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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBANAJdoub1.32Å1.34ÅAromatic
CBACAYsing1.38Å1.39ÅAromatic
NAJCATsing1.32Å1.35ÅAromatic
CAYCAUdoub1.39Å1.40ÅAromatic
CATCANdoub1.38Å1.40ÅAromatic
CAUCANsing1.39Å1.39ÅAromatic
CANSAAsing1.76Å1.63Å
CAZCAWdoub1.38Å1.40ÅAromatic
CAZCAXsing1.38Å1.39ÅAromatic
CAWCARsing1.38Å1.39ÅAromatic
CAXCASdoub1.38Å1.38ÅAromatic
CARFABsing1.35Å1.35Å
CARCAMdoub1.40Å1.39ÅAromatic
SAAOADdoub1.42Å1.44Å
SAAOACdoub1.42Å1.44Å
SAANAIsing1.66Å1.62Å
CASCAMsing1.39Å1.40ÅAromatic
CAMCALsing1.48Å1.49Å
NAICALsing1.37Å1.33ÅAromatic
NAICAOsing1.36Å1.34ÅAromatic
CALCAQdoub1.36Å1.39ÅAromatic
CAOCAPdoub1.35Å1.40ÅAromatic
CAQCAPsing1.40Å1.40ÅAromatic
CAPCAVsing1.51Å1.53Å
CAVNAKsing1.47Å1.48Å
NAKCBBsing1.47Å1.47Å
CAOH1sing1.08Å1.08Å
CAQH2sing1.08Å1.08Å
CASH3sing1.08Å1.08Å
CATH4sing1.08Å1.08Å
CAUH5sing1.08Å1.08Å
CAVH6sing1.09Å1.10Å
CAVH7sing1.09Å1.10Å
CAWH8sing1.08Å1.08Å
CAXH9sing1.08Å1.08Å
CAYH10sing1.08Å1.08Å
CAZH11sing1.08Å1.08Å
CBAH12sing1.08Å1.08Å
CBBH13sing1.09Å1.10Å
CBBH14sing1.09Å1.10Å
CBBH15sing1.09Å1.10Å
NAKH16sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NAJCBACAY119.2°120.8°
CBANAJCAT121.1°121.7°
NAJCBAH12120.4°119.6°
CBACAYCAU120.3°119.2°
CBACAYH10119.8°120.5°
CAYCBAH12120.4°119.6°
NAJCATCAN122.9°120.8°
NAJCATH4118.6°119.6°
CAYCAUCAN120.5°118.4°
CAYCAUH5119.8°120.8°
CAUCAYH10119.8°120.4°
CATCANCAU116.0°119.2°
CATCANSAA122.6°120.5°
CANCATH4118.6°119.6°
CAUCANSAA121.4°120.4°
CANCAUH5119.8°120.8°
CANSAAOAD112.8°106.4°
CANSAAOAC112.2°106.4°
CANSAANAI109.9°107.2°
CAWCAZCAX121.1°120.3°
CAZCAWCAR120.8°120.1°
CAZCAWH8119.6°119.9°
CAWCAZH11119.5°119.8°
CAZCAXCAS117.3°120.2°
CAZCAXH9121.4°119.9°
CAXCAZH11119.4°119.9°
CAWCARFAB119.1°120.1°
CAWCARCAM118.4°119.8°
CARCAWH8119.6°119.9°
CAXCASCAM122.5°119.9°
CAXCASH3118.8°120.0°
CASCAXH9121.3°119.9°
FABCARCAM122.6°120.1°
CARCAMCAS119.9°119.7°
CARCAMCAL122.9°120.1°
OADSAAOAC103.1°123.1°
OADSAANAI112.1°106.4°
OACSAANAI106.4°106.5°
SAANAICAL124.0°125.6°
SAANAICAO121.8°125.7°
CASCAMCAL117.2°120.2°
CAMCASH3118.8°120.1°
CAMCALNAI129.2°126.1°
CAMCALCAQ126.1°126.1°
CALNAICAO114.2°108.6°
NAICALCAQ104.6°107.8°
NAICAOCAP105.7°108.5°
NAICAOH1127.1°125.7°
CALCAQCAP108.9°107.4°
CALCAQH2125.6°126.3°
CAOCAPCAQ106.6°107.7°
CAOCAPCAV126.7°126.1°
CAPCAOH1127.2°125.8°
CAQCAPCAV126.8°126.2°
CAPCAQH2125.5°126.3°
CAPCAVNAK112.8°109.5°
CAPCAVH6108.6°109.5°
CAPCAVH7108.6°109.5°
CAVNAKCBB107.9°111.0°
NAKCAVH6108.7°109.5°
NAKCAVH7108.6°109.5°
CAVNAKH16109.9°111.0°
NAKCBBH13109.5°109.5°
NAKCBBH14109.5°109.5°
NAKCBBH15109.5°109.5°
CBBNAKH16109.9°111.0°
H6CAVH7109.5°109.5°
H13CBBH14109.5°109.5°
H13CBBH15109.5°109.5°
H14CBBH15109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NAJCBACAYH12180.0°179.7°
NAJCBACAYCAU0.5°0.3°
CBANAJCATCAN1.2°0.0°
CBANAJCATH4178.8°180.0°
NAJCBACAYH10179.4°179.7°
CAYCBANAJCAT1.0°0.3°
CBACAYCAUH10180.0°179.9°
CBACAYCAUCAN0.2°0.1°
CBACAYCAUH5179.8°180.0°
NAJCATCANH4180.0°180.0°
NAJCATCANCAU0.8°0.3°
NAJCATCANSAA180.0°180.0°
CATNAJCBAH12179.0°180.0°
CAYCAUCANCAT0.3°0.3°
CAYCAUCANH5180.0°180.0°
CAYCAUCANSAA179.5°180.0°
CAUCAYCBAH12179.5°180.0°
CATCANCAUSAA179.2°179.7°
CATCANSAAOAD24.6°29.4°
CATCANSAAOAC140.6°162.3°
CATCANSAANAI101.2°84.1°
CATCANCAUH5179.7°179.7°
CAUCANSAAOAD156.2°150.3°
CAUCANSAAOAC40.3°17.4°
CAUCANSAANAI77.9°96.2°
CAUCANCATH4179.2°179.7°
CANCAUCAYH10179.8°180.0°
CANSAAOADOAC121.3°122.9°
CANSAAOADNAI124.7°114.1°
CANSAAOACNAI120.2°114.1°
CANSAANAICAL62.9°105.0°
CANSAANAICAO117.1°75.0°
SAACANCATH40.0°0.0°
SAACANCAUH50.5°0.0°
CAWCAZCAXH11180.0°179.7°
CAZCAWCARH8180.0°180.0°
CAWCAZCAXCAS0.3°0.3°
CAZCAWCARFAB179.9°179.9°
CAZCAWCARCAM0.4°0.0°
CAWCAZCAXH9179.7°179.6°
CAXCAZCAWCAR0.1°0.3°
CAZCAXCASH9180.0°180.0°
CAZCAXCASCAM1.1°0.0°
CAZCAXCASH3178.9°180.0°
CAXCAZCAWH8179.9°179.7°
CAWCARFABCAM179.7°179.9°
CAWCARCAMCAS1.2°0.3°
CAWCARCAMCAL177.9°180.0°
CARCAWCAZH11179.9°180.0°
CAXCASCAMCAR1.7°0.3°
CAXCASCAMH3180.0°180.0°
CAXCASCAMCAL178.5°180.0°
CASCAXCAZH11179.7°179.9°
FABCARCAMCAS179.0°179.8°
FABCARCAMCAL2.4°0.1°
FABCARCAWH80.1°0.1°
CARCAMCASCAL176.8°179.7°
CARCAMCALNAI122.6°114.4°
CARCAMCALCAQ61.6°65.2°
CARCAMCASH3178.4°179.7°
CAMCARCAWH8179.6°180.0°
OADSAAOACNAI118.1°122.9°
OADSAANAICAL63.4°141.5°
OADSAANAICAO116.6°38.6°
OACSAANAICAL175.4°8.6°
OACSAANAICAO4.6°171.5°
SAANAICALCAM2.6°0.3°
SAANAICALCAO180.0°180.0°
SAANAICALCAQ179.1°180.0°
SAANAICAOCAP179.3°179.8°
SAANAICAOH10.7°0.1°
CASCAMCALNAI60.7°65.8°
CASCAMCALCAQ115.1°114.5°
CAMCASCAXH9178.9°179.9°
CAMCALNAICAQ176.5°179.7°
CAMCALNAICAO177.4°179.7°
CAMCALCAQCAP177.4°180.0°
CAMCALCAQH22.7°0.1°
CALCAMCASH31.5°0.1°
CALNAICAOCAP0.8°0.2°
NAICALCAQCAP0.7°0.3°
CALNAICAOH1179.3°179.9°
NAICALCAQH2179.3°179.8°
CAONAICALCAQ0.9°0.1°
NAICAOCAPH1180.0°179.7°
NAICAOCAPCAQ0.2°0.4°
NAICAOCAPCAV179.6°179.7°
CALCAQCAPCAO0.3°0.4°
CALCAQCAPH2180.0°179.9°
CALCAQCAPCAV179.0°179.6°
CAOCAPCAQCAV179.3°180.0°
CAOCAPCAVNAK83.5°90.0°
CAOCAPCAQH2179.7°179.7°
CAOCAPCAVH6156.0°150.0°
CAOCAPCAVH737.0°30.0°
CAQCAPCAVNAK97.3°90.0°
CAQCAPCAOH1179.8°180.0°
CAQCAPCAVH623.2°30.0°
CAQCAPCAVH7142.2°150.0°
CAPCAVNAKH6120.5°120.0°
CAPCAVNAKH7120.5°120.0°
CAPCAVNAKCBB69.9°180.0°
CAVCAPCAOH10.4°0.0°
CAVCAPCAQH21.0°0.3°
CAPCAVH6H7118.5°120.0°
CAPCAVNAKH16170.4°56.1°
CAVNAKCBBH16119.8°124.0°
NAKCAVH6H7118.5°120.0°
CAVNAKCBBH13180.0°60.0°
CAVNAKCBBH1460.0°60.0°
CAVNAKCBBH1560.0°180.0°
CBBNAKCAVH650.6°60.0°
CBBNAKCAVH7169.6°60.0°
NAKCBBH13H14120.0°120.0°
NAKCBBH13H15120.0°120.0°
NAKCBBH14H15120.0°120.0°
H3CASCAXH91.1°0.0°
H5CAUCAYH100.2°0.1°
H6CAVNAKH1669.1°176.0°
H7CAVNAKH1649.9°63.9°
H8CAWCAZH110.1°0.0°
H9CAXCAZH110.3°0.1°
H10CAYCBAH120.5°0.1°
H13CBBH14H15120.0°120.0°
H13CBBNAKH1660.2°176.0°
H14CBBNAKH16179.7°63.9°
H15CBBNAKH1659.8°56.0°

222624

PDB entries from 2024-07-17

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