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77X

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NABNAAsing1.40Å1.24ÅAromatic
NABCACsing1.35Å1.34ÅAromatic
NAACAEdoub1.32Å1.34ÅAromatic
CACCAFsing1.51Å1.52Å
CACCADdoub1.35Å1.38ÅAromatic
CAOCANdoub1.38Å1.40ÅAromatic
CAOCAJsing1.39Å1.39ÅAromatic
CAFCAGsing1.53Å1.54Å
CAECAJsing1.48Å1.41Å
CAECADsing1.40Å1.38ÅAromatic
CANCAMsing1.38Å1.39ÅAromatic
CAJCAKdoub1.39Å1.41ÅAromatic
CADCAIsing1.51Å1.52Å
CAGNAHsing1.47Å1.48Å
CAMCALdoub1.38Å1.38ÅAromatic
OAQCAPdoub1.21Å1.23Å
CAKCALsing1.38Å1.41ÅAromatic
NAHCAIsing1.47Å1.48Å
NAHCAPsing1.35Å1.33Å
CAPCARsing1.51Å1.55Å
CARCASsing1.53Å1.51Å
CASH1sing1.09Å1.10Å
CASH2sing1.09Å1.10Å
CASH3sing1.09Å1.10Å
CARH4sing1.09Å1.10Å
CARH5sing1.09Å1.10Å
CAGH6sing1.09Å1.10Å
CAGH7sing1.09Å1.10Å
CAFH8sing1.09Å1.10Å
CAFH9sing1.09Å1.10Å
CAIH10sing1.09Å1.10Å
CAIH11sing1.09Å1.10Å
NABH12sing0.97Å1.00Å
CAKH13sing1.08Å1.08Å
CALH14sing1.08Å1.08Å
CAMH15sing1.08Å1.08Å
CANH16sing1.08Å1.08Å
CAOH17sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NAANABCAC108.9°108.1°
NABNAACAE113.4°108.1°
NAANABH12125.6°125.9°
NABCACCAF128.8°127.7°
NABCACCAD107.3°107.9°
CACNABH12125.6°125.9°
NAACAECAJ128.6°126.1°
NAACAECAD104.6°107.9°
CAFCACCAD123.9°124.4°
CACCAFCAG108.5°108.8°
CACCAFH8109.7°109.6°
CACCAFH9109.7°109.7°
CACCADCAE105.8°108.0°
CACCADCAI124.1°124.0°
CANCAOCAJ118.8°119.9°
CAOCANCAM124.1°120.1°
CAOCANH16117.9°119.9°
CANCAOH17120.6°120.1°
CAOCAJCAE121.1°120.1°
CAOCAJCAK116.5°119.7°
CAJCAOH17120.6°120.0°
CAFCAGNAH107.1°109.2°
CAFCAGH6110.0°109.4°
CAFCAGH7110.0°109.6°
CAGCAFH8109.7°109.7°
CAGCAFH9109.7°109.5°
CAJCAECAD126.7°126.0°
CAECAJCAK122.2°120.1°
CAECADCAI130.1°128.0°
CANCAMCAL117.7°120.2°
CANCAMH15121.1°119.9°
CAMCANH16118.0°119.9°
CAJCAKCAL124.2°119.9°
CAJCAKH13117.9°120.1°
CADCAINAH103.8°107.2°
CADCAIH10110.9°109.9°
CADCAIH11110.8°110.0°
CAGNAHCAI116.5°118.4°
CAGNAHCAP118.7°120.8°
NAHCAGH6110.1°109.5°
NAHCAGH7110.1°109.5°
CAMCALCAK118.6°120.1°
CAMCALH14120.7°120.0°
CALCAMH15121.2°119.8°
OAQCAPNAH119.5°120.0°
OAQCAPCAR118.4°120.0°
CALCAKH13117.9°120.1°
CAKCALH14120.7°119.9°
CAINAHCAP124.2°120.8°
NAHCAIH10110.9°109.9°
NAHCAIH11110.9°109.9°
NAHCAPCAR121.8°120.0°
CAPCARCAS112.0°109.4°
CAPCARH4108.8°109.4°
CAPCARH5108.9°109.4°
CARCASH1109.5°109.5°
CARCASH2109.5°109.4°
CARCASH3109.5°109.5°
CASCARH4108.9°109.5°
CASCARH5108.8°109.5°
H1CASH2109.5°109.4°
H1CASH3109.4°109.5°
H2CASH3109.5°109.5°
H4CARH5109.5°109.5°
H6CAGH7109.5°109.5°
H8CAFH9109.5°109.6°
H10CAIH11109.5°109.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NAANABCACH12180.0°179.7°
NAANABCACCAF179.0°179.7°
NAANABCACCAD1.2°0.5°
NABNAACAECAJ176.9°179.9°
NABNAACAECAD0.8°0.3°
CACNABNAACAE1.2°0.5°
NABCACCAFCAD179.7°179.7°
NABCACCAFCAG166.3°162.2°
NABCACCADCAE0.7°0.3°
NABCACCADCAI179.6°180.0°
NABCACCAFH846.5°42.3°
NABCACCAFH973.8°78.1°
NAACAECADCAC0.0°0.0°
NAACAECAJCAO26.8°144.6°
NAACAECAJCAD175.3°179.5°
NAACAECAJCAK147.2°35.1°
NAACAECADCAI179.7°179.6°
CAENAANABH12178.7°179.8°
CACCAFCAGH8119.8°119.8°
CACCAFCAGH9119.9°119.9°
CAFCACCADCAE179.5°179.9°
CAFCACCADCAI0.2°0.3°
CACCAFCAGNAH44.8°45.4°
CACCAFCAGH674.8°74.6°
CACCAFCAGH7164.4°165.3°
CACCAFH8H9120.4°120.4°
CAFCACNABH121.0°0.0°
CADCACCAFCAG14.0°17.6°
CACCADCAECAJ176.2°179.6°
CACCADCAECAI179.7°179.6°
CACCADCAINAH17.3°10.6°
CADCACCAFH8133.8°137.5°
CADCACCAFH9105.9°102.2°
CACCADCAIH10136.4°130.0°
CACCADCAIH11101.7°108.9°
CADCACNABH12178.8°179.8°
CANCAOCAJH17180.0°179.4°
CANCAOCAJCAE176.6°179.7°
CAOCANCAMH16180.0°179.7°
CANCAOCAJCAK2.3°0.6°
CAOCANCAMCAL0.4°0.4°
CAOCANCAMH15179.6°179.7°
CAOCAJCAECAK174.0°179.7°
CAOCAJCAECAD157.9°34.9°
CAJCAOCANCAM1.6°0.6°
CAOCAJCAKCAL2.1°0.3°
CAOCAJCAKH13177.9°179.7°
CAJCAOCANH16178.4°179.7°
CAFCAGNAHH6119.6°119.9°
CAFCAGNAHH7119.6°120.0°
CAFCAGNAHCAI73.0°64.4°
CAFCAGNAHCAP98.5°115.3°
CAFCAGH6H7121.1°120.1°
CAGCAFH8H9120.5°120.2°
CAJCAECADCAI3.4°0.0°
CAECAJCAKCAL176.3°180.0°
CAECAJCAKH133.7°0.0°
CAECAJCAOH173.4°0.3°
CADCAECAJCAK28.2°145.4°
CAECADCAINAH163.0°169.0°
CAECADCAIH1043.9°49.5°
CAECADCAIH1177.9°71.6°
CANCAMCALH15180.0°180.0°
CANCAMCALCAK0.0°0.1°
CANCAMCALH14180.0°180.0°
CAMCANCAOH17178.4°180.0°
CAJCAKCALCAM0.9°0.0°
CAJCAKCALH13180.0°180.0°
CAJCAKCALH14179.1°180.0°
CAKCAJCAOH17177.7°179.9°
CADCAINAHCAG55.1°43.9°
CADCAINAHH10119.1°119.4°
CADCAINAHH11119.1°119.5°
CADCAINAHCAP115.9°135.8°
CADCAIH10H11122.6°121.1°
CAGNAHCAPOAQ0.7°179.7°
CAGNAHCAICAP171.0°179.7°
CAGNAHCAPCAR173.0°0.3°
NAHCAGH6H7121.1°120.2°
NAHCAGCAFH8164.6°165.2°
NAHCAGCAFH975.1°74.5°
CAGNAHCAIH10174.2°163.3°
CAGNAHCAIH1164.0°75.6°
CAMCALCAKH14180.0°180.0°
CAMCALCAKH13179.1°180.0°
CALCAMCANH16179.6°180.0°
OAQCAPNAHCAI171.5°0.0°
OAQCAPNAHCAR173.7°179.9°
OAQCAPCARCAS112.0°0.0°
OAQCAPCARH48.4°120.0°
OAQCAPCARH5127.6°120.0°
CAKCALCAMH15180.0°180.0°
CAINAHCAPCAR2.2°180.0°
CAINAHCAGH646.6°55.4°
CAINAHCAGH7167.4°175.6°
NAHCAIH10H11122.6°121.1°
NAHCAPCARCAS74.2°180.0°
NAHCAPCARH4165.4°60.0°
NAHCAPCARH546.2°60.0°
CAPNAHCAGH6141.9°124.9°
CAPNAHCAGH721.1°4.7°
CAPNAHCAIH103.2°16.4°
CAPNAHCAIH11125.0°104.7°
CAPCARCASH4120.4°120.0°
CAPCARCASH5120.4°120.0°
CAPCARCASH1180.0°60.0°
CAPCARCASH260.0°180.0°
CAPCARCASH360.0°60.0°
CAPCARH4H5118.9°120.0°
CARCASH1H2120.0°119.9°
CARCASH1H3120.0°120.1°
CARCASH2H3120.0°120.1°
CASCARH4H5118.8°120.1°
H1CASH2H3120.0°120.0°
H1CASCARH459.6°180.0°
H1CASCARH559.6°59.9°
H2CASCARH4179.6°60.1°
H2CASCARH560.4°60.0°
H3CASCARH460.4°60.0°
H3CASCARH5179.6°180.0°
H6CAGCAFH845.0°45.3°
H6CAGCAFH9165.3°165.6°
H7CAGCAFH875.8°74.8°
H7CAGCAFH944.5°45.4°
H13CAKCALH140.9°0.0°
H14CALCAMH150.0°0.0°
H15CAMCANH160.4°0.0°
H16CANCAOH171.6°0.4°

222415

PDB entries from 2024-07-10

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