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PJU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAOCAPsing1.43Å1.45Å
OAOCANsing1.43Å1.43Å
CAPCAQsing1.53Å1.56Å
CANCAMsing1.53Å1.56Å
CAQNALsing1.47Å1.49Å
CAMCARsing1.53Å1.53Å
CAMNALsing1.47Å1.49Å
CAROASsing1.43Å1.41Å
NALCAKsing1.47Å1.48Å
CAKCAJsing1.53Å1.55Å
CAHCAIsing1.51Å1.49Å
CAHCAAsing1.51Å1.53Å
CAJOAGsing1.43Å1.44Å
OAGCABsing1.36Å1.36Å
CAICAUdoub1.35Å1.30ÅAromatic
CAICAVsing1.41Å1.40ÅAromatic
CAUNATsing1.35Å1.32ÅAromatic
NBHC2sing1.38Å1.33Å
N3C2doub1.32Å1.35ÅAromatic
N3C4sing1.33Å1.35ÅAromatic
FAZCAXsing1.40Å1.34Å
CAACABdoub1.39Å1.38ÅAromatic
CAACAFsing1.38Å1.40ÅAromatic
C2N1sing1.33Å1.36ÅAromatic
CABCACsing1.39Å1.40ÅAromatic
CAVC4sing1.48Å1.41Å
CAVNAWdoub1.32Å1.34ÅAromatic
C4C5doub1.40Å1.41ÅAromatic
NATCAXsing1.47Å1.48Å
NATNAWsing1.40Å1.23ÅAromatic
CAXFAYsing1.40Å1.28Å
N1C6doub1.32Å1.33ÅAromatic
C5C6sing1.39Å1.38ÅAromatic
C6CL6sing1.74Å1.72Å
CAFCAEdoub1.38Å1.40ÅAromatic
CACCADdoub1.38Å1.40ÅAromatic
CAECADsing1.38Å1.39ÅAromatic
OASH1sing0.97Å0.95Å
CARH2sing1.09Å1.10Å
CARH3sing1.09Å1.10Å
CAMH4sing1.09Å1.10Å
CANH5sing1.09Å1.10Å
CANH6sing1.09Å1.10Å
CAPH7sing1.09Å1.10Å
CAPH8sing1.09Å1.10Å
CAQH9sing1.09Å1.10Å
CAQH10sing1.09Å1.10Å
CAKH12sing1.09Å1.10Å
CAKH13sing1.09Å1.10Å
CAJH14sing1.09Å1.10Å
CAJH15sing1.09Å1.10Å
CACH16sing1.08Å1.08Å
CADH17sing1.08Å1.08Å
CAEH18sing1.08Å1.08Å
CAFH19sing1.08Å1.08Å
CAHH20sing1.09Å1.10Å
CAHH21sing1.09Å1.10Å
CAUH22sing1.08Å1.08Å
CAXH23sing1.09Å1.10Å
C5H24sing1.08Å1.08Å
NBHH25sing0.97Å1.00Å
NBHH26sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAPOAOCAN110.1°113.8°
OAOCAPCAQ114.1°109.3°
OAOCAPH7108.3°109.5°
OAOCAPH8108.3°109.5°
OAOCANCAM116.0°109.3°
OAOCANH5107.8°109.5°
OAOCANH6107.8°109.6°
CAPCAQNAL114.8°109.3°
CAQCAPH7108.3°109.5°
CAQCAPH8108.3°109.5°
CAPCAQH9108.1°109.5°
CAPCAQH10108.1°109.5°
CANCAMCAR106.9°109.5°
CANCAMNAL115.7°109.2°
CANCAMH4106.9°109.5°
CAMCANH5107.8°109.5°
CAMCANH6107.8°109.4°
CAQNALCAM120.1°110.8°
CAQNALCAK91.9°111.0°
NALCAQH9108.1°109.5°
NALCAQH10108.1°109.5°
CARCAMNAL111.8°109.5°
CAMCAROAS110.6°109.5°
CAMCARH2109.2°109.4°
CAMCARH3109.2°109.5°
CARCAMH4107.3°109.5°
CAMNALCAK102.4°111.0°
NALCAMH4107.7°109.6°
CAROASH1109.5°114.0°
OASCARH2109.2°109.5°
OASCARH3109.2°109.5°
NALCAKCAJ116.2°109.5°
NALCAKH12107.7°109.4°
NALCAKH13107.8°109.5°
CAKCAJOAG110.5°109.4°
CAJCAKH12107.8°109.5°
CAJCAKH13107.7°109.5°
CAKCAJH14109.2°109.4°
CAKCAJH15109.2°109.5°
CAICAHCAA109.2°109.4°
CAHCAICAU121.8°126.1°
CAHCAICAV132.3°126.0°
CAICAHH20109.5°109.5°
CAICAHH21109.5°109.5°
CAHCAACAB121.1°120.1°
CAHCAACAF119.5°120.0°
CAACAHH20109.6°109.5°
CAACAHH21109.5°109.5°
CAJOAGCAB117.8°117.0°
OAGCAJH14109.2°109.5°
OAGCAJH15109.2°109.5°
OAGCABCAA115.5°120.0°
OAGCABCAC124.1°120.1°
CAUCAICAV105.9°107.8°
CAICAUNAT107.1°108.0°
CAICAUH22126.5°125.9°
CAICAVC4126.5°126.0°
CAICAVNAW106.0°107.9°
CAUNATCAX116.4°125.9°
CAUNATNAW113.5°108.2°
NATCAUH22126.5°126.1°
NBHC2N3118.7°119.2°
NBHC2N1119.1°119.2°
C2NBHH25109.5°120.0°
C2NBHH26109.4°120.0°
C2N3C4120.8°120.7°
N3C2N1122.2°121.7°
N3C4CAV121.7°120.5°
N3C4C5117.7°119.0°
FAZCAXNAT112.7°109.5°
FAZCAXFAY113.0°109.5°
FAZCAXH23105.3°109.5°
CABCAACAF119.3°119.9°
CAACABCAC120.4°119.9°
CAACAFCAE120.6°120.1°
CAACAFH19119.7°119.9°
C2N1C6118.7°121.0°
CABCACCAD120.2°119.9°
CABCACH16119.9°120.0°
C4CAVNAW127.5°126.1°
CAVC4C5120.6°120.5°
CAVNAWNAT107.5°108.1°
C4C5C6119.4°118.4°
C4C5H24120.3°120.8°
CAXNATNAW130.0°125.9°
NATCAXFAY114.7°109.5°
NATCAXH23103.9°109.4°
FAYCAXH23106.1°109.5°
N1C6C5121.0°119.3°
N1C6CL6117.6°120.4°
C5C6CL6121.4°120.4°
C6C5H24120.3°120.8°
CAFCAECAD119.7°120.1°
CAFCAEH18120.1°119.9°
CAECAFH19119.7°120.0°
CACCADCAE119.7°120.1°
CADCACH16119.9°120.1°
CACCADH17120.1°119.9°
CAECADH17120.2°120.0°
CADCAEH18120.1°120.0°
H2CARH3109.5°109.4°
H5CANH6109.4°109.5°
H7CAPH8109.5°109.6°
H9CAQH10109.5°109.5°
H12CAKH13109.5°109.5°
H14CAJH15109.5°109.5°
H20CAHH21109.5°109.4°
H25NBHH26109.5°119.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAOCAPCAQH7120.7°119.9°
OAOCAPCAQH8120.7°119.9°
CAPOAOCANCAM55.7°58.7°
OAOCAPCAQNAL38.5°56.8°
CAPOAOCANH565.3°61.2°
CAPOAOCANH6176.6°178.6°
OAOCAPH7H8117.9°120.1°
OAOCAPCAQH982.2°176.8°
OAOCAPCAQH10159.3°63.1°
CANOAOCAPCAQ60.1°58.7°
OAOCANCAMH5121.0°119.9°
OAOCANCAMH6121.0°120.0°
OAOCANCAMCAR95.3°176.7°
OAOCANCAMNAL30.0°56.8°
OAOCANCAMH4150.0°63.1°
OAOCANH5H6117.0°120.2°
CANOAOCAPH7179.2°61.2°
CANOAOCAPH860.6°178.6°
CAPCAQNALH9120.8°120.0°
CAPCAQNALH10120.8°119.9°
CAPCAQNALCAM12.6°58.6°
CAPCAQNALCAK92.9°177.6°
CAQCAPH7H8117.9°120.1°
CAPCAQH9H10117.6°120.1°
CANCAMNALCAQ8.1°58.6°
CANCAMCARNAL127.6°119.8°
CANCAMCARH4114.5°120.1°
CANCAMNALH4119.6°119.9°
CANCAMCAROAS100.8°57.6°
CANCAMNALCAK91.5°177.6°
CANCAMCARH2139.0°62.4°
CANCAMCARH319.3°177.7°
CAMCANH5H6117.0°120.0°
CAQNALCAMCAR114.6°178.5°
CAQNALCAMCAK99.6°123.8°
CAQNALCAKCAJ151.3°73.6°
CAQNALCAMH4127.7°61.3°
NALCAQCAPH7159.2°63.1°
NALCAQCAPH882.2°176.8°
NALCAQH9H10117.6°120.1°
CAQNALCAKH1230.3°46.4°
CAQNALCAKH1387.7°166.3°
CARCAMNALH4117.7°120.1°
CAMCAROASH2120.2°120.0°
CAMCAROASH3120.2°120.1°
CARCAMNALCAK145.8°57.7°
CAMCAROASH1180.0°180.0°
CAMCARH2H3119.5°119.9°
CARCAMCANH5143.7°56.8°
CARCAMCANH625.6°63.2°
NALCAMCAROAS26.8°62.1°
CAMNALCAKCAJ87.2°162.7°
NALCAMCARH293.4°177.9°
NALCAMCARH3146.9°58.0°
NALCAMCANH591.0°63.1°
NALCAMCANH6150.9°176.8°
CAMNALCAQH9108.2°178.6°
CAMNALCAQH10133.3°61.3°
CAMNALCAKH12151.8°77.3°
CAMNALCAKH1333.7°42.7°
OASCARH2H3119.5°120.0°
OASCARCAMH4144.7°177.7°
NALCAKCAJH12121.0°120.0°
NALCAKCAJH13121.0°120.0°
NALCAKCAJOAG78.8°66.8°
CAKNALCAMH428.1°62.5°
CAKNALCAQH9146.3°57.6°
CAKNALCAQH1027.8°62.5°
NALCAKH12H13116.9°120.0°
NALCAKCAJH1441.3°173.2°
NALCAKCAJH15161.0°53.2°
CAKCAJOAGH14120.2°119.9°
CAKCAJOAGH15120.1°120.0°
CAKCAJOAGCAB147.2°179.9°
CAJCAKH12H13116.9°120.1°
CAKCAJH14H15119.5°120.0°
CAICAHCAAH20119.9°120.1°
CAICAHCAAH21119.9°120.0°
CAHCAICAUCAV179.1°179.7°
CAHCAICAUNAT178.0°180.0°
CAICAHCAACAB93.8°82.2°
CAICAHCAACAF83.9°97.5°
CAHCAICAVC40.8°0.0°
CAHCAICAVNAW177.9°179.9°
CAICAHH20H21120.1°120.0°
CAHCAICAUH222.1°0.1°
CAHCAACABOAG1.7°0.0°
CAACAHCAICAU77.6°6.1°
CAACAHCAICAV101.3°174.2°
CAHCAACABCAF177.7°179.7°
CAHCAACABCAC179.6°179.7°
CAHCAACAFCAE179.7°179.7°
CAHCAACAFH190.2°0.1°
CAACAHH20H21120.2°120.0°
CAJOAGCABCAA177.2°179.8°
CAJOAGCABCAC0.5°0.1°
OAGCAJCAKH12160.2°53.1°
OAGCAJCAKH1342.1°173.2°
OAGCAJH14H15119.5°120.1°
OAGCABCAACAC177.8°179.7°
OAGCABCAACAF179.5°179.7°
OAGCABCACCAD179.0°179.9°
CABOAGCAJH1492.6°60.0°
CABOAGCAJH1527.1°60.1°
OAGCABCACH161.0°0.1°
CAICAUNATH22180.0°180.0°
CAUCAICAVC4179.8°179.7°
CAUCAICAVNAW1.1°0.4°
CAICAUNATCAX176.2°180.0°
CAICAUNATNAW0.8°0.0°
CAUCAICAHH2042.4°113.9°
CAUCAICAHH21162.5°126.1°
CAVCAICAUNAT1.2°0.2°
CAICAVC4N34.4°24.3°
CAICAVC4NAW178.4°179.9°
CAICAVC4C5174.2°155.5°
CAICAVNAWNAT0.6°0.4°
CAVCAICAHH20138.8°65.8°
CAVCAICAHH2118.7°54.2°
CAVCAICAUH22178.8°179.8°
CAUNATCAXFAZ130.0°30.0°
CAUNATNAWCAV0.1°0.2°
CAUNATCAXNAW174.4°180.0°
CAUNATCAXFAY98.7°150.0°
CAUNATCAXH2316.6°90.0°
NBHC2N3N1179.3°179.9°
NBHC2N3C4176.7°179.9°
NBHC2N1C6179.8°179.7°
C2NBHH25H26120.0°179.9°
C2N3C4CAV177.2°180.0°
C2N3C4C54.1°0.3°
N3C2N1C60.9°0.2°
N3C2NBHH250.0°0.1°
N3C2NBHH26120.0°180.0°
C4N3C2N12.6°0.0°
N3C4CAVC5178.6°179.8°
N3C4CAVNAW174.0°155.8°
N3C4C5C62.3°0.3°
N3C4C5H24177.7°179.7°
FAZCAXNATFAY131.2°120.0°
FAZCAXNATH23113.5°120.0°
FAZCAXNATNAW44.4°150.0°
FAZCAXFAYH23114.9°120.0°
CABCAACAFCAE1.9°0.6°
CAACABCACCAD1.3°0.2°
CAACABCACH16178.7°179.8°
CABCAACAFH19178.0°179.7°
CABCAACAHH2026.1°157.7°
CABCAACAHH21146.3°37.7°
CAFCAACABCAC2.7°0.6°
CAACAFCAEH19180.0°179.8°
CAACAFCAECAD0.1°0.3°
CAACAFCAEH18179.8°179.7°
CAFCAACAHH20156.1°22.6°
CAFCAACAHH2136.0°142.5°
C2N1C6C52.7°0.2°
C2N1C6CL6179.7°179.8°
N1C2NBHH25179.3°180.0°
N1C2NBHH2660.7°0.1°
CABCACCADH16180.0°180.0°
CABCACCADCAE0.8°0.1°
CABCACCADH17179.2°180.0°
C4CAVNAWNAT179.3°179.7°
CAVC4C5C6179.0°180.0°
CAVC4C5H241.0°0.0°
NAWCAVC4C57.4°24.4°
CAVNAWNATCAX174.7°179.7°
C4C5C6N11.1°0.1°
C4C5C6H24180.0°180.0°
C4C5C6CL6178.7°180.0°
NATCAXFAYH23114.0°120.0°
CAXNATCAUH223.8°0.0°
NAWNATCAXFAY86.8°30.0°
NAWNATCAUH22179.1°180.0°
NAWNATCAXH23157.9°90.0°
N1C6C5CL6177.5°179.9°
N1C6C5H24178.9°179.9°
CL6C6C5H241.3°0.0°
CAFCAECADCAC1.5°0.1°
CAFCAECADH18180.0°180.0°
CAFCAECADH17178.5°180.0°
CACCADCAEH17180.0°179.9°
CACCADCAEH18178.5°179.9°
CAECADCACH16179.2°179.9°
CADCAECAFH19179.9°180.0°
H1OASCARH259.8°60.0°
H1OASCARH359.9°60.0°
H2CARCAMH424.5°57.7°
H3CARCAMH495.1°62.2°
H4CAMCANH529.0°176.9°
H4CAMCANH689.1°56.9°
H7CAPCAQH938.5°56.8°
H7CAPCAQH1080.0°177.0°
H8CAPCAQH9157.1°63.3°
H8CAPCAQH1038.6°56.8°
H12CAKCAJH1479.6°66.9°
H12CAKCAJH1540.1°173.1°
H13CAKCAJH14162.3°53.2°
H13CAKCAJH1578.0°66.8°
H16CACCADH170.8°0.0°
H17CADCAEH181.5°0.0°
H18CAECAFH190.1°0.0°

225946

PDB entries from 2024-10-09

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