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H4I

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
FBJCBFsing1.35Å1.29Å
CBECBFdoub1.38Å1.40ÅAromatic
CBECBDsing1.38Å1.40ÅAromatic
CBFCBGsing1.38Å1.39ÅAromatic
CBDCBCdoub1.38Å1.40ÅAromatic
CBGCBHdoub1.38Å1.39ÅAromatic
CBCCBHsing1.39Å1.41ÅAromatic
CBCSAZsing1.76Å1.79Å
CBHFBIsing1.35Å1.38Å
OBASAZdoub1.42Å1.53Å
OBBSAZdoub1.42Å1.51Å
SAZNAYsing1.66Å1.70Å
FAXCAUsing1.40Å1.34Å
CANCAOsing1.51Å1.43Å
CANSAKsing1.81Å1.83Å
CAPCAOdoub1.38Å1.40ÅAromatic
CAPCAQsing1.38Å1.40ÅAromatic
CAOCATsing1.38Å1.40ÅAromatic
CAQCARdoub1.38Å1.41ÅAromatic
CATCASdoub1.38Å1.39ÅAromatic
FAWCAUsing1.40Å1.30Å
CARCASsing1.38Å1.39ÅAromatic
CARCAUsing1.51Å1.42Å
CAUFAVsing1.40Å1.30Å
NAYCACsing1.40Å1.35Å
OALSAKdoub1.42Å1.53Å
SAKOAMdoub1.42Å1.50Å
SAKNAJsing1.66Å1.66Å
CACCABdoub1.39Å1.39ÅAromatic
CACCADsing1.39Å1.38ÅAromatic
CABCAAsing1.39Å1.42ÅAromatic
CADCAEdoub1.38Å1.39ÅAromatic
CAANAJsing1.40Å1.36Å
CAACAFdoub1.39Å1.41ÅAromatic
NAJCAIsing1.47Å1.49Å
CAECAFsing1.39Å1.39ÅAromatic
CAFCAGsing1.51Å1.41Å
CAICAHsing1.53Å1.48Å
CAHCAGsing1.53Å1.53Å
CBGH1sing1.08Å1.08Å
CBEH2sing1.08Å1.08Å
CBDH3sing1.08Å1.08Å
NAYH4sing0.97Å1.00Å
CABH5sing1.08Å1.08Å
CADH6sing1.08Å1.08Å
CAEH7sing1.08Å1.08Å
CAGH8sing1.09Å1.10Å
CAGH9sing1.09Å1.10Å
CAHH10sing1.09Å1.10Å
CAHH11sing1.09Å1.10Å
CAIH12sing1.09Å1.10Å
CAIH13sing1.09Å1.10Å
CANH14sing1.09Å1.10Å
CANH15sing1.09Å1.10Å
CAPH16sing1.08Å1.08Å
CAQH17sing1.08Å1.08Å
CASH18sing1.08Å1.08Å
CATH19sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
FBJCBFCBE119.4°120.0°
FBJCBFCBG120.1°120.0°
CBFCBECBD120.7°120.0°
CBECBFCBG120.6°120.0°
CBFCBEH2119.7°120.0°
CBECBDCBC119.0°120.1°
CBDCBEH2119.7°120.0°
CBECBDH3120.5°120.0°
CBFCBGCBH119.0°120.0°
CBFCBGH1120.5°120.1°
CBDCBCCBH120.0°120.0°
CBDCBCSAZ120.0°120.0°
CBCCBDH3120.5°120.0°
CBGCBHCBC120.8°120.0°
CBGCBHFBI119.8°120.0°
CBHCBGH1120.5°120.0°
CBHCBCSAZ120.0°120.0°
CBCCBHFBI119.4°120.0°
CBCSAZOBA110.3°106.4°
CBCSAZOBB109.4°106.4°
CBCSAZNAY110.3°107.2°
OBASAZOBB109.2°123.2°
OBASAZNAY109.8°106.4°
OBBSAZNAY107.7°106.4°
SAZNAYCAC123.1°120.0°
SAZNAYH4106.0°120.1°
FAXCAUFAW107.4°109.5°
FAXCAUCAR112.4°109.5°
FAXCAUFAV105.2°109.4°
CAOCANSAK111.9°109.4°
CANCAOCAP122.6°120.0°
CANCAOCAT119.4°120.0°
CAOCANH14108.9°109.5°
CAOCANH15108.8°109.4°
CANSAKOAL113.5°110.5°
CANSAKOAM109.8°110.6°
CANSAKNAJ106.0°104.4°
SAKCANH14108.9°109.5°
SAKCANH15108.9°109.5°
CAOCAPCAQ120.4°120.0°
CAPCAOCAT118.0°120.0°
CAOCAPH16119.8°119.9°
CAPCAQCAR121.2°120.0°
CAQCAPH16119.8°120.0°
CAPCAQH17119.4°120.0°
CAOCATCAS121.8°120.0°
CAOCATH19119.1°120.0°
CAQCARCAS118.2°119.9°
CAQCARCAU123.4°120.0°
CARCAQH17119.4°120.0°
CATCASCAR120.5°120.0°
CATCASH18119.8°120.0°
CASCATH19119.1°120.0°
FAWCAUCAR109.2°109.5°
FAWCAUFAV111.2°109.5°
CASCARCAU118.4°120.0°
CARCASH18119.8°119.9°
CARCAUFAV111.3°109.5°
NAYCACCAB123.2°120.1°
NAYCACCAD118.3°120.1°
CACNAYH4106.0°120.0°
OALSAKOAM110.1°121.0°
OALSAKNAJ109.5°104.3°
OAMSAKNAJ107.6°104.3°
SAKNAJCAA122.3°120.5°
SAKNAJCAI119.3°120.5°
CABCACCAD118.4°119.7°
CACCABCAA121.9°120.0°
CACCABH5119.0°120.0°
CACCADCAE120.6°120.0°
CACCADH6119.7°120.0°
CABCAANAJ123.6°119.1°
CABCAACAF118.7°120.1°
CAACABH5119.1°120.0°
CADCAECAF121.5°120.4°
CAECADH6119.7°120.0°
CADCAEH7119.3°119.8°
NAJCAACAF117.7°120.8°
CAANAJCAI118.1°118.9°
CAACAFCAE118.9°119.7°
CAACAFCAG123.7°121.5°
NAJCAICAH108.0°107.8°
NAJCAIH12109.9°109.8°
NAJCAIH13109.8°109.9°
CAECAFCAG117.4°118.8°
CAFCAEH7119.3°119.8°
CAFCAGCAH114.2°110.5°
CAFCAGH8108.3°109.2°
CAFCAGH9108.3°109.3°
CAICAHCAG108.3°108.9°
CAICAHH10109.8°109.5°
CAICAHH11109.8°109.7°
CAHCAIH12109.8°109.8°
CAHCAIH13109.8°109.8°
CAHCAGH8108.3°109.3°
CAHCAGH9108.3°109.3°
CAGCAHH10109.7°109.6°
CAGCAHH11109.7°109.6°
H8CAGH9109.5°109.3°
H10CAHH11109.5°109.5°
H12CAIH13109.5°109.8°
H14CANH15109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
FBJCBFCBECBG179.1°180.0°
FBJCBFCBECBD179.3°180.0°
FBJCBFCBGCBH179.5°180.0°
FBJCBFCBGH10.5°0.0°
FBJCBFCBEH20.7°0.0°
CBFCBECBDH2180.0°180.0°
CBFCBECBDCBC0.1°0.3°
CBECBFCBGCBH0.4°0.0°
CBECBFCBGH1179.5°180.0°
CBFCBECBDH3179.9°180.0°
CBDCBECBFCBG0.3°0.0°
CBECBDCBCH3180.0°179.7°
CBECBDCBCCBH0.1°0.5°
CBECBDCBCSAZ179.4°180.0°
CBFCBGCBHH1180.0°180.0°
CBFCBGCBHCBC0.5°0.3°
CBFCBGCBHFBI179.5°180.0°
CBGCBFCBEH2179.7°180.0°
CBDCBCCBHCBG0.3°0.5°
CBDCBCCBHSAZ179.5°179.5°
CBDCBCCBHFBI179.3°179.7°
CBDCBCSAZOBA133.2°131.9°
CBDCBCSAZOBB13.0°1.1°
CBDCBCSAZNAY105.3°114.6°
CBCCBDCBEH2179.9°179.8°
CBGCBHCBCFBI179.0°179.8°
CBGCBHCBCSAZ179.2°180.0°
CBHCBCSAZOBA47.3°47.6°
CBHCBCSAZOBB167.4°179.4°
CBHCBCSAZNAY74.2°65.9°
CBCCBHCBGH1179.5°179.8°
CBHCBCCBDH3179.9°179.7°
SAZCBCCBHFBI0.2°0.2°
CBCSAZOBAOBB120.3°122.9°
CBCSAZOBANAY121.8°114.1°
CBCSAZOBBNAY119.9°114.1°
CBCSAZNAYCAC53.6°61.6°
SAZCBCCBDH30.6°0.2°
CBCSAZNAYH468.3°118.5°
FBICBHCBGH10.5°0.0°
OBASAZOBBNAY119.2°123.0°
OBASAZNAYCAC175.3°175.1°
OBASAZNAYH453.5°5.0°
OBBSAZNAYCAC65.8°52.0°
OBBSAZNAYH4172.3°128.0°
SAZNAYCACH4121.9°179.9°
SAZNAYCACCAB69.7°134.1°
SAZNAYCACCAD113.7°46.2°
FAXCAUCARCAQ129.5°30.0°
FAXCAUFAWCAR122.1°120.0°
FAXCAUFAWFAV114.6°120.0°
FAXCAUCARCAS50.7°150.1°
FAXCAUCARFAV117.7°120.0°
CAOCANSAKH14120.4°120.0°
CAOCANSAKH15120.3°119.9°
CANCAOCAPCAT178.9°179.7°
CANCAOCAPCAQ179.2°180.0°
CANCAOCATCAS179.2°179.8°
CAOCANSAKOAL170.8°68.4°
CAOCANSAKOAM65.4°68.4°
CAOCANSAKNAJ50.5°180.0°
CAOCANH14H15118.9°120.0°
CANCAOCAPH160.8°0.0°
CANCAOCATH190.8°0.1°
SAKCANCAOCAP113.2°89.7°
SAKCANCAOCAT67.9°90.0°
CANSAKOALOAM123.5°131.5°
CANSAKOALNAJ118.3°111.7°
CANSAKOAMNAJ115.0°111.7°
CANSAKNAJCAA53.8°82.4°
CANSAKNAJCAI120.6°97.6°
SAKCANH14H15118.9°120.1°
CAOCAPCAQH16180.0°179.9°
CAOCAPCAQCAR0.4°0.0°
CAPCAOCATCAS0.3°0.5°
CAPCAOCANH147.2°150.3°
CAPCAOCANH15126.4°30.3°
CAOCAPCAQH17179.6°179.9°
CAPCAOCATH19179.7°179.6°
CAQCAPCAOCAT0.3°0.3°
CAPCAQCARH17180.0°179.9°
CAPCAQCARCAS0.6°0.1°
CAPCAQCARCAU179.6°180.0°
CAOCATCASH19180.0°179.9°
CAOCATCASCAR0.4°0.4°
CATCAOCANH14171.7°30.0°
CATCAOCANH1552.5°150.0°
CATCAOCAPH16179.7°179.8°
CAOCATCASH18179.6°179.8°
CAQCARCASCAT0.6°0.1°
CAQCARCAUFAW10.4°150.0°
CAQCARCASCAU179.8°179.9°
CAQCARCAUFAV112.8°89.9°
CARCAQCAPH16179.6°180.0°
CAQCARCASH18179.4°180.0°
CATCASCARH18180.0°179.9°
CATCASCARCAU179.6°179.8°
FAWCAUCARCAS169.8°30.1°
FAWCAUCARFAV123.2°120.0°
CASCARCAUFAV67.0°90.0°
CASCARCAQH17179.5°180.0°
CARCASCATH19179.6°179.7°
CAUCARCAQH170.4°0.1°
CAUCARCASH180.4°0.1°
NAYCACCABCAD176.6°179.7°
NAYCACCABCAA178.0°180.0°
NAYCACCADCAE178.5°179.9°
NAYCACCABH52.0°0.1°
NAYCACCADH61.5°0.1°
OALSAKOAMNAJ119.3°116.7°
OALSAKNAJCAA69.1°161.6°
OALSAKNAJCAI116.6°18.5°
OALSAKCANH1450.5°171.6°
OALSAKCANH1568.8°51.6°
OAMSAKNAJCAA171.2°33.8°
OAMSAKNAJCAI3.2°146.3°
OAMSAKCANH14174.2°51.6°
OAMSAKCANH1554.9°171.7°
SAKNAJCAACAB26.4°13.5°
SAKNAJCAACAI174.4°179.9°
SAKNAJCAACAF153.3°166.5°
SAKNAJCAICAH122.1°135.3°
SAKNAJCAIH12118.1°105.1°
SAKNAJCAIH132.3°15.8°
NAJSAKCANH1469.9°60.0°
NAJSAKCANH15170.9°60.0°
CACCABCAAH5180.0°179.9°
CABCACCADCAE1.7°0.1°
CACCABCAANAJ179.3°179.7°
CACCABCAACAF0.3°0.2°
CABCACNAYH4168.4°46.0°
CABCACCADH6178.2°179.8°
CADCACCABCAA1.4°0.2°
CACCADCAEH6180.0°179.9°
CACCADCAECAF1.1°0.0°
CADCACNAYH48.2°133.7°
CADCACCABH5178.6°179.9°
CACCADCAEH7178.9°180.0°
CABCAANAJCAF179.7°180.0°
CABCAANAJCAI159.3°166.4°
CABCAACAFCAE0.4°0.1°
CABCAACAFCAG179.9°179.5°
CADCAECAFCAA0.0°0.0°
CADCAECAFH7180.0°180.0°
CADCAECAFCAG179.6°179.6°
NAJCAACAFCAE179.9°179.9°
NAJCAACAFCAG0.4°0.5°
CAANAJCAICAH52.5°44.7°
NAJCAACABH50.7°0.1°
CAANAJCAIH1267.3°74.8°
CAANAJCAIH13172.2°164.3°
CAFCAANAJCAI21.1°13.6°
CAACAFCAECAG179.6°179.6°
CAACAFCAGCAH12.3°20.6°
CAFCAACABH5179.7°179.9°
CAACAFCAEH7180.0°180.0°
CAACAFCAGH8133.0°99.6°
CAACAFCAGH9108.4°140.9°
NAJCAICAHH12119.8°119.6°
NAJCAICAHH13119.7°119.6°
NAJCAICAHCAG60.5°63.2°
NAJCAICAHH10179.7°176.9°
NAJCAICAHH1159.3°56.7°
NAJCAIH12H13120.6°121.0°
CAECAFCAGCAH168.2°159.8°
CAFCAECADH6178.9°179.9°
CAECAFCAGH847.5°80.0°
CAECAFCAGH971.1°39.5°
CAFCAGCAHCAI42.7°51.3°
CAFCAGCAHH8120.7°120.2°
CAFCAGCAHH9120.7°120.3°
CAGCAFCAEH70.4°0.4°
CAFCAGH8H9117.8°119.5°
CAFCAGCAHH10162.6°171.1°
CAFCAGCAHH1177.1°68.6°
CAICAHCAGH10119.8°119.8°
CAICAHCAGH11119.8°119.9°
CAICAHCAGH8163.4°68.9°
CAICAHCAGH977.9°171.6°
CAICAHH10H11120.6°120.3°
CAHCAIH12H13120.7°120.7°
CAHCAGH8H9117.9°119.5°
CAGCAHH10H11120.5°120.3°
CAGCAHCAIH1259.3°56.4°
CAGCAHCAIH13179.7°177.1°
H2CBECBDH30.1°0.0°
H6CADCAEH71.1°0.1°
H8CAGCAHH1076.7°50.9°
H8CAGCAHH1143.6°171.2°
H9CAGCAHH1041.9°68.6°
H9CAGCAHH11162.2°51.7°
H10CAHCAIH1260.5°63.5°
H10CAHCAIH1359.9°57.3°
H11CAHCAIH12179.1°176.3°
H11CAHCAIH1360.5°62.9°
H16CAPCAQH170.4°0.0°
H18CASCATH190.4°0.1°

224931

PDB entries from 2024-09-11

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