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JFR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBOCAQsing1.53Å1.55Å
OBNCAQsing1.43Å1.48Å
CAQCBMsing1.53Å1.54Å
CAQCAMsing1.51Å1.45Å
CAMCALdoub1.38Å1.41ÅAromatic
CAMCANsing1.38Å1.40ÅAromatic
CALCAJsing1.39Å1.41ÅAromatic
CANCAOdoub1.38Å1.39ÅAromatic
CBBNBCsing1.34Å1.34ÅAromatic
CBBCAKdoub1.36Å1.34ÅAromatic
NBCCBDdoub1.31Å1.34ÅAromatic
CBHCBGsing1.55Å1.49Å
CBHCBIsing1.54Å1.55Å
CAJCAFsing1.48Å1.42Å
CAJCAPdoub1.40Å1.40ÅAromatic
CBGCBFsing1.55Å1.55Å
CAOCAPsing1.39Å1.40ÅAromatic
OAGCAAsing1.34Å1.35ÅAromatic
OAGCAHsing1.35Å1.28ÅAromatic
CAFCAAsing1.42Å1.34Å
CAFCAEdoub1.36Å1.40Å
CAKCAHsing1.47Å1.36Å
CAKNBEsing1.38Å1.33ÅAromatic
CAACABdoub1.40Å1.34ÅAromatic
CAHCAIdoub1.36Å1.34ÅAromatic
CBACAXsing1.51Å1.39Å
CAENADsing1.36Å1.41Å
CBDNBEsing1.35Å1.33ÅAromatic
CBDCBFsing1.51Å1.57Å
CAPOARsing1.36Å1.36Å
CABCAIsing1.46Å1.34ÅAromatic
CABCACsing1.46Å1.36Å
NADCACsing1.35Å1.34Å
NADCBLsing1.46Å1.48Å
CACOBKdoub1.22Å1.24Å
CBFCBJsing1.54Å1.54Å
CBICBJsing1.54Å1.51Å
OARCASsing1.36Å1.36Å
CAXCASdoub1.39Å1.41ÅAromatic
CAXCAWsing1.38Å1.40ÅAromatic
CASCATsing1.39Å1.40ÅAromatic
CAWCAVdoub1.38Å1.39ÅAromatic
CATCAZsing1.51Å1.40Å
CATCAUdoub1.38Å1.40ÅAromatic
CAVCAUsing1.38Å1.40ÅAromatic
CAVFAYsing1.35Å1.31Å
CBGH1sing1.09Å1.10Å
CBGH2sing1.09Å1.10Å
CBHH3sing1.09Å1.10Å
CBHH4sing1.09Å1.10Å
CBIH5sing1.09Å1.10Å
CBIH6sing1.09Å1.10Å
CBJH7sing1.09Å1.10Å
CBJH8sing1.09Å1.10Å
CBFH9sing1.09Å1.10Å
NBEH10sing0.97Å1.00Å
CBBH12sing1.08Å1.08Å
CAIH13sing1.08Å1.08Å
CBLH14sing1.09Å1.10Å
CBLH15sing1.09Å1.10Å
CBLH16sing1.09Å1.10Å
CAEH17sing1.08Å1.08Å
CALH18sing1.08Å1.08Å
CBMH19sing1.09Å1.10Å
CBMH20sing1.09Å1.10Å
CBMH21sing1.09Å1.10Å
CBOH22sing1.09Å1.10Å
CBOH23sing1.09Å1.10Å
CBOH24sing1.09Å1.10Å
OBNH25sing0.97Å0.95Å
CANH26sing1.08Å1.08Å
CAOH27sing1.08Å1.08Å
CAZH28sing1.09Å1.10Å
CAZH29sing1.09Å1.10Å
CAZH30sing1.09Å1.10Å
CAUH31sing1.08Å1.08Å
CAWH32sing1.08Å1.08Å
CBAH33sing1.09Å1.10Å
CBAH34sing1.09Å1.10Å
CBAH35sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBOCAQOBN102.5°109.5°
CBOCAQCBM110.7°109.5°
CBOCAQCAM112.9°109.5°
CAQCBOH22109.5°109.5°
CAQCBOH23109.4°109.5°
CAQCBOH24109.5°109.5°
OBNCAQCBM110.8°109.5°
OBNCAQCAM115.0°109.5°
CAQOBNH25109.5°114.0°
CBMCAQCAM105.1°109.5°
CAQCBMH19109.5°109.5°
CAQCBMH20109.5°109.5°
CAQCBMH21109.5°109.5°
CAQCAMCAL123.7°119.9°
CAQCAMCAN120.1°119.9°
CALCAMCAN116.1°120.2°
CAMCALCAJ124.1°120.0°
CAMCALH18118.0°120.0°
CAMCANCAO121.5°120.3°
CAMCANH26119.3°119.9°
CALCAJCAF118.0°120.2°
CALCAJCAP117.3°119.7°
CAJCALH18118.0°120.0°
CANCAOCAP121.0°120.1°
CAOCANH26119.2°119.9°
CANCAOH27119.5°120.0°
NBCCBBCAK107.7°107.9°
CBBNBCCBD106.8°109.6°
NBCCBBH12126.1°126.1°
CBBCAKCAH127.3°126.8°
CBBCAKNBE108.8°106.4°
CAKCBBH12126.1°126.0°
NBCCBDNBE109.7°109.1°
NBCCBDCBF129.3°125.5°
CBGCBHCBI98.7°104.2°
CBHCBGCBF104.6°102.8°
CBHCBGH1110.7°110.8°
CBHCBGH2110.7°111.0°
CBGCBHH3112.1°110.5°
CBGCBHH4112.1°110.5°
CBHCBICBJ104.9°106.6°
CBICBHH3112.1°110.5°
CBICBHH4112.1°110.4°
CBHCBIH5110.6°110.0°
CBHCBIH6110.6°110.1°
CAFCAJCAP124.7°120.2°
CAJCAFCAA123.9°119.9°
CAJCAFCAE118.9°119.9°
CAJCAPCAO120.0°119.8°
CAJCAPOAR115.2°120.1°
CBGCBFCBD112.7°110.5°
CBGCBFCBJ105.9°104.2°
CBFCBGH1110.7°110.7°
CBFCBGH2110.7°110.7°
CBGCBFH9108.5°110.5°
CAOCAPOAR124.8°120.1°
CAPCAOH27119.5°120.0°
CAAOAGCAH109.4°110.9°
OAGCAACAF130.5°133.9°
OAGCAACAB107.7°107.7°
OAGCAHCAK124.7°125.2°
OAGCAHCAI108.1°109.5°
CAACAFCAE117.1°120.1°
CAFCAACAB121.9°118.4°
CAFCAENAD121.1°122.1°
CAFCAEH17119.4°118.9°
CAHCAKNBE123.9°126.8°
CAKCAHCAI127.3°125.3°
CAKNBECBD106.9°107.0°
CAKNBEH10126.5°126.4°
CAACABCAI105.7°105.9°
CAACABCAC121.7°119.1°
CAHCAICAB109.2°106.0°
CAHCAIH13125.4°127.1°
CBACAXCAS122.4°120.0°
CBACAXCAW119.1°120.0°
CAXCBAH33109.5°109.5°
CAXCBAH34109.5°109.5°
CAXCBAH35109.5°109.5°
CAENADCAC118.5°121.2°
CAENADCBL120.7°119.4°
NADCAEH17119.5°119.0°
NBECBDCBF120.9°125.5°
CBDNBEH10126.5°126.5°
CBDCBFCBJ112.8°110.4°
CBDCBFH9108.2°110.5°
CAPOARCAS121.1°118.0°
CAICABCAC132.6°135.0°
CABCAIH13125.4°127.0°
CABCACNAD119.7°119.1°
CABCACOBK122.8°120.5°
CACNADCBL120.8°119.4°
NADCACOBK117.5°120.5°
NADCBLH14109.5°109.5°
NADCBLH15109.5°109.5°
NADCBLH16109.5°109.5°
CBFCBJCBI102.8°106.6°
CBFCBJH7111.1°110.0°
CBFCBJH8111.1°110.1°
CBJCBFH9108.6°110.5°
CBJCBIH5110.6°110.0°
CBJCBIH6110.6°110.0°
CBICBJH7111.1°110.0°
CBICBJH8111.1°110.0°
OARCASCAX120.3°120.0°
OARCASCAT117.5°120.0°
CASCAXCAW118.4°119.9°
CAXCASCAT122.2°119.9°
CAXCAWCAV120.0°120.1°
CAXCAWH32120.0°120.0°
CASCATCAZ122.7°120.0°
CASCATCAU118.1°119.9°
CAWCAVCAU120.6°120.0°
CAWCAVFAY120.4°120.0°
CAVCAWH32120.0°120.0°
CAZCATCAU119.2°120.0°
CATCAZH28109.5°109.5°
CATCAZH29109.5°109.5°
CATCAZH30109.4°109.5°
CATCAUCAV120.7°120.1°
CATCAUH31119.6°120.0°
CAUCAVFAY118.9°120.0°
CAVCAUH31119.7°120.0°
H1CBGH2109.5°110.6°
H3CBHH4109.5°110.6°
H5CBIH6109.5°110.1°
H7CBJH8109.4°110.1°
H14CBLH15109.5°109.5°
H14CBLH16109.4°109.4°
H15CBLH16109.5°109.5°
H19CBMH20109.5°109.5°
H19CBMH21109.5°109.4°
H20CBMH21109.5°109.5°
H22CBOH23109.5°109.5°
H22CBOH24109.4°109.4°
H23CBOH24109.5°109.4°
H28CAZH29109.5°109.4°
H28CAZH30109.5°109.4°
H29CAZH30109.5°109.5°
H33CBAH34109.5°109.5°
H33CBAH35109.4°109.4°
H34CBAH35109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBOCAQOBNCBM118.1°120.0°
CBOCAQOBNCAM122.9°120.0°
CBOCAQCBMCAM122.2°120.0°
CBOCAQCAMCAL127.5°90.0°
CBOCAQCAMCAN55.2°90.0°
CBOCAQCBMH19180.0°60.0°
CBOCAQCBMH2060.0°60.0°
CBOCAQCBMH2160.0°180.0°
CAQCBOH22H23120.0°120.1°
CAQCBOH22H24120.0°120.0°
CAQCBOH23H24120.0°120.0°
CBOCAQOBNH25180.0°180.0°
OBNCAQCBMCAM124.8°120.0°
OBNCAQCAMCAL10.3°30.0°
OBNCAQCAMCAN172.4°150.0°
OBNCAQCBMH1967.0°180.0°
OBNCAQCBMH20173.0°60.0°
OBNCAQCBMH2153.0°60.0°
OBNCAQCBOH22180.0°179.9°
OBNCAQCBOH2360.0°60.0°
OBNCAQCBOH2460.0°60.0°
CBMCAQCAMCAL111.8°150.0°
CBMCAQCAMCAN65.5°30.0°
CAQCBMH19H20120.0°120.0°
CAQCBMH19H21120.0°120.0°
CAQCBMH20H21120.0°120.0°
CBMCAQCBOH2261.9°60.0°
CBMCAQCBOH23178.1°180.0°
CBMCAQCBOH2458.1°60.0°
CBMCAQOBNH2561.9°60.1°
CAQCAMCALCAN177.4°180.0°
CAQCAMCALCAJ179.2°180.0°
CAQCAMCANCAO179.7°180.0°
CAQCAMCALH180.8°0.0°
CAMCAQCBMH1957.7°60.0°
CAMCAQCBMH2062.3°180.0°
CAMCAQCBMH21177.8°60.0°
CAMCAQCBOH2255.7°60.1°
CAMCAQCBOH2364.3°60.0°
CAMCAQCBOH24175.7°180.0°
CAMCAQOBNH2557.1°60.0°
CAQCAMCANH260.4°0.0°
CAMCALCAJH18180.0°180.0°
CALCAMCANCAO2.2°0.0°
CAMCALCAJCAF180.0°180.0°
CAMCALCAJCAP0.3°0.3°
CALCAMCANH26177.8°180.0°
CANCAMCALCAJ1.8°0.0°
CAMCANCAOH26180.0°180.0°
CAMCANCAOCAP1.1°0.3°
CANCAMCALH18178.2°180.0°
CAMCANCAOH27178.9°180.0°
CALCAJCAFCAP179.7°179.7°
CALCAJCAPCAO0.9°0.6°
CALCAJCAFCAA117.8°74.6°
CALCAJCAFCAE60.0°105.4°
CALCAJCAPOAR179.8°179.7°
CANCAOCAPCAJ0.5°0.5°
CANCAOCAPH27180.0°179.8°
CANCAOCAPOAR179.8°179.7°
NBCCBBCAKH12180.0°179.8°
NBCCBBCAKCAH179.2°180.0°
NBCCBBCAKNBE0.1°0.4°
CBBNBCCBDNBE0.2°0.0°
CBBNBCCBDCBF179.8°179.7°
CAKCBBNBCCBD0.2°0.3°
CBBCAKCAHOAG24.0°179.7°
CBBCAKCAHNBE179.2°179.5°
CBBCAKCAHCAI155.6°0.1°
CBBCAKNBECBD0.0°0.4°
CBBCAKNBEH10179.9°179.7°
NBCCBDCBFCBG56.3°94.7°
NBCCBDNBECAK0.1°0.3°
NBCCBDNBECBF179.6°179.6°
NBCCBDCBFCBJ63.6°150.5°
NBCCBDCBFH9176.2°28.0°
NBCCBDNBEH10179.9°179.9°
CBDNBCCBBH12179.8°180.0°
CBGCBHCBIH3118.2°118.7°
CBGCBHCBIH4118.2°118.7°
CBHCBGCBFH1119.2°118.3°
CBHCBGCBFH2119.2°118.6°
CBHCBGCBFCBD100.3°156.6°
CBHCBGCBFCBJ23.5°37.9°
CBGCBHCBICBJ47.9°23.6°
CBHCBGH1H2122.3°123.5°
CBGCBHH3H4125.0°122.7°
CBGCBHCBIH571.4°142.9°
CBGCBHCBIH6167.2°95.7°
CBHCBGCBFH9139.9°80.7°
CBICBHCBGCBF42.3°37.9°
CBHCBICBJCBF33.4°0.0°
CBHCBICBJH5119.3°119.2°
CBHCBICBJH6119.3°119.3°
CBICBHCBGH1161.5°80.3°
CBICBHCBGH276.9°156.4°
CBICBHH3H4125.0°122.6°
CBHCBIH5H6122.1°121.5°
CBHCBICBJH785.6°119.3°
CBHCBICBJH8152.3°119.3°
CAFCAJCAPCAO178.8°179.8°
CAJCAFCAAOAG2.8°0.1°
CAJCAFCAACAE177.8°180.0°
CAJCAFCAACAB178.2°179.9°
CAJCAFCAENAD178.2°179.9°
CAFCAJCAPOAR0.5°0.0°
CAJCAFCAEH171.8°0.1°
CAFCAJCALH180.0°0.1°
CAJCAPCAOOAR179.2°179.8°
CAPCAJCAFCAA62.5°105.0°
CAPCAJCAFCAE119.7°75.0°
CAJCAPOARCAS169.4°180.0°
CAPCAJCALH18179.7°179.7°
CAJCAPCAOH27179.5°179.7°
CBGCBFCBDNBE123.3°84.9°
CBGCBFCBDCBJ119.8°114.8°
CBGCBFCBDH9120.0°122.7°
CBGCBFCBJH9116.3°118.7°
CBGCBFCBJCBI6.6°23.6°
CBFCBGH1H2122.2°123.2°
CBFCBGCBHH3160.5°80.7°
CBFCBGCBHH475.9°156.6°
CBGCBFCBJH7112.3°142.8°
CBGCBFCBJH8125.5°95.7°
CAOCAPOARCAS11.4°0.2°
CAPCAOCANH26178.9°179.7°
OAGCAACAFCAB179.0°179.9°
OAGCAACAFCAE179.3°179.9°
CAAOAGCAHCAK179.3°179.9°
CAAOAGCAHCAI0.3°0.3°
OAGCAACABCAI0.4°0.1°
OAGCAACABCAC179.6°180.0°
CAHOAGCAACAF179.5°180.0°
OAGCAHCAKCAI179.6°179.6°
OAGCAHCAKNBE156.8°0.8°
CAHOAGCAACAB0.5°0.1°
OAGCAHCAICAB0.1°0.3°
OAGCAHCAIH13179.9°179.7°
CAACAFCAENAD0.3°0.2°
CAFCAACABCAI179.6°179.9°
CAFCAACABCAC0.4°0.1°
CAACAFCAEH17179.7°179.8°
CAECAFCAACAB0.4°0.2°
CAFCAENADH17180.0°180.0°
CAFCAENADCAC0.2°0.0°
CAFCAENADCBL180.0°179.9°
CAHCAKNBECBD179.3°180.0°
CAKCAHCAICAB179.5°180.0°
CAHCAKNBEH100.7°0.1°
CAHCAKCBBH120.8°0.2°
CAKCAHCAIH130.5°0.1°
NBECAKCAHCAI23.6°179.6°
CAKNBECBDH10180.0°179.8°
CAKNBECBDCBF179.7°179.9°
NBECAKCBBH12179.9°179.8°
CAACABCAICAH0.2°0.2°
CAACABCAICAC180.0°179.9°
CAACABCACNAD0.3°0.1°
CAACABCACOBK179.4°179.9°
CAACABCAIH13179.8°179.8°
CAHCAICABH13180.0°180.0°
CAHCAICABCAC179.8°179.9°
CBACAXCASOAR1.5°0.0°
CBACAXCASCAW178.8°179.8°
CBACAXCASCAT179.8°179.8°
CBACAXCAWCAV180.0°179.7°
CBACAXCAWH320.1°0.0°
CAXCBAH33H34120.0°120.1°
CAXCBAH33H35120.0°120.0°
CAXCBAH34H35120.0°120.0°
CAENADCACCAB0.2°0.1°
CAENADCACCBL179.8°179.9°
CAENADCACOBK179.4°179.9°
CAENADCBLH14180.0°180.0°
CAENADCBLH1560.0°60.0°
CAENADCBLH1660.0°60.1°
NBECBDCBFCBJ116.9°29.9°
NBECBDCBFH93.3°152.4°
CBDCBFCBJH9120.0°122.6°
CBDCBFCBJCBI130.3°142.3°
CBDCBFCBGH118.9°38.2°
CBDCBFCBGH2140.5°84.8°
CBDCBFCBJH711.3°98.4°
CBDCBFCBJH8110.8°23.0°
CBFCBDNBEH100.3°0.2°
CAPOARCASCAX70.6°90.2°
CAPOARCASCAT110.7°89.9°
OARCAPCAOH270.2°0.1°
CAICABCACNAD179.7°180.0°
CAICABCACOBK0.6°0.0°
CABCACNADOBK179.2°180.0°
CABCACNADCBL180.0°180.0°
CACCABCAIH130.2°0.1°
CACNADCBLH140.1°0.1°
CACNADCBLH15120.2°119.9°
CACNADCBLH16119.8°120.0°
CACNADCAEH17179.8°180.0°
CBLNADCACOBK0.8°0.0°
NADCBLH14H15120.0°120.0°
NADCBLH14H16120.0°120.0°
NADCBLH15H16120.0°120.1°
CBLNADCAEH170.0°0.1°
CBFCBJCBIH7119.0°119.3°
CBFCBJCBIH8118.9°119.3°
CBJCBFCBGH1142.7°80.4°
CBJCBFCBGH295.8°156.5°
CBFCBJCBIH585.9°119.2°
CBFCBJCBIH6152.6°119.3°
CBFCBJH7H8123.1°121.5°
CBJCBICBHH3166.1°95.1°
CBJCBICBHH470.3°142.3°
CBJCBIH5H6122.1°121.4°
CBICBJH7H8123.1°121.4°
CBICBJCBFH9109.8°95.1°
OARCASCAXCAT178.7°179.8°
OARCASCAXCAW179.7°179.7°
OARCASCATCAZ0.1°0.1°
OARCASCATCAU178.9°180.0°
CASCAXCAWCAV1.2°0.5°
CAXCASCATCAZ178.8°179.7°
CAXCASCATCAU0.2°0.2°
CASCAXCAWH32178.8°179.8°
CASCAXCBAH3389.3°90.0°
CASCAXCBAH34150.6°150.0°
CASCAXCBAH3530.6°30.0°
CAWCAXCASCAT1.0°0.4°
CAXCAWCAVH32180.0°179.7°
CAXCAWCAVCAU0.6°0.3°
CAXCAWCAVFAY179.3°179.7°
CAWCAXCBAH3389.5°89.8°
CAWCAXCBAH3430.6°30.3°
CAWCAXCBAH35150.6°150.3°
CASCATCAZCAU179.0°179.9°
CASCATCAUCAV0.4°0.0°
CASCATCAZH2889.5°89.9°
CASCATCAZH29150.6°150.1°
CASCATCAZH3030.5°30.0°
CASCATCAUH31179.5°180.0°
CAWCAVCAUCAT0.2°0.0°
CAWCAVCAUFAY179.9°180.0°
CAWCAVCAUH31179.8°180.0°
CAZCATCAUCAV179.4°180.0°
CATCAZH28H29120.0°120.0°
CATCAZH28H30120.0°120.0°
CATCAZH29H30120.0°120.0°
CAZCATCAUH310.5°0.1°
CATCAUCAVH31180.0°180.0°
CATCAUCAVFAY179.9°180.0°
CAUCATCAZH2889.5°90.0°
CAUCATCAZH2930.5°30.0°
CAUCATCAZH30150.5°150.1°
CAUCAVCAWH32179.4°180.0°
FAYCAVCAUH310.1°0.0°
FAYCAVCAWH320.7°0.0°
H1CBGCBHH380.3°161.0°
H1CBGCBHH443.3°38.3°
H1CBGCBFH9100.9°160.9°
H2CBGCBHH341.3°37.7°
H2CBGCBHH4164.9°85.0°
H2CBGCBFH920.6°37.8°
H3CBHCBIH546.9°24.2°
H3CBHCBIH674.6°145.7°
H4CBHCBIH5170.4°98.5°
H4CBHCBIH649.0°23.0°
H5CBICBJH7155.1°0.0°
H5CBICBJH833.0°121.4°
H6CBICBJH733.7°121.4°
H6CBICBJH888.4°0.0°
H7CBJCBFH9131.3°24.1°
H8CBJCBFH99.2°145.6°
H14CBLH15H16120.0°119.9°
H19CBMH20H21120.0°120.0°
H22CBOH23H24120.0°119.9°
H26CANCAOH271.1°0.1°
H28CAZH29H30120.0°119.9°
H33CBAH34H35120.0°119.9°

222415

PDB entries from 2024-07-10

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