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SummaryGeometryRelated PDB entries

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Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
NJSAMsing1.70Å1.69ÅAromatic
NJCAOdoub1.31Å1.33ÅAromatic
NKCAOsing1.32Å1.39ÅAromatic
NKCAPdoub1.31Å1.34ÅAromatic
NLCAFsing1.48Å1.50Å
NLCAGsing1.44Å1.50Å
NQCAIsing1.48Å1.48Å
NQCAPsing1.38Å1.38Å
NQC10sing1.44Å1.47Å
CAACABdoub1.38Å1.40ÅAromatic
CAACACsing1.38Å1.40ÅAromatic
CABCADsing1.38Å1.38ÅAromatic
CACCAEdoub1.38Å1.39ÅAromatic
CADCANdoub1.39Å1.39ÅAromatic
CAECANsing1.39Å1.38ÅAromatic
CAFC9sing1.46Å1.52Å
CAGCAIsing1.54Å1.52Å
SAMCAPsing1.72Å1.74ÅAromatic
CANCAOsing1.48Å1.44Å
C9C10sing1.54Å1.52Å
NLHLsing1.01Å1.00Å
CAFHAF1sing1.09Å1.10Å
CAFHAF2sing1.09Å1.10Å
CAGHAG1sing1.09Å1.10Å
CAGHAG2sing1.09Å1.10Å
CAIHAI1sing1.09Å1.10Å
CAIHAI2sing1.09Å1.10Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
CAAHAAsing1.08Å1.08Å
CABHABsing1.08Å1.08Å
CACHACsing1.08Å1.08Å
CADHADsing1.08Å1.08Å
CAEHAEsing1.08Å1.08Å
C9H91Csing1.09Å1.10Å
C9H92Csing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
SAMNJCAO108.9°105.8°
NJSAMCAP91.7°94.7°
NJCAONK118.0°117.5°
NJCAOCAN120.4°121.3°
CAONKCAP109.4°116.8°
NKCAOCAN121.6°121.3°
NKCAPNQ125.7°127.4°
NKCAPSAM111.9°105.2°
CAFNLCAG115.7°110.0°
NLCAFC9109.2°112.2°
CAFNLHL107.9°111.0°
NLCAFHAF1109.6°109.0°
NLCAFHAF2109.5°108.9°
NLCAGCAI107.8°112.6°
CAGNLHL107.9°111.0°
NLCAGHAG1109.9°108.8°
NLCAGHAG2109.9°108.9°
CAINQCAP117.3°111.0°
CAINQC10120.7°114.3°
NQCAICAG112.5°112.8°
NQCAIHAI1108.7°108.8°
NQCAIHAI2108.7°108.8°
CAPNQC10115.5°111.0°
NQCAPSAM122.3°127.4°
NQC10C9114.2°108.6°
NQC10H101108.3°109.6°
NQC10H102108.3°109.6°
CABCAACAC119.2°120.3°
CAACABCAD116.7°120.1°
CABCAAHAA120.4°119.9°
CAACABHAB121.7°119.9°
CAACACCAE124.5°120.1°
CACCAAHAA120.4°119.9°
CAACACHAC117.8°119.9°
CABCADCAN122.4°119.9°
CADCABHAB121.7°119.9°
CABCADHAD118.8°120.1°
CACCAECAN114.4°119.9°
CAECACHAC117.7°120.0°
CACCAEHAE122.8°120.0°
CADCANCAE122.7°119.8°
CADCANCAO118.5°120.1°
CANCADHAD118.8°120.1°
CAECANCAO118.7°120.1°
CANCAEHAE122.8°120.1°
CAFC9C10109.0°111.9°
C9CAFHAF1109.5°108.9°
C9CAFHAF2109.6°108.9°
CAFC9H91C109.6°109.0°
CAFC9H92C109.6°109.0°
CAICAGHAG1109.9°108.9°
CAICAGHAG2109.9°108.8°
CAGCAIHAI1108.7°108.9°
CAGCAIHAI2108.7°108.8°
C9C10H101108.3°109.6°
C9C10H102108.3°109.6°
C10C9H91C109.6°109.0°
C10C9H92C109.6°109.0°
HAF1CAFHAF2109.5°108.9°
HAG1CAGHAG2109.5°108.7°
HAI1CAIHAI2109.5°108.7°
H101C10H102109.5°109.7°
H91CC9H92C109.5°108.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
SAMNJCAONK1.3°0.0°
NJSAMCAPNK1.4°0.0°
NJSAMCAPNQ179.5°180.0°
SAMNJCAOCAN177.2°180.0°
NJCAONKCAN178.4°180.0°
NJCAONKCAP2.3°0.1°
NJCAOCANCAD174.2°180.0°
NJCAOCANCAE2.8°0.0°
CAONJSAMCAP0.1°0.0°
CAONKCAPNQ179.8°180.0°
NKCAOCANCAD4.2°0.0°
NKCAOCANCAE178.8°180.0°
CAONKCAPSAM2.2°0.0°
NKCAPNQCAI9.0°56.1°
NKCAPNQSAM177.8°179.9°
NKCAPNQC10160.9°175.7°
CAPNKCAOCAN176.1°179.9°
CAFNLCAGHL120.9°123.2°
NLCAFC9HAF1120.0°120.7°
NLCAFC9HAF2119.9°120.6°
CAFNLCAGCAI8.0°93.9°
NLCAFC9C1045.6°60.9°
NLCAFHAF1HAF2120.1°118.7°
CAFNLCAGHAG1111.7°145.3°
CAFNLCAGHAG2127.7°26.9°
NLCAFC9H91C74.3°178.5°
NLCAFC9H92C165.6°59.7°
NLCAGCAINQ67.5°41.6°
CAGNLCAFC989.9°80.3°
NLCAGCAIHAG1119.8°120.8°
NLCAGCAIHAG2119.7°120.8°
CAGNLCAFHAF1150.1°40.4°
CAGNLCAFHAF230.0°159.1°
NLCAGHAG1HAG2120.8°118.4°
NLCAGCAIHAI1172.0°162.5°
NLCAGCAIHAI252.9°79.2°
CAINQCAPC10151.9°128.2°
NQCAICAGHAI1120.4°120.9°
NQCAICAGHAI2120.5°120.8°
CAINQCAPSAM173.3°124.0°
CAINQC10C955.6°93.4°
NQCAICAGHAG1172.7°162.4°
NQCAICAGHAG252.2°79.2°
NQCAIHAI1HAI2118.6°118.4°
CAINQC10H101176.3°146.8°
CAINQC10H10265.1°26.3°
CAPNQCAICAG115.7°168.4°
CAPNQC10C9153.5°140.2°
CAPNQCAIHAI14.7°47.5°
CAPNQCAIHAI2123.8°70.8°
CAPNQC10H10132.8°20.4°
CAPNQC10H10285.8°100.1°
NQC10C9CAF45.1°78.6°
C10NQCAICAG34.7°41.9°
C10NQCAPSAM21.3°4.2°
NQC10C9H101120.7°119.7°
NQC10C9H102120.7°119.8°
C10NQCAIHAI1155.1°79.0°
C10NQCAIHAI285.8°162.7°
NQC10H101H102117.9°120.4°
NQC10C9H91C165.1°160.8°
NQC10C9H92C74.8°42.0°
CABCAACACHAA180.0°179.8°
CAACABCADHAB180.0°180.0°
CABCAACACCAE0.5°0.1°
CAACABCADCAN1.7°0.0°
CABCAACACHAC179.5°180.0°
CAACABCADHAD178.3°180.0°
CACCAACABCAD0.2°0.0°
CAACACCAEHAC180.0°180.0°
CAACACCAECAN2.0°0.0°
CACCAACABHAB179.8°180.0°
CAACACCAEHAE177.9°180.0°
CABCADCANHAD180.0°180.0°
CABCADCANCAE3.5°0.0°
CABCADCANCAO179.6°179.9°
CADCABCAAHAA179.8°179.7°
CACCAECANCAD3.5°0.0°
CACCAECANHAE180.0°179.9°
CACCAECANCAO179.6°179.9°
CAECACCAAHAA179.5°179.7°
CADCANCAECAO176.9°179.9°
CANCADCABHAB178.3°180.0°
CADCANCAEHAE176.5°179.9°
CANCAECACHAC178.0°180.0°
CAECANCADHAD176.5°180.0°
CAFC9C10H91C119.9°120.6°
CAFC9C10H92C119.9°120.6°
C9CAFNLHL149.1°42.9°
C9CAFHAF1HAF2120.1°118.7°
CAFC9C10H101165.8°161.6°
CAFC9C10H10275.6°41.1°
CAFC9H91CH92C120.2°118.8°
CAICAGNLHL128.9°29.3°
CAICAGHAG1HAG2120.7°118.5°
CAGCAIHAI1HAI2118.6°118.3°
CAOCANCADHAD0.5°0.1°
CAOCANCAEHAE0.4°0.0°
C10C9CAFHAF1165.6°59.8°
C10C9CAFHAF274.3°178.5°
C9C10H101H102117.9°120.4°
C10C9H91CH92C120.2°118.8°
HLNLCAFHAF129.2°163.6°
HLNLCAFHAF290.9°77.7°
HLNLCAGHAG19.2°91.5°
HLNLCAGHAG2111.4°150.1°
HAF1CAFC9H91C45.7°60.8°
HAF1CAFC9H92C74.5°179.6°
HAF2CAFC9H91C165.8°57.8°
HAF2CAFC9H92C45.7°60.9°
HAG1CAGCAIHAI152.3°76.7°
HAG1CAGCAIHAI266.8°41.5°
HAG2CAGCAIHAI168.2°41.7°
HAG2CAGCAIHAI2172.6°159.9°
H101C10C9H91C74.2°41.0°
H101C10C9H92C45.9°77.7°
H102C10C9H91C44.4°79.5°
H102C10C9H92C164.5°161.8°
HAACAACABHAB0.2°0.3°
HAACAACACHAC0.5°0.2°
HABCABCADHAD1.7°0.0°
HACCACCAEHAE2.1°0.1°

218500

PDB entries from 2024-04-17

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