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EE5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAACAIdoub1.22Å1.21Å
NAJCAIsing1.35Å1.40Å
NAJCAKsing1.36Å1.42Å
CAICAHsing1.47Å1.43Å
CALCAKsing1.51Å1.39Å
CALSAMsing1.81Å1.84Å
CAKNASdoub1.30Å1.34Å
CAHCAGdoub1.40Å1.44ÅAromatic
CAHCARsing1.41Å1.44ÅAromatic
CAGCAFsing1.37Å1.45ÅAromatic
NASCARsing1.36Å1.37Å
CARCAQdoub1.39Å1.44ÅAromatic
SAMCANsing1.76Å1.78Å
CAFCAEdoub1.40Å1.46ÅAromatic
CAQCAEsing1.39Å1.44ÅAromatic
CAQCAYsing1.51Å1.41Å
CAECADsing1.43Å1.52Å
CANCAOdoub1.39Å1.42ÅAromatic
CANCATsing1.39Å1.41ÅAromatic
CAOCAPsing1.37Å1.42ÅAromatic
CADCACtrip1.17Å1.29Å
CATCAUdoub1.37Å1.41ÅAromatic
CACCABsing1.47Å1.51Å
CAPCAVdoub1.40Å1.41ÅAromatic
CAUCAVsing1.40Å1.42ÅAromatic
CAVCAWsing1.47Å1.39Å
CAWOAZdoub1.21Å1.26Å
CAWOAXsing1.35Å1.27Å
CABH1sing1.09Å1.10Å
CABH2sing1.09Å1.10Å
CABH3sing1.09Å1.10Å
CAYH4sing1.09Å1.10Å
CAYH5sing1.09Å1.10Å
CAYH6sing1.09Å1.10Å
CAFH7sing1.08Å1.08Å
CAGH8sing1.08Å1.08Å
NAJH9sing0.97Å1.00Å
CALH10sing1.09Å1.10Å
CALH11sing1.09Å1.10Å
CAOH12sing1.08Å1.08Å
CAPH13sing1.08Å1.08Å
OAXH14sing0.97Å0.95Å
CAUH15sing1.08Å1.08Å
CATH16sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAACAINAJ115.2°121.2°
OAACAICAH124.9°121.3°
CAINAJCAK120.1°120.7°
NAJCAICAH119.8°117.4°
CAINAJH9119.9°119.7°
NAJCAKCAL122.2°118.3°
NAJCAKNAS120.1°123.3°
CAKNAJH9119.9°119.7°
CAICAHCAG125.0°121.8°
CAICAHCAR116.6°118.0°
CAKCALSAM109.8°109.5°
CALCAKNAS117.8°118.3°
CAKCALH10109.4°109.5°
CAKCALH11109.4°109.5°
CALSAMCAN109.6°103.0°
SAMCALH10109.4°109.5°
SAMCALH11109.4°109.5°
CAKNASCAR122.1°121.6°
CAGCAHCAR118.3°120.2°
CAHCAGCAF120.3°119.8°
CAHCAGH8119.8°120.0°
CAHCARNAS121.2°119.0°
CAHCARCAQ121.0°119.4°
CAGCAFCAE121.8°120.6°
CAGCAFH7119.1°119.7°
CAFCAGH8119.9°120.1°
NASCARCAQ117.8°121.6°
CARCAQCAE122.2°119.5°
CARCAQCAY118.0°120.3°
SAMCANCAO123.7°119.9°
SAMCANCAT118.2°119.9°
CAFCAECAQ116.4°120.5°
CAFCAECAD127.5°119.7°
CAECAFH7119.1°119.8°
CAECAQCAY119.8°120.2°
CAQCAECAD116.0°119.8°
CAQCAYH4109.5°109.5°
CAQCAYH5109.5°109.5°
CAQCAYH6109.5°109.5°
CAECADCAC179.9°179.9°
CAOCANCAT118.1°120.2°
CANCAOCAP122.0°120.0°
CANCAOH12119.0°120.0°
CANCATCAU120.6°120.1°
CANCATH16119.7°120.0°
CAOCAPCAV119.0°120.0°
CAPCAOH12119.0°120.0°
CAOCAPH13120.5°120.1°
CADCACCAB175.7°180.0°
CATCAUCAV120.8°119.9°
CATCAUH15119.6°120.0°
CAUCATH16119.7°120.0°
CACCABH1109.5°109.5°
CACCABH2109.5°109.5°
CACCABH3109.5°109.4°
CAPCAVCAU119.4°119.9°
CAPCAVCAW120.7°120.1°
CAVCAPH13120.5°120.0°
CAUCAVCAW119.9°120.1°
CAVCAUH15119.6°120.0°
CAVCAWOAZ119.3°120.0°
CAVCAWOAX119.3°120.0°
OAZCAWOAX121.4°120.0°
CAWOAXH14109.5°117.0°
H1CABH2109.4°109.4°
H1CABH3109.4°109.5°
H2CABH3109.5°109.5°
H4CAYH5109.4°109.4°
H4CAYH6109.5°109.4°
H5CAYH6109.5°109.5°
H10CALH11109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAACAINAJCAH178.7°179.9°
OAACAINAJCAK179.3°179.5°
OAACAICAHCAG0.6°0.1°
OAACAICAHCAR178.9°179.8°
OAACAINAJH90.7°0.1°
CAINAJCAKH9180.0°179.4°
CAINAJCAKCAL178.9°180.0°
CAINAJCAKNAS0.0°0.6°
NAJCAICAHCAG179.2°180.0°
NAJCAICAHCAR0.3°0.3°
CAKNAJCAICAH0.6°0.6°
NAJCAKCALNAS178.9°179.4°
NAJCAKCALSAM81.6°180.0°
NAJCAKNASCAR0.8°0.3°
NAJCAKCALH10158.4°60.0°
NAJCAKCALH1138.5°60.0°
CAICAHCAGCAR179.5°179.7°
CAICAHCAGCAF178.2°180.0°
CAICAHCARNAS0.4°0.0°
CAICAHCARCAQ179.1°180.0°
CAICAHCAGH81.8°0.1°
CAHCAINAJH9179.4°180.0°
CAKCALSAMH10120.1°120.0°
CAKCALSAMH11120.0°120.0°
CALCAKNASCAR178.2°179.7°
CAKCALSAMCAN82.2°180.0°
CALCAKNAJH91.1°0.6°
CAKCALH10H11119.9°120.0°
SAMCALCAKNAS97.4°0.6°
CALSAMCANCAO12.8°180.0°
CALSAMCANCAT167.5°0.3°
SAMCALH10H11119.8°120.0°
CAKNASCARCAH1.0°0.0°
CAKNASCARCAQ178.5°180.0°
NASCAKNAJH9180.0°179.9°
NASCAKCALH1022.7°120.6°
NASCAKCALH11142.6°119.4°
CAHCAGCAFH8180.0°179.9°
CAGCAHCARNAS180.0°179.7°
CAGCAHCARCAQ0.5°0.3°
CAHCAGCAFCAE1.4°0.0°
CAHCAGCAFH7178.6°180.0°
CARCAHCAGCAF1.3°0.3°
CAHCARNASCAQ179.6°180.0°
CAHCARCAQCAE0.4°0.0°
CAHCARCAQCAY178.2°180.0°
CARCAHCAGH8178.7°179.8°
CAGCAFCAEH7180.0°180.0°
CAGCAFCAECAQ0.5°0.3°
CAGCAFCAECAD179.9°180.0°
NASCARCAQCAE179.1°180.0°
NASCARCAQCAY1.4°0.0°
CARCAQCAECAF0.4°0.3°
CARCAQCAECAY177.7°180.0°
CARCAQCAECAD179.0°180.0°
CARCAQCAYH488.9°90.0°
CARCAQCAYH5151.1°30.0°
CARCAQCAYH631.1°150.1°
SAMCANCAOCAT179.8°179.7°
SAMCANCAOCAP179.8°180.0°
SAMCANCATCAU179.8°179.8°
CANSAMCALH1037.9°60.0°
CANSAMCALH11157.8°60.0°
SAMCANCAOH120.2°0.1°
SAMCANCATH160.2°0.0°
CAFCAECAQCAD179.4°179.7°
CAFCAECAQCAY178.1°179.7°
CAFCAECADCAC175.1°170.9°
CAECAFCAGH8178.6°179.9°
CAQCAECADCAC5.6°9.5°
CAECAQCAYH488.9°90.0°
CAECAQCAYH531.1°150.0°
CAECAQCAYH6151.1°29.9°
CAQCAECAFH7179.5°179.7°
CAYCAQCAECAD1.3°0.1°
CAQCAYH4H5120.0°120.0°
CAQCAYH4H6120.0°120.0°
CAQCAYH5H6120.0°120.1°
CAECADCACCAB18.0°153.9°
CADCAECAFH70.1°0.1°
CANCAOCAPH12180.0°179.9°
CAOCANCATCAU0.5°0.5°
CANCAOCAPCAV0.2°0.1°
CANCAOCAPH13179.8°179.9°
CAOCANCATH16179.5°179.7°
CATCANCAOCAP0.0°0.3°
CANCATCAUH16180.0°179.8°
CANCATCAUCAV0.6°0.5°
CATCANCAOH12180.0°179.7°
CANCATCAUH15179.4°179.7°
CAOCAPCAVH13180.0°180.0°
CAOCAPCAVCAU0.0°0.1°
CAOCAPCAVCAW179.8°180.0°
CADCACCABH1180.0°35.5°
CADCACCABH260.0°84.5°
CADCACCABH360.0°155.5°
CATCAUCAVCAP0.4°0.2°
CATCAUCAVH15180.0°179.8°
CATCAUCAVCAW179.4°179.8°
CACCABH1H2120.0°120.1°
CACCABH1H3120.0°120.0°
CACCABH2H3120.0°120.0°
CAPCAVCAUCAW179.8°180.0°
CAPCAVCAWOAZ0.2°0.1°
CAPCAVCAWOAX179.9°180.0°
CAVCAPCAOH12179.8°180.0°
CAPCAVCAUH15179.6°180.0°
CAUCAVCAWOAZ179.6°180.0°
CAUCAVCAWOAX0.1°0.0°
CAUCAVCAPH13180.0°180.0°
CAVCAUCATH16179.3°179.7°
CAVCAWOAZOAX179.7°179.9°
CAWCAVCAPH130.2°0.0°
CAVCAWOAXH14179.7°180.0°
CAWCAVCAUH150.6°0.0°
OAZCAWOAXH140.0°0.1°
H1CABH2H3119.9°120.0°
H4CAYH5H6120.0°119.9°
H7CAFCAGH81.4°0.0°
H12CAOCAPH130.2°0.0°
H15CAUCATH160.6°0.1°

224931

PDB entries from 2024-09-11

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