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3RA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAFCAAdoub1.39Å1.40ÅAromatic
CAACABsing1.38Å1.39ÅAromatic
CAAHAAsing1.08Å1.08Å
CACCABdoub1.38Å1.39ÅAromatic
CABHABsing1.08Å1.08Å
CADCACsing1.38Å1.39ÅAromatic
CACHACsing1.08Å1.08Å
CAECADdoub1.38Å1.39ÅAromatic
CADHADsing1.08Å1.08Å
CAECAFsing1.39Å1.40ÅAromatic
CAEHAEsing1.08Å1.08Å
CAFNAGsing1.39Å1.36Å
CAHNAGsing1.36Å1.35Å
NAGHNAGsing0.97Å1.00Å
NAICAHsing1.37Å1.33Å
CAHNALdoub1.32Å1.34Å
CAJNAIdoub1.30Å1.33Å
CANCAJsing1.51Å1.39Å
CAJCAKsing1.50Å1.39Å
OAMCAKdoub1.21Å1.23Å
CAKNALsing1.35Å1.33Å
CAOCANsing1.51Å1.40Å
CANHANsing1.09Å1.10Å
CANHANAsing1.09Å1.10Å
CATCAOdoub1.38Å1.38ÅAromatic
CAOCAPsing1.38Å1.39ÅAromatic
CAQCAPdoub1.39Å1.39ÅAromatic
CAPHAPsing1.08Å1.08Å
CARCAQsing1.39Å1.38ÅAromatic
OAUCAQsing1.36Å1.36Å
OAWCARsing1.37Å1.36Å
CASCARdoub1.38Å1.38ÅAromatic
CASCATsing1.38Å1.38ÅAromatic
CASHASsing1.08Å1.08Å
CATHATsing1.08Å1.08Å
CAVOAUsing1.44Å1.40Å
OAWCAVsing1.44Å1.41Å
CAVHAVsing1.09Å1.10Å
CAVHAVAsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAFCAACAB120.6°119.9°
CAFCAAHAA119.7°120.1°
CAACAFCAE118.0°119.8°
CAACAFNAG118.6°120.1°
CABCAAHAA119.7°120.0°
CAACABCAC120.5°120.1°
CAACABHAB119.8°120.0°
CACCABHAB119.8°119.9°
CABCACCAD119.7°120.2°
CABCACHAC120.2°120.0°
CADCACHAC120.1°119.8°
CACCADCAE119.4°120.1°
CACCADHAD120.3°120.0°
CAECADHAD120.3°119.9°
CADCAECAF121.8°119.9°
CADCAEHAE119.1°120.1°
CAFCAEHAE119.1°120.1°
CAECAFNAG123.4°120.1°
CAFNAGCAH127.1°120.0°
CAFNAGHNAG116.4°120.0°
CAHNAGHNAG116.4°120.0°
NAGCAHNAI126.9°124.5°
NAGCAHNAL123.3°124.5°
NAICAHNAL109.8°111.0°
CAHNAICAJ109.1°109.3°
CAHNALCAK106.4°108.4°
NAICAJCAN134.5°127.1°
NAICAJCAK105.3°105.9°
CANCAJCAK120.3°127.0°
CAJCANCAO125.0°109.5°
CAJCANHAN104.6°109.5°
CAJCANHANA104.6°109.5°
CAJCAKOAM124.2°127.2°
CAJCAKNAL109.4°105.5°
OAMCAKNAL126.4°127.2°
CAOCANHAN104.6°109.4°
CAOCANHANA104.6°109.4°
CANCAOCAT117.4°119.9°
CANCAOCAP124.0°119.9°
HANCANHANA113.9°109.5°
CATCAOCAP118.6°120.1°
CAOCATCAS122.6°120.1°
CAOCATHAT118.7°119.9°
CAOCAPCAQ119.0°120.0°
CAOCAPHAP120.5°120.0°
CAQCAPHAP120.5°120.0°
CAPCAQCAR121.0°119.8°
CAPCAQOAU131.4°131.5°
CARCAQOAU107.5°108.7°
CAQCAROAW107.6°108.6°
CAQCARCAS120.4°119.9°
CAQOAUCAV106.8°105.5°
OAWCARCAS131.9°131.6°
CAROAWCAV106.3°105.5°
CARCASCAT118.4°120.0°
CARCASHAS120.8°120.0°
CATCASHAS120.8°120.0°
CASCATHAT118.7°119.9°
OAUCAVOAW103.3°103.7°
OAUCAVHAV111.6°110.6°
OAUCAVHAVA111.6°110.6°
OAWCAVHAV111.6°110.6°
OAWCAVHAVA111.6°110.7°
HAVCAVHAVA107.3°110.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAFCAACABHAA180.0°179.6°
CAFCAACABCAC0.8°0.4°
CAFCAACABHAB179.2°179.7°
CAACAFCAECAD1.1°0.6°
CAACAFCAENAG178.0°179.4°
CAACAFCAEHAE178.8°179.7°
CAACAFNAGCAH160.5°30.9°
CAACAFNAGHNAG19.5°149.1°
CAACABCACHAB180.0°179.9°
CAACABCACCAD0.8°0.0°
CAACABCACHAC179.2°180.0°
CABCAACAFCAE0.9°0.6°
CABCAACAFNAG179.1°179.9°
HAACAACABCAC179.2°180.0°
HAACAACABHAB0.8°0.1°
HAACAACAFCAE179.0°179.7°
HAACAACAFNAG0.9°0.3°
CABCACCADHAC180.0°180.0°
CABCACCADCAE1.0°0.0°
CABCACCADHAD179.0°180.0°
HABCABCACCAD179.2°179.9°
HABCABCACHAC0.8°0.1°
CACCADCAEHAD180.0°180.0°
CACCADCAECAF1.2°0.2°
CACCADCAEHAE178.8°180.0°
HACCACCADCAE179.0°180.0°
HACCACCADHAD1.0°0.0°
CADCAECAFHAE180.0°179.8°
CADCAECAFNAG179.2°180.0°
HADCADCAECAF178.8°179.7°
HADCADCAEHAE1.2°0.1°
CAECAFNAGCAH21.5°149.7°
CAECAFNAGHNAG158.5°30.4°
HAECAECAFNAG0.8°0.2°
CAFNAGCAHHNAG180.0°179.9°
CAFNAGCAHNAI3.0°175.2°
CAFNAGCAHNAL175.9°5.2°
NAGCAHNAINAL179.0°179.7°
NAGCAHNAICAJ179.7°180.0°
NAGCAHNALCAK179.9°179.8°
HNAGNAGCAHNAI177.1°4.7°
HNAGNAGCAHNAL4.1°174.9°
CAHNAICAJCAN178.0°179.9°
CAHNAICAJCAK1.2°0.0°
NAICAHNALCAK0.9°0.5°
NALCAHNAICAJ1.3°0.3°
CAHNALCAKCAJ0.1°0.5°
CAHNALCAKOAM178.2°179.8°
NAICAJCANCAK179.1°179.9°
NAICAJCAKOAM179.0°180.0°
NAICAJCAKNAL0.7°0.3°
NAICAJCANCAO9.0°0.0°
NAICAJCANHAN110.9°120.0°
NAICAJCANHANA129.1°119.9°
CANCAJCAKOAM0.3°0.1°
CANCAJCAKNAL178.6°179.8°
CAJCANCAOHAN120.0°120.0°
CAJCANCAOHANA120.0°120.0°
CAJCANHANHANA113.6°120.1°
CAJCANCAOCAT167.8°90.3°
CAJCANCAOCAP14.2°90.0°
CAJCAKOAMNAL178.1°179.6°
CAKCAJCANCAO170.1°180.0°
CAKCAJCANHAN69.9°60.1°
CAKCAJCANHANA50.1°60.0°
CAOCANHANHANA113.6°120.0°
CANCAOCATCAP178.1°179.7°
CANCAOCAPCAQ179.9°180.0°
CANCAOCAPHAP0.1°0.0°
CANCAOCATCAS179.3°179.7°
CANCAOCATHAT0.7°0.2°
HANCANCAOCAT72.2°149.7°
HANCANCAOCAP105.8°30.0°
HANACANCAOCAT47.8°29.7°
HANACANCAOCAP134.2°150.0°
CATCAOCAPCAQ1.9°0.3°
CATCAOCAPHAP178.1°179.8°
CAOCATCASCAR1.3°0.5°
CAOCATCASHAT180.0°179.5°
CAOCATCASHAS178.7°179.7°
CAOCAPCAQHAP180.0°179.9°
CAOCAPCAQCAR0.0°0.0°
CAOCAPCAQOAU178.5°179.9°
CAPCAOCATCAS2.6°0.5°
CAPCAOCATHAT177.4°179.9°
CAPCAQCAROAU178.8°180.0°
CAPCAQCAROAW177.7°180.0°
CAPCAQCARCAS1.3°0.0°
CAPCAQOAUCAV163.7°162.7°
HAPCAPCAQCAR180.0°180.0°
HAPCAPCAQOAU1.4°0.0°
CAQCAROAWCAS175.8°180.0°
CAQCARCASCAT0.7°0.2°
CAQCARCASHAS179.3°180.0°
CARCAQOAUCAV15.0°17.3°
CAQCAROAWCAV20.4°17.3°
OAUCAQCAROAW3.5°0.0°
OAUCAQCARCAS179.8°180.0°
CAQOAUCAVOAW26.8°27.1°
CAQOAUCAVHAV93.2°145.7°
CAQOAUCAVHAVA146.8°91.6°
OAWCARCASCAT176.0°179.8°
OAWCARCASHAS3.9°0.0°
CAROAWCAVOAU28.9°27.1°
CAROAWCAVHAV91.1°145.7°
CAROAWCAVHAVA149.0°91.5°
CARCASCATHAS180.0°179.8°
CARCASCATHAT178.7°180.0°
CASCAROAWCAV163.8°162.7°
HASCASCATHAT1.3°0.2°
OAUCAVOAWHAV120.0°118.6°
OAUCAVOAWHAVA120.0°118.6°
OAUCAVHAVHAVA122.5°122.8°
OAWCAVHAVHAVA122.5°122.9°

222624

PDB entries from 2024-07-17

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