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JGL

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAUNATdoub1.31Å1.33ÅAromatic
CAUNAVsing1.35Å1.33ÅAromatic
NATCASsing1.34Å1.36ÅAromatic
NAVCAJsing1.38Å1.33ÅAromatic
CASCAJdoub1.36Å1.35ÅAromatic
CAJCAHsing1.47Å1.40Å
CAHCAIdoub1.36Å1.38ÅAromatic
CAHOAGsing1.35Å1.32ÅAromatic
CAICABsing1.46Å1.39ÅAromatic
OAGCAAsing1.34Å1.38ÅAromatic
CABCAAdoub1.40Å1.38ÅAromatic
CABCACsing1.46Å1.38Å
OALCACdoub1.22Å1.26Å
FBJCBEsing1.35Å1.30Å
CAACAFsing1.42Å1.35Å
CACNADsing1.35Å1.36Å
CBECBFsing1.38Å1.38ÅAromatic
CBECBDdoub1.39Å1.39ÅAromatic
CBFCBGdoub1.38Å1.38ÅAromatic
CAFCAKsing1.48Å1.41Å
CAFCAEdoub1.36Å1.38Å
NADCAEsing1.36Å1.40Å
NADCAMsing1.46Å1.49Å
OBCCBDsing1.36Å1.33Å
OBCCARsing1.36Å1.35Å
CBDCBIsing1.39Å1.38ÅAromatic
CAKCARdoub1.40Å1.40ÅAromatic
CAKCANsing1.39Å1.40ÅAromatic
CARCAQsing1.38Å1.40ÅAromatic
OAYSAXdoub1.42Å1.52Å
CBGFBKsing1.35Å1.36Å
CBGCBHsing1.39Å1.40ÅAromatic
CANCAOdoub1.39Å1.42ÅAromatic
CAQCAPdoub1.38Å1.39ÅAromatic
CAOCAPsing1.39Å1.39ÅAromatic
CAONAWsing1.40Å1.33Å
CBICBHdoub1.38Å1.39ÅAromatic
NAWSAXsing1.66Å1.62Å
SAXOAZdoub1.42Å1.51Å
SAXCBAsing1.81Å1.82Å
CBACBBsing1.53Å1.54Å
CBFH1sing1.08Å1.08Å
CBHH2sing1.08Å1.08Å
CBIH3sing1.08Å1.08Å
CAQH4sing1.08Å1.08Å
CAPH5sing1.08Å1.08Å
NAWH6sing0.97Å1.00Å
CBAH7sing1.09Å1.10Å
CBAH8sing1.09Å1.10Å
CBBH9sing1.09Å1.10Å
CBBH10sing1.09Å1.10Å
CBBH11sing1.09Å1.10Å
CANH12sing1.08Å1.08Å
CAEH13sing1.08Å1.08Å
CAMH14sing1.09Å1.10Å
CAMH15sing1.09Å1.10Å
CAMH16sing1.09Å1.10Å
CAIH17sing1.08Å1.08Å
CASH18sing1.08Å1.08Å
CAUH20sing1.08Å1.08Å
NAVH19sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NATCAUNAV107.7°109.0°
CAUNATCAS107.4°109.6°
NATCAUH20126.2°125.5°
CAUNAVCAJ110.4°107.1°
NAVCAUH20126.2°125.5°
CAUNAVH19124.8°126.5°
NATCASCAJ108.7°107.9°
NATCASH18125.6°126.1°
NAVCAJCAS105.8°106.4°
NAVCAJCAH128.4°126.8°
CAJNAVH19124.8°126.5°
CASCAJCAH125.7°126.8°
CAJCASH18125.6°126.0°
CAJCAHCAI133.9°125.2°
CAJCAHOAG119.9°125.3°
CAICAHOAG106.2°109.5°
CAHCAICAB110.2°105.9°
CAHCAIH17124.9°127.0°
CAHOAGCAA111.1°110.9°
CAICABCAA104.9°105.9°
CAICABCAC135.5°135.0°
CABCAIH17124.9°127.0°
OAGCAACAB107.6°107.7°
OAGCAACAF128.0°133.9°
CAACABCAC119.6°119.1°
CABCAACAF124.4°118.3°
CABCACOAL123.9°120.5°
CABCACNAD118.2°119.1°
OALCACNAD117.9°120.5°
FBJCBECBF116.6°120.1°
FBJCBECBD123.4°120.0°
CAACAFCAK122.2°119.9°
CAACAFCAE115.3°120.2°
CACNADCAE120.7°121.2°
CACNADCAM123.9°119.4°
CBFCBECBD119.9°119.9°
CBECBFCBG119.5°120.1°
CBECBFH1120.3°119.9°
CBECBDOBC116.2°120.0°
CBECBDCBI121.3°119.9°
CBFCBGFBK117.1°120.0°
CBFCBGCBH120.4°120.1°
CBGCBFH1120.3°120.0°
CAKCAFCAE122.3°119.9°
CAFCAKCAR122.2°120.1°
CAFCAKCAN121.3°120.1°
CAFCAENAD121.7°122.1°
CAFCAEH13119.2°118.9°
CAENADCAM115.3°119.4°
NADCAEH13119.1°119.0°
NADCAMH14109.5°109.5°
NADCAMH15109.5°109.5°
NADCAMH16109.5°109.5°
CBDOBCCAR128.9°118.0°
OBCCBDCBI122.5°120.1°
OBCCARCAK113.8°120.0°
OBCCARCAQ124.4°120.1°
CBDCBICBH118.5°120.0°
CBDCBIH3120.8°120.0°
CARCAKCAN116.5°119.7°
CAKCARCAQ121.8°119.9°
CAKCANCAO122.9°119.9°
CAKCANH12118.6°120.0°
CARCAQCAP120.5°120.2°
CARCAQH4119.7°119.9°
OAYSAXNAW113.2°104.2°
OAYSAXOAZ110.3°121.1°
OAYSAXCBA106.9°110.5°
FBKCBGCBH122.5°119.9°
CBGCBHCBI120.4°120.1°
CBGCBHH2119.8°119.9°
CANCAOCAP118.7°120.1°
CANCAONAW126.0°119.9°
CAOCANH12118.6°120.1°
CAQCAPCAO119.6°120.2°
CAPCAQH4119.7°119.9°
CAQCAPH5120.2°119.9°
CAPCAONAW115.3°120.0°
CAOCAPH5120.2°119.9°
CAONAWSAX125.3°119.9°
CAONAWH6105.4°120.0°
CBICBHH2119.8°120.0°
CBHCBIH3120.8°120.0°
NAWSAXOAZ107.6°104.3°
NAWSAXCBA108.9°104.4°
SAXNAWH6105.4°120.0°
OAZSAXCBA109.9°110.6°
SAXCBACBB106.9°109.5°
SAXCBAH7110.1°109.5°
SAXCBAH8110.1°109.5°
CBBCBAH7110.1°109.5°
CBBCBAH8110.1°109.5°
CBACBBH9109.5°109.5°
CBACBBH10109.5°109.5°
CBACBBH11109.5°109.5°
H7CBAH8109.4°109.5°
H9CBBH10109.5°109.5°
H9CBBH11109.5°109.4°
H10CBBH11109.5°109.5°
H14CAMH15109.4°109.5°
H14CAMH16109.5°109.4°
H15CAMH16109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NATCAUNAVH20180.0°179.8°
NATCAUNAVCAJ1.1°0.4°
CAUNATCASCAJ1.4°0.0°
CAUNATCASH18178.6°180.0°
NATCAUNAVH19178.9°179.9°
NAVCAUNATCAS0.2°0.2°
CAUNAVCAJH19180.0°179.7°
CAUNAVCAJCAS1.9°0.4°
CAUNAVCAJCAH179.9°179.9°
NATCASCAJNAV2.0°0.3°
NATCASCAJH18180.0°179.9°
NATCASCAJCAH179.9°180.0°
CASNATCAUH20179.8°180.0°
NAVCAJCASCAH178.1°179.7°
NAVCAJCAHCAI12.1°179.8°
NAVCAJCAHOAG166.6°0.8°
NAVCAJCASH18178.0°179.8°
CAJNAVCAUH20178.9°179.8°
CASCAJCAHCAI170.2°0.1°
CASCAJCAHOAG11.1°179.5°
CASCAJNAVH19178.1°179.9°
CAJCAHCAIOAG178.8°179.5°
CAJCAHCAICAB179.1°180.0°
CAJCAHOAGCAA179.1°179.7°
CAJCAHCAIH170.9°0.0°
CAHCAJCASH180.1°0.1°
CAHCAJNAVH190.1°0.2°
CAHCAICABH17180.0°180.0°
CAICAHOAGCAA0.0°0.8°
CAHCAICABCAA0.4°0.0°
CAHCAICABCAC179.9°179.3°
OAGCAHCAICAB0.2°0.5°
CAHOAGCAACAB0.2°0.8°
CAHOAGCAACAF178.2°179.7°
OAGCAHCAIH17179.8°179.5°
CAICABCAAOAG0.3°0.5°
CAICABCAACAC179.7°179.5°
CAICABCACOAL1.7°0.5°
CAICABCAACAF178.1°180.0°
CAICABCACNAD178.6°179.6°
OAGCAACABCAF178.5°179.6°
OAGCAACABCAC180.0°179.9°
OAGCAACAFCAK3.9°0.3°
OAGCAACAFCAE179.5°179.9°
CAACABCACOAL177.8°179.8°
CAACABCACNAD0.9°0.3°
CABCAACAFCAK178.0°179.8°
CABCAACAFCAE2.4°0.5°
CAACABCAIH17179.7°180.0°
CABCACOALNAD176.9°179.9°
CACCABCAACAF1.5°0.5°
CABCACNADCAE1.4°0.1°
CABCACNADCAM179.8°180.0°
CACCABCAIH170.1°0.7°
OALCACNADCAE178.4°180.0°
OALCACNADCAM2.8°0.0°
FBJCBECBFCBD177.7°179.8°
FBJCBECBFCBG179.8°180.0°
FBJCBECBDOBC2.3°0.1°
FBJCBECBDCBI178.9°179.7°
FBJCBECBFH10.2°0.1°
CAACAFCAKCAE175.3°179.8°
CAACAFCAENAD2.8°0.3°
CAACAFCAKCAR57.5°104.7°
CAACAFCAKCAN123.5°74.9°
CAACAFCAEH13177.2°179.8°
CACNADCAECAF2.4°0.1°
CACNADCAECAM178.9°179.9°
CACNADCAEH13177.6°180.0°
CACNADCAMH14180.0°90.0°
CACNADCAMH1560.0°30.1°
CACNADCAMH1660.0°150.1°
CBECBFCBGH1180.0°179.9°
CBFCBECBDOBC179.9°179.7°
CBFCBECBDCBI3.5°0.5°
CBECBFCBGFBK179.9°179.9°
CBECBFCBGCBH0.7°0.0°
CBDCBECBFCBG2.5°0.2°
CBECBDOBCCBI176.5°179.8°
CBECBDOBCCAR126.4°80.6°
CBECBDCBICBH2.7°0.6°
CBDCBECBFH1177.5°179.7°
CBECBDCBIH3177.3°179.7°
CBFCBGFBKCBH179.4°179.9°
CBFCBGCBHCBI0.1°0.1°
CBFCBGCBHH2179.9°179.9°
CAKCAFCAENAD178.4°180.0°
CAFCAKCAROBC0.0°0.0°
CAFCAKCARCAN179.0°179.7°
CAFCAKCARCAQ179.5°179.8°
CAFCAKCANCAO179.1°179.7°
CAFCAKCANH120.9°0.0°
CAKCAFCAEH131.6°0.0°
CAFCAENADH13180.0°180.0°
CAFCAENADCAM178.7°180.0°
CAECAFCAKCAR127.1°75.0°
CAECAFCAKCAN51.8°105.3°
CAENADCAMH141.2°90.0°
CAENADCAMH15118.8°150.0°
CAENADCAMH16121.2°30.0°
CAMNADCAEH131.3°0.0°
NADCAMH14H15120.0°120.1°
NADCAMH14H16120.0°120.0°
NADCAMH15H16120.0°120.0°
CBDOBCCARCAK148.6°174.7°
CBDOBCCARCAQ31.9°5.6°
OBCCBDCBICBH179.0°179.7°
OBCCBDCBIH31.0°0.0°
CAROBCCBDCBI57.1°99.2°
OBCCARCAKCAQ179.5°179.7°
OBCCARCAKCAN179.0°179.7°
OBCCARCAQCAP179.7°180.0°
OBCCARCAQH40.3°0.0°
CBDCBICBHCBG0.9°0.4°
CBDCBICBHH3180.0°179.7°
CBDCBICBHH2179.1°179.8°
CARCAKCANCAO1.9°0.6°
CAKCARCAQCAP0.3°0.3°
CAKCARCAQH4179.7°179.7°
CARCAKCANH12178.1°179.7°
CANCAKCARCAQ1.5°0.6°
CAKCANCAOH12180.0°179.7°
CAKCANCAOCAP1.0°0.4°
CAKCANCAONAW179.1°179.7°
CARCAQCAPH4180.0°180.0°
CARCAQCAPCAO0.7°0.0°
CARCAQCAPH5179.3°180.0°
OAYSAXNAWCAO54.9°179.0°
OAYSAXNAWOAZ122.1°127.9°
OAYSAXNAWCBA118.8°116.0°
OAYSAXOAZCBA117.6°131.5°
OAYSAXCBACBB179.6°68.4°
OAYSAXNAWH6177.1°1.0°
OAYSAXCBAH760.8°171.6°
OAYSAXCBAH860.0°51.6°
FBKCBGCBHCBI179.3°180.0°
FBKCBGCBFH10.1°0.0°
FBKCBGCBHH20.8°0.1°
CBGCBHCBIH2180.0°179.9°
CBHCBGCBFH1179.3°179.9°
CBGCBHCBIH3179.1°180.0°
CANCAOCAPCAQ0.3°0.1°
CANCAOCAPNAW179.9°179.9°
CANCAONAWSAX0.8°135.1°
CANCAOCAPH5179.6°180.0°
CANCAONAWH6122.9°45.0°
CAQCAPCAOH5180.0°180.0°
CAQCAPCAONAW179.6°180.0°
CAPCAONAWSAX179.1°45.0°
CAOCAPCAQH4179.3°180.0°
CAPCAONAWH656.9°135.0°
CAPCAOCANH12179.0°179.9°
CAONAWSAXH6122.1°180.0°
CAONAWSAXOAZ177.0°51.0°
CAONAWSAXCBA63.9°65.0°
NAWCAOCAPH50.5°0.1°
NAWCAOCANH120.9°0.0°
NAWSAXOAZCBA118.5°111.7°
NAWSAXCBACBB57.0°180.0°
NAWSAXCBAH7176.6°60.0°
NAWSAXCBAH862.6°60.0°
OAZSAXCBACBB60.7°68.4°
OAZSAXNAWH660.9°128.9°
OAZSAXCBAH758.9°51.6°
OAZSAXCBAH8179.7°171.6°
SAXCBACBBH7119.6°120.0°
SAXCBACBBH8119.6°120.0°
CBASAXNAWH658.2°115.0°
SAXCBAH7H8121.2°120.0°
SAXCBACBBH9180.0°60.0°
SAXCBACBBH1060.0°60.0°
SAXCBACBBH1160.0°180.0°
CBBCBAH7H8121.2°120.0°
CBACBBH9H10120.0°120.0°
CBACBBH9H11120.0°120.0°
CBACBBH10H11120.0°120.0°
H2CBHCBIH30.9°0.1°
H4CAQCAPH50.7°0.0°
H7CBACBBH960.4°180.0°
H7CBACBBH10179.6°60.0°
H7CBACBBH1159.6°60.0°
H8CBACBBH960.4°60.0°
H8CBACBBH1059.6°180.0°
H8CBACBBH11179.6°60.0°
H9CBBH10H11120.0°120.0°
H14CAMH15H16120.0°119.9°
H20CAUNAVH191.1°0.1°

248335

PDB entries from 2026-01-28

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