1.10Å
CAGHAGAsing1.09Å1.10Å
CAGHAGBsing1.09Å1.10Å
NAIHNAIsing0.97Å1.00Å
CAJHAJsing1.09Å1.10Å
CAKHAKsing1.09Å1.10Å
CAKHAKAsing1.09Å1.10Å
CALHALsing1.09Å1.10Å
CALHALAsing1.09Å1.10Å
CAOHAOsing1.08Å1.08Å
CARHARsing1.08Å1.08Å
CASHASsing1.08Å1.08Å
NATHNATsing0.97Å1.00Å
CAXHAXsing1.09Å1.10Å
CAXHAXAsing1.09Å1.10Å
CAYHAYsing1.09Å1.10Å
CAYHAYAsing1.09Å1.10Å
CAZHAZsing1.09Å1.10Å
CAZHAZAsing1.09Å1.10Å
CBAHBAsing1.09Å1.10Å
CBAHBAAsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CABCAACAF120.8°120.3°
CAACABCAC119.8°120.2°
CAACABCAG120.0°119.9°
CABCAAHAA119.6°119.9°
CAACAFCAE120.9°120.1°
CAFCAAHAA119.6°119.8°
CAACAFHAF119.5°120.0°
CACCABCAG120.2°119.9°
CABCACCAD118.3°119.9°
CABCACCAN123.8°120.1°
CABCAGHAG109.5°109.5°
CABCAGHAGA109.4°109.5°
CABCAGHAGB109.5°109.5°
CADCACCAN117.8°120.0°
CACCADCAE123.2°119.7°
CACCADHAD118.4°120.2°
CACCANCAO117.1°119.9°
CACCANCAS125.0°120.0°
CADCAECAF116.9°119.9°
CADCAECAH120.3°120.1°
CAECADHAD118.4°120.1°
CAFCAECAH122.5°120.1°
CAECAFHAF119.6°120.0°
CAECAHNAI120.6°120.0°
CAECAHOAM120.3°120.0°
NAICAHOAM118.8°120.0°
CAHNAICAJ118.1°120.0°
CAHNAIHNAI120.9°120.0°
NAICAJCAK114.0°117.5°
NAICAJCAL117.1°117.5°
CAJNAIHNAI120.9°120.1°
NAICAJHAJ95.2°115.6°
CAKCAJCAL59.3°60.0°
CAJCAKCAL60.8°60.0°
CAKCAJHAJ136.7°117.5°
CAJCAKHAK130.4°117.5°
CAJCAKHAKA130.5°117.5°
CAJCALCAK59.9°60.0°
CALCAJHAJ134.1°117.6°
CAJCALHAL131.0°117.5°
CAJCALHALA131.0°117.5°
CALCAKHAK130.4°117.5°
CALCAKHAKA130.4°117.5°
CAKCALHAL131.0°117.5°
CAKCALHALA131.0°117.5°
CAOCANCAS117.8°120.1°
CANCAOCAP123.6°120.1°
CANCAOHAO118.2°120.0°
CANCASCAR120.2°119.7°
CANCASHAS119.9°120.2°
CAOCAPCAQ119.1°119.0°
CAOCAPNAT128.4°130.7°
CAPCAOHAO118.2°119.9°
CAQCAPNAT112.5°110.2°
CAPCAQCAR119.5°120.9°
CAPCAQCAV106.0°105.9°
CAPNATCAU110.6°112.2°
CAPNATHNAT124.7°123.9°
CARCAQCAV134.5°133.3°
CAQCARCAS119.7°120.2°
CAQCARHAR120.1°119.9°
CAQCAVCAU99.7°104.9°
CAQCAVCAX116.6°111.3°
CAQCAVCBA112.7°111.1°
CASCARHAR120.1°119.9°
CARCASHAS119.9°120.1°
NATCAUCAV111.1°106.8°
NATCAUOAW125.4°126.6°
CAUNATHNAT124.7°123.9°
CAVCAUOAW123.5°126.6°
CAUCAVCAX113.2°111.2°
CAUCAVCBA108.3°111.0°
CAXCAVCBA106.2°107.4°
CAVCAXCAY101.8°106.3°
CAVCAXHAX112.1°110.1°
CAVCAXHAXA112.1°110.1°
CAVCBACAZ104.3°104.0°
CAVCBAHBA111.2°110.5°
CAVCBAHBAA111.2°110.5°
CAXCAYCAZ102.5°104.2°
CAYCAXHAX112.1°110.1°
CAYCAXHAXA112.1°110.0°
CAXCAYHAY111.9°110.5°
CAXCAYHAYA111.8°110.5°
CAYCAZCBA103.7°102.9°
CAZCAYHAY111.8°110.5°
CAZCAYHAYA111.9°110.5°
CAYCAZHAZ111.4°110.8°
CAYCAZHAZA111.5°110.8°
CBACAZHAZ111.5°110.8°
CBACAZHAZA111.5°110.7°
CAZCBAHBA111.3°110.5°
CAZCBAHBAA111.2°110.5°
HAGCAGHAGA109.5°109.5°
HAGCAGHAGB109.5°109.4°
HAGACAGHAGB109.5°109.5°
HAKCAKHAKA82.5°115.5°
HALCALHALA81.7°115.6°
HAXCAXHAXA106.7°110.2°
HAYCAYHAYA107.0°110.6°
HAZCAZHAZA107.4°110.7°
HBACBAHBAA107.7°110.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CABCAACAFHAA180.0°179.6°
CAACABCACCAG179.4°180.0°
CAACABCACCAD0.2°0.0°
CAACABCACCAN179.0°180.0°
CABCAACAFCAE1.4°0.0°
CABCAACAFHAF178.6°180.0°
CAACABCAGHAG89.7°95.4°
CAACABCAGHAGA150.3°144.6°
CAACABCAGHAGB30.3°24.6°
CAFCAACABCAC0.1°0.0°
CAFCAACABCAG179.3°180.0°
CAACAFCAECAD2.6°0.0°
CAACAFCAEHAF180.0°180.0°
CAACAFCAECAH177.3°180.0°
CABCACCADCAN178.9°180.0°
CABCACCADCAE1.6°0.0°
CABCACCANCAO73.8°56.1°
CABCACCANCAS110.1°124.2°
CACCABCAAHAA179.9°179.7°
CABCACCADHAD178.4°180.0°
CACCABCAGHAG89.7°84.7°
CACCABCAGHAGA30.3°35.3°
CACCABCAGHAGB150.3°155.4°
CAGCABCACCAD179.2°180.0°
CAGCABCACCAN0.4°0.0°
CAGCABCAAHAA0.7°0.4°
CABCAGHAGHAGA120.0°120.0°
CABCAGHAGHAGB120.0°120.0°
CABCAGHAGAHAGB120.0°120.0°
CACCADCAEHAD180.0°180.0°
CACCADCAECAF2.8°0.0°
CACCADCAECAH177.7°180.0°
CADCACCANCAO105.0°123.9°
CADCACCANCAS71.1°55.8°
CANCACCADCAE179.5°180.0°
CACCANCAOCAS176.3°179.8°
CACCANCAOCAP178.6°180.0°
CACCANCASCAR177.9°179.7°
CANCACCADHAD0.5°0.0°
CACCANCAOHAO1.4°0.0°
CACCANCASHAS2.0°0.0°
CADCAECAFCAH174.7°180.0°
CADCAECAHNAI154.8°180.0°
CADCAECAHOAM31.3°0.0°
CADCAECAFHAF177.3°180.0°
CAFCAECAHNAI30.6°0.1°
CAFCAECAHOAM143.2°180.0°
CAECAFCAAHAA178.7°179.6°
CAFCAECADHAD177.2°180.0°
CAECAHNAIOAM173.9°180.0°
CAECAHNAICAJ177.4°180.0°
CAHCAECADHAD2.3°0.0°
CAHCAECAFHAF2.6°0.1°
CAECAHNAIHNAI2.6°0.0°
CAHNAICAJHNAI180.0°180.0°
CAHNAICAJCAK65.5°155.0°
CAHNAICAJCAL131.9°136.4°
CAHNAICAJHAJ81.7°9.4°
OAMCAHNAICAJ3.5°0.0°
OAMCAHNAIHNAI176.5°180.0°
NAICAJCAKCAL108.3°107.4°
NAICAJCAKHAJ128.2°145.0°
NAICAJCALHAJ129.7°145.1°
NAICAJCAKHAK131.7°145.0°
NAICAJCAKHAKA11.6°0.0°
NAICAJCALHAL16.8°0.1°
NAICAJCALHALA136.8°145.1°
CAKCAJCALHAJ127.1°107.5°
CAJCAKCALHAK120.0°107.5°
CAJCAKCALHAKA120.0°107.5°
CAKCAJNAIHNAI114.5°25.0°
CAJCAKHAKHAKA138.3°145.7°
CAKCAJCALHAL120.0°107.5°
CAKCAJCALHALA120.0°107.5°
CALCAJNAIHNAI48.1°43.6°
CAJCALHALHALA138.6°145.7°
CALCAKHAKHAKA138.3°145.6°
CAKCALHALHALA138.6°145.7°
CANCAOCAPHAO180.0°180.0°
CANCAOCAPCAQ1.5°0.0°
CANCAOCAPNAT179.7°180.0°
CAOCANCASCAR1.9°0.5°
CAOCANCASHAS178.1°179.7°
CASCANCAOCAP2.3°0.3°
CANCASCARCAQ0.9°0.5°
CANCASCARHAS180.0°179.7°
CASCANCAOHAO177.7°179.7°
CANCASCARHAR179.1°179.8°
CAOCAPCAQNAT179.0°180.0°
CAOCAPCAQCAR0.3°0.1°
CAOCAPCAQCAV178.7°179.9°
CAOCAPNATCAU177.8°180.0°
CAOCAPNATHNAT2.2°0.1°
CAPCAQCARCAV178.6°180.0°
CAPCAQCARCAS0.0°0.2°
CAQCAPNATCAU1.2°0.0°
CAPCAQCAVCAU0.5°0.1°
CAPCAQCAVCAX121.8°120.3°
CAPCAQCAVCBA115.1°120.1°
CAQCAPCAOHAO178.5°180.0°
CAPCAQCARHAR180.0°179.9°
CAQCAPNATHNAT178.8°179.9°
NATCAPCAQCAR179.3°180.0°
NATCAPCAQCAV0.3°0.1°
CAPNATCAUHNAT180.0°179.9°
CAPNATCAUCAV1.5°0.0°
CAPNATCAUOAW176.6°179.9°
NATCAPCAOHAO0.3°0.0°
CAQCARCASHAR180.0°179.7°
CARCAQCAVCAU178.3°180.0°
CARCAQCAVCAX59.5°59.6°
CARCAQCAVCBA63.7°59.9°
CAQCARCASHAS179.1°179.7°
CAVCAQCARCAS178.6°179.8°
CAQCAVCAUNAT1.2°0.1°
CAQCAVCAUCAX124.6°120.4°
CAQCAVCAUCBA117.9°120.1°
CAQCAVCAUOAW177.0°179.9°
CAQCAVCAXCBA126.5°121.7°
CAQCAVCAXCAY153.1°122.0°
CAQCAVCBACAZ128.7°98.8°
CAVCAQCARHAR1.4°0.1°
CAQCAVCAXHAX33.1°2.7°
CAQCAVCAXHAXA86.8°118.9°
CAQCAVCBAHBA111.3°142.6°
CAQCAVCBAHBAA8.7°19.9°
NATCAUCAVOAW178.2°180.0°
NATCAUCAVCAX123.4°120.3°
NATCAUCAVCBA119.1°120.1°
CAUCAVCAXCBA118.7°121.6°
CAUCAVCAXCAY92.0°121.4°
CAUCAVCBACAZ122.0°144.9°
CAVCAUNATHNAT178.5°180.0°
CAUCAVCAXHAX148.0°119.3°
CAUCAVCAXHAXA28.0°2.3°
CAUCAVCBAHBA2.0°26.3°
CAUCAVCBAHBAA118.0°96.5°
OAWCAUCAVCAX58.4°59.7°
OAWCAUCAVCBA59.0°59.8°
OAWCAUNATHNAT3.4°0.0°
CAVCAXCAYHAX120.0°119.2°
CAVCAXCAYHAXA120.0°119.2°
CAVCAXCAYCAZ44.2°23.5°
CAXCAVCBACAZ0.1°23.1°
CAVCAXHAXHAXA123.1°121.6°
CAVCAXCAYHAY164.1°142.2°
CAVCAXCAYHAYA75.9°95.2°
CAXCAVCBAHBA119.9°95.5°
CAXCAVCBAHBAA120.1°141.7°
CBACAVCAXCAY26.7°0.2°
CAVCBACAZCAY27.5°37.3°
CAVCBACAZHBA120.0°118.6°
CAVCBACAZHBAA120.0°118.6°
CBACAVCAXHAX93.3°119.0°
CBACAVCAXHAXA146.7°119.4°
CAVCBACAZHAZ92.4°81.1°
CAVCBACAZHAZA147.6°155.7°
CAVCBAHBAHBAA122.1°122.7°
CAXCAYCAZHAY120.0°118.7°
CAXCAYCAZHAYA120.0°118.7°
CAXCAYCAZCBA45.1°37.5°
CAYCAXHAXHAXA123.1°121.6°
CAXCAYHAYHAYA122.8°122.6°
CAXCAYCAZHAZ74.9°80.9°
CAXCAYCAZHAZA165.2°155.9°
CAYCAZCBAHAZ120.0°118.4°
CAYCAZCBAHAZA120.0°118.4°
CAZCAYCAXHAX75.8°95.7°
CAZCAYCAXHAXA164.2°142.7°
CAZCAYHAYHAYA122.8°122.6°
CAYCAZHAZHAZA122.3°123.3°
CAYCAZCBAHBA92.4°81.3°
CAYCAZCBAHBAA147.5°155.9°
CBACAZCAYHAY165.1°156.2°
CBACAZCAYHAYA74.9°81.1°
CBACAZHAZHAZA122.4°123.2°
CAZCBAHBAHBAA122.1°122.7°
HAACAACAFHAF1.4°0.3°
HAGCAGHAGAHAGB120.0°119.9°
HNAINAICAJHAJ98.3°170.7°
HAJCAJCAKHAK3.4°0.0°
HAJCAJCAKHAKA116.6°145.0°
HAJCAJCALHAL112.9°145.0°
HAJCAJCALHALA7.1°0.0°
HAKCAKCALHAL120.0°145.0°
HAKCAKCALHALA0.0°0.1°
HAKACAKCALHAL0.1°0.0°
HAKACAKCALHALA120.0°145.0°
HARCARCASHAS0.9°0.0°
HAXCAXCAYHAY44.2°23.0°
HAXCAXCAYHAYA164.1°145.6°
HAXACAXCAYHAY75.8°98.7°
HAXACAXCAYHAYA44.2°24.0°
HAYCAYCAZHAZ45.1°37.8°
HAYCAYCAZHAZA74.8°85.4°
HAYACAYCAZHAZ165.1°160.5°
HAYACAYCAZHAZA45.2°37.2°
HAZCAZCBAHBA147.6°160.3°
HAZCAZCBAHBAA27.5°37.5°
HAZACAZCBAHBA27.6°37.1°
HAZACAZCBAHBAA92.5°85.7°

227111

PDB entries from 2024-11-06

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