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2JR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CADCAEdoub1.36Å1.39ÅAromatic
CADCACsing1.39Å1.34ÅAromatic
CAECANsing1.40Å1.39ÅAromatic
NABCACsing1.38Å1.33ÅAromatic
NABCAAsing1.37Å1.33ÅAromatic
CACCALdoub1.41Å1.34ÅAromatic
NAFCAGsing1.31Å1.35ÅAromatic
NAFCAOdoub1.30Å1.34ÅAromatic
CAYCAXsing1.54Å1.50Å
CAYCAVsing1.54Å1.52Å
CANCAOsing1.48Å1.34Å
CANCAMdoub1.39Å1.40ÅAromatic
CAGCAQdoub1.34Å1.34ÅAromatic
CAACAKdoub1.34Å1.33ÅAromatic
CAOSAPsing1.76Å1.62ÅAromatic
CALCAMsing1.39Å1.33ÅAromatic
CALCAKsing1.47Å1.33ÅAromatic
CAXCAWsing1.54Å1.49Å
CAVNAUsing1.49Å1.46Å
CAWNAUsing1.49Å1.48Å
CAQSAPsing1.76Å1.64ÅAromatic
CAQCARsing1.51Å1.57Å
NAUCARsing1.47Å1.48Å
CARCASsing1.53Å1.56Å
CARCAHsing1.53Å1.56Å
CASCATsing1.53Å1.53Å
CAHCAIsing1.53Å1.51Å
CATCAJsing1.53Å1.48Å
CAJCAIsing1.53Å1.52Å
CAHH1sing1.09Å1.10Å
CAHH2sing1.09Å1.10Å
CAIH3sing1.09Å1.10Å
CAIH4sing1.09Å1.10Å
CAJH5sing1.09Å1.10Å
CAJH6sing1.09Å1.10Å
CATH7sing1.09Å1.10Å
CATH8sing1.09Å1.10Å
CASH9sing1.09Å1.10Å
CASH10sing1.09Å1.10Å
CAVH12sing1.09Å1.10Å
CAVH13sing1.09Å1.10Å
CAYH14sing1.09Å1.10Å
CAYH15sing1.09Å1.10Å
CAXH16sing1.09Å1.10Å
CAXH17sing1.09Å1.10Å
CAWH18sing1.09Å1.10Å
CAWH19sing1.09Å1.10Å
CAGH20sing1.08Å1.08Å
CAMH21sing1.08Å1.08Å
CAKH22sing1.08Å1.08Å
CAAH23sing1.08Å1.08Å
NABH24sing0.97Å1.00Å
CADH25sing1.08Å1.08Å
CAEH26sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAECADCAC120.5°120.2°
CADCAECAN118.6°120.7°
CAECADH25119.8°119.9°
CADCAEH26120.7°119.7°
CADCACNAB131.2°133.3°
CADCACCAL121.1°119.6°
CACCADH25119.8°119.8°
CAECANCAO121.4°120.0°
CAECANCAM118.0°120.1°
CANCAEH26120.7°119.6°
CACNABCAA108.2°109.9°
NABCACCAL107.6°107.1°
CACNABH24125.9°125.0°
NABCAACAK108.0°110.0°
NABCAAH23126.0°125.0°
CAANABH24125.9°125.1°
CACCALCAM121.0°120.0°
CACCALCAK108.0°106.1°
CAGNAFCAO114.2°117.0°
NAFCAGCAQ112.8°115.8°
NAFCAGH20123.6°122.1°
NAFCAOCAN126.3°125.5°
NAFCAOSAP108.7°109.1°
CAXCAYCAV102.1°105.1°
CAYCAXCAW99.9°105.0°
CAXCAYH14111.3°110.3°
CAXCAYH15111.3°110.3°
CAYCAXH16111.8°110.3°
CAYCAXH17111.8°110.3°
CAYCAVNAU108.1°104.6°
CAYCAVH12109.8°110.5°
CAYCAVH13109.8°110.5°
CAVCAYH14111.3°110.3°
CAVCAYH15111.3°110.3°
CAOCANCAM120.6°119.9°
CANCAOSAP125.0°125.4°
CANCAMCAL120.8°119.4°
CANCAMH21119.6°120.3°
CAGCAQSAP108.5°108.3°
CAGCAQCAR126.3°125.8°
CAQCAGH20123.6°122.1°
CAACAKCAL108.1°106.9°
CAACAKH22125.9°126.5°
CAKCAAH23126.0°125.0°
CAOSAPCAQ95.7°89.8°
CAMCALCAK130.9°133.9°
CALCAMH21119.6°120.4°
CALCAKH22126.0°126.6°
CAXCAWNAU101.8°104.6°
CAWCAXH16111.8°110.3°
CAWCAXH17111.8°110.3°
CAXCAWH18111.4°110.4°
CAXCAWH19111.3°110.4°
CAVNAUCAW101.8°104.2°
CAVNAUCAR118.0°111.0°
NAUCAVH12109.8°110.4°
NAUCAVH13109.8°110.4°
CAWNAUCAR108.4°111.0°
NAUCAWH18111.4°110.5°
NAUCAWH19111.4°110.4°
SAPCAQCAR125.2°125.9°
CAQCARNAU110.0°109.4°
CAQCARCAS109.6°109.5°
CAQCARCAH109.6°109.5°
NAUCARCAS109.6°109.5°
NAUCARCAH108.4°109.5°
CASCARCAH109.7°109.5°
CARCASCAT112.9°109.4°
CARCASH9108.6°109.5°
CARCASH10108.6°109.5°
CARCAHCAI112.1°109.5°
CARCAHH1108.8°109.4°
CARCAHH2108.8°109.5°
CASCATCAJ106.8°109.5°
CASCATH7110.1°109.5°
CASCATH8110.1°109.5°
CATCASH9108.6°109.4°
CATCASH10108.6°109.5°
CAHCAICAJ112.7°109.5°
CAICAHH1108.8°109.5°
CAICAHH2108.8°109.5°
CAHCAIH3108.7°109.5°
CAHCAIH4108.7°109.4°
CATCAJCAI109.9°109.5°
CATCAJH5109.4°109.5°
CATCAJH6109.4°109.5°
CAJCATH7110.1°109.4°
CAJCATH8110.1°109.5°
CAJCAIH3108.6°109.4°
CAJCAIH4108.6°109.5°
CAICAJH5109.4°109.5°
CAICAJH6109.4°109.4°
H1CAHH2109.5°109.5°
H3CAIH4109.5°109.5°
H5CAJH6109.5°109.5°
H7CATH8109.5°109.5°
H9CASH10109.4°109.5°
H12CAVH13109.5°110.4°
H14CAYH15109.5°110.4°
H16CAXH17109.5°110.4°
H18CAWH19109.5°110.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAECADCACH25180.0°179.6°
CADCAECANH26180.0°179.5°
CAECADCACNAB180.0°179.7°
CAECADCACCAL0.1°0.2°
CADCAECANCAO180.0°179.8°
CADCAECANCAM0.1°0.5°
CACCADCAECAN0.1°0.5°
CADCACNABCAL179.9°179.9°
CADCACNABCAA180.0°180.0°
CADCACCALCAM0.1°0.0°
CADCACCALCAK180.0°180.0°
CADCACNABH240.0°0.1°
CACCADCAEH26179.9°180.0°
CAECANCAONAF6.6°179.7°
CAECANCAOCAM179.9°179.7°
CAECANCAOSAP173.6°0.9°
CAECANCAMCAL0.1°0.3°
CAECANCAMH21179.9°179.7°
CANCAECADH25179.9°180.0°
CACNABCAAH24180.0°179.9°
CACNABCAACAK0.1°0.0°
NABCACCALCAM179.9°180.0°
NABCACCALCAK0.0°0.0°
CACNABCAAH23179.9°180.0°
NABCACCADH250.0°0.2°
CAANABCACCAL0.1°0.0°
NABCAACAKH23180.0°180.0°
NABCAACAKCAL0.1°0.0°
NABCAACAKH22179.9°179.9°
CACCALCAMCAN0.1°0.0°
CACCALCAKCAA0.0°0.0°
CACCALCAMCAK179.9°180.0°
CACCALCAMH21179.9°180.0°
CACCALCAKH22180.0°180.0°
CALCACNABH24179.9°179.9°
CALCACCADH25179.9°179.8°
CAGNAFCAOCAN179.9°180.0°
NAFCAGCAQH20180.0°179.9°
CAGNAFCAOSAP0.1°0.5°
NAFCAGCAQSAP0.8°0.1°
NAFCAGCAQCAR179.3°179.8°
NAFCAOCANSAP179.8°179.4°
NAFCAOCANCAM173.2°0.0°
CAONAFCAGCAQ0.6°0.3°
NAFCAOSAPCAQ0.3°0.5°
CAONAFCAGH20179.4°179.6°
CAXCAYCAVH14118.8°118.9°
CAXCAYCAVH15118.8°118.9°
CAYCAXCAWH16118.4°118.9°
CAYCAXCAWH17118.4°118.9°
CAXCAYCAVNAU11.6°23.9°
CAYCAXCAWNAU51.3°23.9°
CAXCAYCAVH12131.4°142.6°
CAXCAYCAVH13108.2°94.9°
CAXCAYH14H15123.4°122.2°
CAYCAXH16H17124.5°122.2°
CAYCAXCAWH18170.1°94.9°
CAYCAXCAWH1967.4°142.6°
CAVCAYCAXCAW37.7°0.0°
CAYCAVNAUH12119.8°118.8°
CAYCAVNAUH13119.8°118.9°
CAYCAVNAUCAW19.6°39.5°
CAYCAVNAUCAR138.0°159.0°
CAYCAVH12H13120.6°122.5°
CAVCAYH14H15123.4°122.1°
CAVCAYCAXH1680.7°118.9°
CAVCAYCAXH17156.1°118.9°
CAOCANCAMCAL180.0°180.0°
CANCAOSAPCAQ179.5°179.9°
CAOCANCAMH210.0°0.0°
CAOCANCAEH260.0°0.2°
CAMCANCAOSAP6.6°179.3°
CANCAMCALH21180.0°180.0°
CANCAMCALCAK180.0°180.0°
CAMCANCAEH26179.9°180.0°
CAGCAQSAPCAO0.6°0.3°
CAGCAQSAPCAR178.6°179.7°
CAGCAQCARNAU76.7°156.3°
CAGCAQCARCAS43.9°83.7°
CAGCAQCARCAH164.3°36.3°
CAACAKCALCAM179.9°180.0°
CAACAKCALH22180.0°180.0°
CAKCAANABH24179.9°180.0°
CAOSAPCAQCAR179.2°180.0°
CAMCALCAKH220.1°0.0°
CAKCALCAMH210.0°0.0°
CALCAKCAAH23179.9°180.0°
CAXCAWNAUCAV43.8°39.5°
CAXCAWNAUH18118.8°118.8°
CAXCAWNAUH19118.7°118.8°
CAXCAWNAUCAR169.0°159.1°
CAWCAXCAYH1481.1°118.9°
CAWCAXCAYH15156.5°118.9°
CAWCAXH16H17124.4°122.2°
CAXCAWH18H19123.6°122.4°
CAVNAUCAWCAR125.2°119.5°
CAVNAUCARCAQ77.7°68.7°
CAVNAUCARCAS42.8°51.2°
CAVNAUCARCAH162.5°171.3°
NAUCAVH12H13120.6°122.3°
NAUCAVCAYH14107.2°95.0°
NAUCAVCAYH15130.4°142.8°
CAVNAUCAWH18162.6°79.3°
CAVNAUCAWH1974.9°158.3°
CAWNAUCARCAQ37.2°46.6°
CAWNAUCARCAS157.8°166.6°
CAWNAUCARCAH82.5°73.4°
CAWNAUCAVH12100.2°158.3°
CAWNAUCAVH13139.3°79.4°
NAUCAWCAXH1667.1°95.0°
NAUCAWCAXH17169.8°142.8°
NAUCAWH18H19123.6°122.4°
SAPCAQCARNAU101.6°24.1°
SAPCAQCARCAS137.8°95.9°
SAPCAQCARCAH17.4°144.0°
SAPCAQCAGH20179.2°180.0°
CAQCARNAUCAS120.6°120.0°
CAQCARNAUCAH119.8°120.0°
CAQCARCASCAH120.3°120.0°
CAQCARCASCAT109.5°179.9°
CAQCARCAHCAI64.8°180.0°
CAQCARCAHH1174.8°60.0°
CAQCARCAHH255.6°60.0°
CAQCARCASH911.0°60.0°
CAQCARCASH10130.0°60.1°
CARCAQCAGH200.7°0.3°
NAUCARCASCAH118.9°120.0°
NAUCARCASCAT129.7°60.0°
NAUCARCAHCAI175.1°60.0°
NAUCARCAHH154.8°180.0°
NAUCARCAHH264.5°60.0°
NAUCARCASH9109.8°60.0°
NAUCARCASH109.2°180.0°
CARNAUCAVH1218.2°82.2°
CARNAUCAVH13102.2°40.1°
CARNAUCAWH1872.3°40.2°
CARNAUCAWH1950.3°82.2°
CARCASCATH9120.5°120.0°
CARCASCATH10120.5°120.0°
CASCARCAHCAI55.5°60.0°
CARCASCATCAJ50.2°60.0°
CASCARCAHH164.9°60.0°
CASCARCAHH2175.9°180.0°
CARCASCATH7169.8°60.0°
CARCASCATH869.4°180.0°
CARCASH9H10118.5°120.0°
CAHCARCASCAT10.8°60.0°
CARCAHCAIH1120.4°120.0°
CARCAHCAIH2120.4°120.0°
CARCAHCAICAJ36.7°60.0°
CARCAHH1H2118.8°120.0°
CARCAHCAIH3157.2°60.0°
CARCAHCAIH483.7°180.0°
CAHCARCASH9131.3°180.0°
CAHCARCASH10109.7°60.0°
CASCATCAJH7119.6°120.0°
CASCATCAJH8119.6°120.1°
CASCATCAJCAI71.1°60.0°
CASCATCAJH549.0°180.0°
CASCATCAJH6168.8°60.0°
CASCATH7H8121.2°120.1°
CATCASH9H10118.4°120.0°
CAHCAICAJCAT26.2°60.0°
CAHCAICAJH3120.5°120.0°
CAHCAICAJH4120.5°120.0°
CAICAHH1H2118.8°120.0°
CAHCAIH3H4118.6°120.0°
CAHCAICAJH593.9°180.0°
CAHCAICAJH6146.2°60.0°
CATCAJCAIH5120.1°120.1°
CATCAJCAIH6120.0°120.0°
CATCAJCAIH394.3°60.0°
CATCAJCAIH4146.7°179.9°
CATCAJH5H6119.8°120.0°
CAJCATH7H8121.2°119.9°
CAJCATCASH970.3°180.0°
CAJCATCASH10170.8°60.0°
CAJCAICAHH183.6°60.0°
CAJCAICAHH2157.1°180.0°
CAJCAIH3H4118.5°120.0°
CAICAJH5H6119.8°120.0°
CAICAJCATH7169.3°60.0°
CAICAJCATH848.5°180.0°
H1CAHCAIH336.8°179.9°
H1CAHCAIH4155.9°60.0°
H2CAHCAIH382.4°60.0°
H2CAHCAIH436.6°60.1°
H3CAICAJH5145.6°60.0°
H3CAICAJH625.7°NaN°
H4CAICAJH526.6°60.0°
H4CAICAJH693.3°60.0°
H5CAJCATH770.6°60.0°
H5CAJCATH8168.5°59.9°
H6CAJCATH749.3°180.0°
H6CAJCATH871.6°60.1°
H7CATCASH949.3°60.0°
H7CATCASH1069.6°180.0°
H8CATCASH9170.1°60.0°
H8CATCASH1051.2°60.0°
H12CAVCAYH1412.6°23.7°
H12CAVCAYH15109.8°98.5°
H13CAVCAYH14133.0°146.2°
H13CAVCAYH1510.6°24.0°
H14CAYCAXH16160.5°0.0°
H14CAYCAXH1737.3°122.2°
H15CAYCAXH1638.1°122.2°
H15CAYCAXH1785.1°0.0°
H16CAXCAWH1851.7°146.2°
H16CAXCAWH19174.2°23.7°
H17CAXCAWH1871.4°24.0°
H17CAXCAWH1951.0°98.5°
H22CAKCAAH230.1°0.0°
H23CAANABH240.1°0.1°
H25CADCAEH260.1°0.4°

246905

PDB entries from 2025-12-31

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