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3F2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAVNAZsing1.47Å1.47Å
CAVCATsing1.54Å1.58Å
NAZCBFdoub1.29Å1.32Å
CATNAXsing1.47Å1.28Å
CBFNAXsing1.37Å1.32Å
CBFCBLsing1.48Å1.31Å
CAHCBLdoub1.39Å1.32ÅAromatic
CAHCADsing1.38Å1.33ÅAromatic
CBLCARsing1.39Å1.38ÅAromatic
CADCAFdoub1.38Å1.32ÅAromatic
CARCBHdoub1.39Å1.38ÅAromatic
CAFCBHsing1.39Å1.35ÅAromatic
CBHNBBsing1.40Å1.30Å
NBBCBDsing1.35Å1.41Å
OABCBDdoub1.22Å1.20Å
CBDCBJsing1.48Å1.35Å
CBJCAKdoub1.40Å1.36ÅAromatic
CBJCALsing1.40Å1.36ÅAromatic
CAKCAOsing1.38Å1.42ÅAromatic
CALCAPdoub1.38Å1.39ÅAromatic
CAOCBNdoub1.40Å1.35ÅAromatic
CAPCBNsing1.40Å1.36ÅAromatic
CBNCBMsing1.48Å1.37Å
CBMCAMdoub1.40Å1.33ÅAromatic
CBMCANsing1.39Å1.35ÅAromatic
CAMCAIsing1.38Å1.33ÅAromatic
CANCAJdoub1.38Å1.39ÅAromatic
CAICBIdoub1.40Å1.32ÅAromatic
CAJCBIsing1.40Å1.39ÅAromatic
CBICBCsing1.48Å1.38Å
CBCOAAdoub1.22Å1.22Å
CBCNBAsing1.35Å1.30Å
NBACBGsing1.40Å1.32Å
CBGCAQdoub1.39Å1.36ÅAromatic
CBGCAEsing1.39Å1.38ÅAromatic
CAQCBKsing1.39Å1.40ÅAromatic
CAECACdoub1.38Å1.39ÅAromatic
NAYCAUsing1.47Å1.49Å
NAYCBEsing1.37Å1.36Å
CACCAGsing1.38Å1.38ÅAromatic
CBKCBEsing1.48Å1.30Å
CBKCAGdoub1.39Å1.37ÅAromatic
CAUCASsing1.54Å1.53Å
CBENAWdoub1.29Å1.36Å
NAWCASsing1.47Å1.46Å
NAYH1sing0.97Å1.00Å
CAUH3sing1.09Å1.10Å
CAUH4sing1.09Å1.10Å
CASH5sing1.09Å1.10Å
CASH6sing1.09Å1.10Å
CAQH10sing1.08Å1.08Å
CAGH11sing1.08Å1.08Å
CACH12sing1.08Å1.08Å
CAEH13sing1.08Å1.08Å
NBAH14sing0.97Å1.00Å
CAJH15sing1.08Å1.08Å
CANH16sing1.08Å1.08Å
CAIH17sing1.08Å1.08Å
CAMH18sing1.08Å1.08Å
CAPH19sing1.08Å1.08Å
CALH20sing1.08Å1.08Å
CAOH21sing1.08Å1.08Å
CAKH22sing1.08Å1.08Å
NBBH23sing0.97Å1.00Å
CARH24sing1.08Å1.08Å
CAFH25sing1.08Å1.08Å
CADH26sing1.08Å1.08Å
CAHH27sing1.08Å1.08Å
NAXH28sing0.97Å1.00Å
CATH29sing1.09Å1.10Å
CAVH30sing1.09Å1.10Å
CATH2sing1.09Å1.10Å
CAVH7sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NAZCAVCAT104.0°104.1°
CAVNAZCBF104.6°110.1°
NAZCAVH30110.8°110.5°
NAZCAVH7110.8°110.5°
CAVCATNAX101.6°103.2°
CAVCATH29111.4°110.6°
CATCAVH30110.8°110.8°
CAVCATH2111.4°110.8°
CATCAVH7110.8°110.2°
NAZCBFNAX113.0°114.2°
NAZCBFCBL122.9°122.9°
CATNAXCBF116.2°108.3°
CATNAXH28121.9°125.9°
NAXCATH29111.4°110.6°
NAXCATH2111.4°110.6°
NAXCBFCBL123.4°122.9°
CBFNAXH28121.9°125.8°
CBFCBLCAH110.9°120.1°
CBFCBLCAR126.7°120.1°
CBLCAHCAD120.7°120.0°
CAHCBLCAR122.5°119.9°
CBLCAHH27119.7°120.0°
CAHCADCAF116.5°120.2°
CAHCADH26121.8°119.9°
CADCAHH27119.6°120.0°
CBLCARCBH118.0°119.8°
CBLCARH24121.0°120.1°
CADCAFCBH127.5°120.2°
CADCAFH25116.3°119.9°
CAFCADH26121.8°119.9°
CARCBHCAF114.9°120.0°
CARCBHNBB131.8°120.0°
CBHCARH24121.0°120.1°
CAFCBHNBB113.3°120.0°
CBHCAFH25116.2°119.9°
CBHNBBCBD118.5°120.0°
CBHNBBH23120.8°119.9°
NBBCBDOAB125.8°120.0°
NBBCBDCBJ120.1°120.0°
CBDNBBH23120.7°120.0°
OABCBDCBJ113.8°120.0°
CBDCBJCAK121.6°120.0°
CBDCBJCAL122.2°120.1°
CAKCBJCAL116.1°119.9°
CBJCAKCAO124.8°119.9°
CBJCAKH22117.6°120.0°
CBJCALCAP119.9°120.0°
CBJCALH20120.1°119.9°
CAKCAOCBN117.7°120.1°
CAKCAOH21121.1°120.0°
CAOCAKH22117.6°120.0°
CALCAPCBN123.9°120.0°
CALCAPH19118.1°120.0°
CAPCALH20120.1°120.1°
CAOCBNCAP117.6°120.0°
CAOCBNCBM128.8°120.0°
CBNCAOH21121.2°119.9°
CAPCBNCBM113.7°120.0°
CBNCAPH19118.1°120.0°
CBNCBMCAM110.4°120.0°
CBNCBMCAN131.2°119.9°
CAMCBMCAN118.5°120.1°
CBMCAMCAI124.8°120.0°
CBMCAMH18117.6°120.0°
CBMCANCAJ118.3°120.0°
CBMCANH16120.8°120.0°
CAMCAICBI118.6°120.0°
CAMCAIH17120.7°120.0°
CAICAMH18117.6°120.0°
CANCAJCBI120.2°120.0°
CANCAJH15119.9°120.0°
CAJCANH16120.8°120.0°
CAICBICAJ119.5°119.9°
CAICBICBC107.7°120.1°
CBICAIH17120.7°120.0°
CAJCBICBC132.8°120.0°
CBICAJH15119.9°120.0°
CBICBCOAA115.8°120.0°
CBICBCNBA121.0°120.0°
OAACBCNBA122.3°120.0°
CBCNBACBG116.6°120.0°
CBCNBAH14121.7°120.0°
NBACBGCAQ121.0°120.0°
NBACBGCAE122.4°120.0°
CBGNBAH14121.7°120.0°
CAQCBGCAE116.6°120.0°
CBGCAQCBK122.1°119.8°
CBGCAQH10118.9°120.1°
CBGCAECAC121.8°120.2°
CBGCAEH13119.1°119.9°
CAQCBKCBE118.1°120.1°
CAQCBKCAG121.3°119.8°
CBKCAQH10118.9°120.1°
CAECACCAG121.2°120.2°
CAECACH12119.4°119.8°
CACCAEH13119.1°119.9°
CAUNAYCBE97.2°108.3°
NAYCAUCAS101.3°103.2°
CAUNAYH1131.4°125.8°
NAYCAUH3111.5°110.7°
NAYCAUH4111.5°110.7°
NAYCBECBK121.6°122.9°
NAYCBENAW114.3°114.2°
CBENAYH1131.4°125.9°
CACCAGCBK116.9°120.0°
CACCAGH11121.5°120.0°
CAGCACH12119.4°119.9°
CBECBKCAG120.4°120.1°
CBKCBENAW123.6°122.9°
CBKCAGH11121.5°120.0°
CAUCASNAW96.5°104.1°
CASCAUH3111.5°110.7°
CASCAUH4111.5°110.6°
CAUCASH5112.6°110.5°
CAUCASH6112.6°110.5°
CBENAWCAS106.5°110.1°
NAWCASH5112.6°110.5°
NAWCASH6112.6°110.6°
H3CAUH4109.4°110.7°
H5CASH6109.5°110.4°
H29CATH2109.5°110.7°
H30CAVH7109.5°110.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NAZCAVCATH30119.1°118.8°
NAZCAVCATH7119.1°118.5°
NAZCAVCATNAX7.1°0.2°
CAVNAZCBFNAX7.3°0.4°
CAVNAZCBFCBL177.3°179.9°
NAZCAVCATH29125.8°118.6°
NAZCAVH30H7122.5°122.7°
NAZCAVCATH2111.6°118.3°
CATCAVNAZCBF8.5°0.4°
CAVCATNAXH29118.7°118.4°
CAVCATNAXH2118.7°118.6°
CAVCATNAXCBF3.3°0.0°
CAVCATNAXH28176.8°180.0°
CAVCATH29H2123.7°123.2°
CATCAVH30H7122.6°122.5°
NAZCBFNAXCAT2.5°0.3°
NAZCBFNAXCBL170.0°179.7°
NAZCBFCBLCAH13.4°179.7°
NAZCBFCBLCAR167.1°0.1°
NAZCBFNAXH28177.5°179.7°
CBFNAZCAVH30110.6°118.6°
CBFNAZCAVH7127.6°118.7°
CATNAXCBFH28180.0°180.0°
CATNAXCBFCBL172.4°180.0°
NAXCATH29H2123.6°123.0°
NAXCATCAVH30112.0°118.6°
NAXCATCAVH7126.2°118.7°
NAXCBFCBLCAH155.6°0.0°
NAXCBFCBLCAR23.9°179.7°
CBFNAXCATH29122.0°118.4°
CBFNAXCATH2115.5°118.6°
CBFCBLCAHCAR179.5°179.8°
CBFCBLCAHCAD179.0°180.0°
CBFCBLCARCBH180.0°179.8°
CBFCBLCARH240.0°0.2°
CBFCBLCAHH271.0°0.3°
CBLCBFNAXH287.5°0.0°
CBLCAHCADH27180.0°179.7°
CBLCAHCADCAF1.6°0.3°
CAHCBLCARCBH0.6°0.0°
CAHCBLCARH24179.4°180.0°
CBLCAHCADH26178.4°179.7°
CADCAHCBLCAR0.5°0.2°
CAHCADCAFH26180.0°180.0°
CAHCADCAFCBH1.7°0.0°
CAHCADCAFH25178.3°180.0°
CBLCARCBHH24180.0°180.0°
CBLCARCBHCAF0.5°0.2°
CBLCARCBHNBB178.6°180.0°
CARCBLCAHH27179.5°180.0°
CADCAFCBHCAR0.7°0.2°
CADCAFCBHH25180.0°179.9°
CADCAFCBHNBB177.8°180.0°
CAFCADCAHH27178.4°180.0°
CARCBHCAFNBB178.5°179.8°
CARCBHNBBCBD176.5°33.1°
CARCBHNBBH233.5°146.9°
CARCBHCAFH25179.3°179.7°
CAFCBHNBBCBD5.4°147.0°
CAFCBHNBBH23174.6°32.9°
CAFCBHCARH24179.5°179.8°
CBHCAFCADH26178.3°180.0°
CBHNBBCBDH23180.0°180.0°
CBHNBBCBDOAB9.3°5.1°
CBHNBBCBDCBJ176.9°174.8°
NBBCBHCARH241.4°0.0°
NBBCBHCAFH252.2°0.1°
NBBCBDOABCBJ174.1°179.9°
NBBCBDCBJCAK161.9°179.9°
NBBCBDCBJCAL15.0°0.3°
OABCBDCBJCAK12.6°0.0°
OABCBDCBJCAL170.5°179.7°
OABCBDNBBH23170.7°174.9°
CBDCBJCAKCAL177.1°179.7°
CBDCBJCAKCAO177.4°180.0°
CBDCBJCALCAP179.7°180.0°
CBDCBJCALH200.2°0.1°
CBDCBJCAKH222.6°0.0°
CBJCBDNBBH233.1°5.2°
CBJCAKCAOH22180.0°180.0°
CAKCBJCALCAP3.2°0.2°
CBJCAKCAOCBN1.9°0.1°
CAKCBJCALH20176.8°179.8°
CBJCAKCAOH21178.1°180.0°
CALCBJCAKCAO0.3°0.3°
CBJCALCAPH20180.0°180.0°
CBJCALCAPCBN4.3°0.0°
CBJCALCAPH19175.7°180.0°
CALCBJCAKH22179.7°179.7°
CAKCAOCBNH21180.0°179.9°
CAKCAOCBNCAP1.0°0.1°
CAKCAOCBNCBM179.0°180.0°
CALCAPCBNCAO2.0°0.2°
CALCAPCBNH19180.0°180.0°
CALCAPCBNCBM178.0°180.0°
CAOCBNCAPCBM180.0°179.8°
CAOCBNCBMCAM176.3°0.2°
CAOCBNCBMCAN3.6°179.5°
CAOCBNCAPH19178.0°179.8°
CBNCAOCAKH22178.1°179.9°
CAPCBNCBMCAM3.7°180.0°
CAPCBNCBMCAN176.4°0.3°
CBNCAPCALH20175.7°180.0°
CAPCBNCAOH21179.0°179.7°
CBNCBMCAMCAN179.9°179.8°
CBNCBMCAMCAI179.5°180.0°
CBNCBMCANCAJ179.2°180.0°
CBNCBMCANH160.8°0.0°
CBNCBMCAMH180.5°0.0°
CBMCBNCAPH192.0°0.0°
CBMCBNCAOH211.0°0.1°
CBMCAMCAIH18180.0°180.0°
CAMCBMCANCAJ0.7°0.2°
CBMCAMCAICBI0.3°0.0°
CAMCBMCANH16179.3°179.8°
CBMCAMCAIH17179.7°180.0°
CANCBMCAMCAI0.7°0.2°
CBMCANCAJH16180.0°180.0°
CBMCANCAJCBI2.3°0.0°
CBMCANCAJH15177.7°180.0°
CANCBMCAMH18179.4°179.8°
CAMCAICBIH17180.0°180.0°
CAMCAICBICAJ1.4°0.2°
CAMCAICBICBC179.6°180.0°
CANCAJCBICAI2.7°0.2°
CANCAJCBIH15180.0°180.0°
CANCAJCBICBC179.7°180.0°
CAICBICAJCBC177.6°179.8°
CAICBICBCOAA16.1°179.7°
CAICBICBCNBA153.1°0.2°
CAICBICAJH15177.3°179.8°
CBICAICAMH18179.8°180.0°
CAJCBICBCOAA161.7°0.1°
CAJCBICBCNBA29.2°180.0°
CBICAJCANH16177.7°180.0°
CAJCBICAIH17178.6°179.8°
CBICBCOAANBA169.0°179.9°
CBICBCNBACBG178.6°174.9°
CBICBCNBAH141.4°5.0°
CBCCBICAJH150.3°0.0°
CBCCBICAIH170.5°0.0°
OAACBCNBACBG13.0°5.2°
OAACBCNBAH14167.0°174.9°
CBCNBACBGH14180.0°179.9°
CBCNBACBGCAQ5.4°33.1°
CBCNBACBGCAE176.6°146.9°
NBACBGCAQCAE178.2°180.0°
NBACBGCAQCBK176.0°180.0°
NBACBGCAECAC178.6°179.7°
NBACBGCAQH104.0°0.1°
NBACBGCAEH131.4°0.0°
CBGCAQCBKH10180.0°179.9°
CAQCBGCAECAC0.5°0.3°
CBGCAQCBKCBE179.0°180.0°
CBGCAQCBKCAG3.6°0.3°
CAQCBGCAEH13179.5°179.9°
CAQCBGNBAH14174.7°146.9°
CAECBGCAQCBK2.2°0.0°
CBGCAECACH13180.0°179.6°
CBGCAECACCAG1.9°0.3°
CAECBGCAQH10177.8°179.9°
CBGCAECACH12178.1°179.7°
CAECBGNBAH143.4°33.2°
CAQCBKCBENAY4.7°179.7°
CAQCBKCAGCAC2.1°0.2°
CAQCBKCBECAG175.4°179.7°
CAQCBKCBENAW176.3°0.3°
CAQCBKCAGH11177.9°179.7°
CAECACCAGH12180.0°180.0°
CAECACCAGCBK0.6°0.1°
CAECACCAGH11179.5°180.0°
CAUNAYCBEH1180.0°179.8°
CAUNAYCBECBK142.2°180.0°
NAYCAUCASH3118.7°118.5°
NAYCAUCASH4118.7°118.4°
CAUNAYCBENAW30.1°0.0°
NAYCAUCASNAW45.2°0.0°
NAYCAUH3H4123.8°123.1°
NAYCAUCASH5163.0°118.7°
NAYCAUCASH672.6°118.8°
NAYCBECBKNAW171.6°180.0°
NAYCBECBKCAG170.7°0.0°
CBENAYCAUCAS45.9°0.0°
NAYCBENAWCAS1.1°0.0°
CBENAYCAUH372.8°118.4°
CBENAYCAUH4164.6°118.4°
CACCAGCBKCBE177.4°180.0°
CACCAGCBKH11180.0°179.9°
CAGCACCAEH13178.1°180.0°
CBKCBENAWCAS171.1°180.0°
CBKCBENAYH137.8°0.3°
CBECBKCAQH101.0°0.1°
CBECBKCAGH112.6°0.1°
CAGCBKCBENAW0.9°180.0°
CAGCBKCAQH10176.4°179.8°
CBKCAGCACH12179.4°180.0°
CAUCASNAWCBE27.7°0.0°
CAUCASNAWH5117.8°118.7°
CAUCASNAWH6117.8°118.7°
CASCAUNAYH1134.1°179.7°
CASCAUH3H4123.8°123.1°
CAUCASH5H6126.1°122.6°
NAWCBENAYH1149.9°179.7°
CBENAWCASH5145.5°118.7°
CBENAWCASH690.1°118.8°
NAWCASCAUH373.5°118.5°
NAWCASCAUH4163.9°118.4°
NAWCASH5H6126.1°122.7°
H1NAYCAUH3107.2°61.8°
H1NAYCAUH415.4°61.3°
H3CAUCASH544.3°0.2°
H3CAUCASH6168.7°122.7°
H4CAUCASH578.3°122.9°
H4CAUCASH646.1°0.4°
H11CAGCACH120.5°0.1°
H12CACCAEH131.9°0.1°
H15CAJCANH162.3°0.0°
H17CAICAMH180.2°0.0°
H19CAPCALH204.3°0.1°
H21CAOCAKH221.9°0.0°
H25CAFCADH261.7°0.0°
H26CADCAHH271.6°0.0°
H28NAXCATH2958.1°61.6°
H28NAXCATH264.5°61.4°
H29CATCAVH306.7°0.2°
H29CATCAVH7115.1°122.9°
H30CAVCATH2129.3°122.9°
H2CATCAVH77.5°0.2°

222415

PDB entries from 2024-07-10

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