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E3H

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAHCAJsing1.40Å1.35ÅAromatic
CAHCAIdoub1.35Å1.33ÅAromatic
CAJCBEdoub1.37Å1.33ÅAromatic
CAIOAUsing1.34Å1.41ÅAromatic
CABCARsing1.53Å1.53Å
CBEOAUsing1.35Å1.32ÅAromatic
CBECAXsing1.47Å1.35Å
CARNBIsing1.47Å1.47Å
NBIOAVsing1.21Å1.40Å
NBICBHsing1.35Å1.33Å
OAVCBCsing1.33Å1.37Å
NASCAXsing1.35Å1.37Å
NASCAYsing1.40Å1.38Å
CAXOAFdoub1.22Å1.22Å
CBHOAGdoub1.22Å1.24Å
CBHCBGsing1.47Å1.36Å
CANCAYdoub1.39Å1.41ÅAromatic
CANCBBsing1.39Å1.40ÅAromatic
CBCCBGdoub1.37Å1.36Å
CBCCADsing1.51Å1.54Å
CBGCBBsing1.48Å1.38Å
CAYCAMsing1.39Å1.40ÅAromatic
CBBCAOdoub1.39Å1.40ÅAromatic
CAMCBAdoub1.39Å1.42ÅAromatic
CAOCBAsing1.39Å1.40ÅAromatic
CACCAWsing1.51Å1.53Å
CBACBFsing1.48Å1.42Å
CAPCBFdoub1.39Å1.41ÅAromatic
CAPCAZsing1.40Å1.40ÅAromatic
CBFCBDsing1.40Å1.39ÅAromatic
CAWCAZsing1.47Å1.41Å
CAWOAEdoub1.21Å1.24Å
CAZCAKdoub1.40Å1.40ÅAromatic
CBDOATsing1.36Å1.38Å
CBDCALdoub1.39Å1.40ÅAromatic
OATCAQsing1.43Å1.43Å
CAKCALsing1.38Å1.40ÅAromatic
CAQCAAsing1.53Å1.53Å
CAAH1sing1.09Å1.10Å
CAAH2sing1.09Å1.10Å
CAAH3sing1.09Å1.10Å
CABH4sing1.09Å1.10Å
CABH5sing1.09Å1.10Å
CABH6sing1.09Å1.10Å
CACH7sing1.09Å1.10Å
CACH8sing1.09Å1.10Å
CACH9sing1.09Å1.10Å
CADH10sing1.09Å1.10Å
CADH11sing1.09Å1.10Å
CADH12sing1.09Å1.10Å
CAHH13sing1.08Å1.08Å
CAIH14sing1.08Å1.08Å
CAJH15sing1.08Å1.08Å
CAKH16sing1.08Å1.08Å
CALH17sing1.08Å1.08Å
CAMH18sing1.08Å1.08Å
CANH19sing1.08Å1.08Å
CAOH20sing1.08Å1.08Å
CAPH21sing1.08Å1.08Å
CAQH22sing1.09Å1.10Å
CAQH23sing1.09Å1.10Å
CARH24sing1.09Å1.10Å
CARH25sing1.09Å1.10Å
NASH26sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAJCAHCAI108.7°107.1°
CAHCAJCBE108.8°106.7°
CAJCAHH13125.6°126.4°
CAHCAJH15125.6°126.6°
CAHCAIOAU106.1°108.8°
CAICAHH13125.6°126.5°
CAHCAIH14126.9°125.6°
CAJCBEOAU108.7°108.0°
CAJCBECAX128.7°126.0°
CBECAJH15125.6°126.7°
CAIOAUCBE107.6°109.4°
OAUCAIH14126.9°125.6°
CABCARNBI108.5°109.5°
CARCABH4109.5°109.4°
CARCABH5109.5°109.5°
CARCABH6109.5°109.4°
CABCARH24109.7°109.4°
CABCARH25109.7°109.5°
OAUCBECAX122.5°126.0°
CBECAXNAS117.2°120.0°
CBECAXOAF117.9°120.0°
CARNBIOAV121.4°124.5°
CARNBICBH130.9°124.4°
NBICARH24109.7°109.5°
NBICARH25109.7°109.5°
OAVNBICBH107.8°111.1°
NBIOAVCBC105.3°113.6°
NBICBHOAG122.3°127.7°
NBICBHCBG110.7°104.7°
OAVCBCCBG110.5°107.4°
OAVCBCCAD119.6°126.3°
CAXNASCAY126.5°120.0°
NASCAXOAF124.9°120.0°
CAXNASH26116.8°120.0°
NASCAYCAN116.8°119.9°
NASCAYCAM125.2°119.9°
CAYNASH26116.8°120.0°
OAGCBHCBG127.0°127.6°
CBHCBGCBC105.7°103.2°
CBHCBGCBB127.1°128.4°
CAYCANCBB122.4°120.0°
CANCAYCAM118.0°120.1°
CAYCANH19118.8°119.9°
CANCBBCBG121.0°120.0°
CANCBBCAO116.9°119.9°
CBBCANH19118.8°120.0°
CBGCBCCAD129.9°126.3°
CBCCBGCBB127.1°128.4°
CBCCADH10109.5°109.4°
CBCCADH11109.5°109.4°
CBCCADH12109.4°109.5°
CBGCBBCAO122.1°120.1°
CAYCAMCBA121.8°120.1°
CAYCAMH18119.1°120.0°
CBBCAOCBA123.7°119.9°
CBBCAOH20118.1°120.0°
CAMCBACAO117.2°119.9°
CAMCBACBF122.4°120.1°
CBACAMH18119.1°120.0°
CAOCBACBF120.4°120.0°
CBACAOH20118.1°120.1°
CACCAWCAZ117.6°120.0°
CACCAWOAE119.5°120.0°
CAWCACH7109.5°109.5°
CAWCACH8109.5°109.5°
CAWCACH9109.5°109.5°
CBACBFCAP119.5°120.1°
CBACBFCBD123.1°120.1°
CBFCAPCAZ122.6°119.8°
CAPCBFCBD117.3°119.8°
CBFCAPH21118.7°120.1°
CAPCAZCAW122.9°120.1°
CAPCAZCAK118.7°119.9°
CAZCAPH21118.7°120.1°
CBFCBDOAT115.2°119.9°
CBFCBDCAL121.0°120.1°
CAZCAWOAE122.8°120.0°
CAWCAZCAK118.4°120.0°
CAZCAKCAL119.6°120.1°
CAZCAKH16120.2°119.9°
OATCBDCAL123.8°120.0°
CBDOATCAQ112.5°117.0°
CBDCALCAK120.8°120.3°
CBDCALH17119.6°119.8°
OATCAQCAA108.6°109.5°
OATCAQH22109.7°109.5°
OATCAQH23109.7°109.5°
CALCAKH16120.2°120.0°
CAKCALH17119.6°119.9°
CAQCAAH1109.5°109.5°
CAQCAAH2109.4°109.5°
CAQCAAH3109.5°109.4°
CAACAQH22109.7°109.5°
CAACAQH23109.7°109.5°
H1CAAH2109.5°109.5°
H1CAAH3109.4°109.5°
H2CAAH3109.5°109.5°
H4CABH5109.5°109.5°
H4CABH6109.5°109.5°
H5CABH6109.4°109.5°
H7CACH8109.5°109.5°
H7CACH9109.5°109.4°
H8CACH9109.5°109.4°
H10CADH11109.5°109.4°
H10CADH12109.5°109.5°
H11CADH12109.5°109.5°
H22CAQH23109.5°109.4°
H24CARH25109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAJCAHCAIH13180.0°179.7°
CAHCAJCBEH15180.0°179.9°
CAJCAHCAIOAU0.5°0.0°
CAHCAJCBEOAU1.5°0.0°
CAHCAJCBECAX179.8°180.0°
CAJCAHCAIH14179.5°179.9°
CAICAHCAJCBE0.5°0.0°
CAHCAIOAUH14180.0°179.9°
CAHCAIOAUCBE1.4°0.0°
CAICAHCAJH15179.4°179.9°
CAJCBEOAUCAI1.8°0.0°
CAJCBEOAUCAX178.5°179.9°
CAJCBECAXNAS11.7°180.0°
CAJCBECAXOAF168.6°0.1°
CBECAJCAHH13179.4°179.7°
CAIOAUCBECAX179.7°180.0°
OAUCAICAHH13179.5°179.7°
CABCARNBIH24119.9°120.0°
CABCARNBIH25119.8°120.0°
CABCARNBIOAV11.9°105.0°
CABCARNBICBH168.6°74.4°
CARCABH4H5120.0°120.0°
CARCABH4H6120.0°119.9°
CARCABH5H6120.0°120.0°
CABCARH24H25120.5°120.0°
OAUCBECAXNAS170.1°0.1°
OAUCBECAXOAF9.6°180.0°
CBEOAUCAIH14178.6°179.9°
OAUCBECAJH15178.5°179.9°
CBECAXNASOAF179.7°179.9°
CBECAXNASCAY178.9°174.9°
CAXCBECAJH150.2°0.1°
CBECAXNASH261.1°5.1°
CARNBIOAVCBH179.6°179.5°
CARNBIOAVCBC180.0°180.0°
CARNBICBHOAG0.1°0.3°
CARNBICBHCBG179.6°179.8°
NBICARCABH4180.0°60.0°
NBICARCABH560.0°180.0°
NBICARCABH660.0°60.0°
NBICARH24H25120.4°120.0°
OAVNBICBHOAG179.6°179.7°
OAVNBICBHCBG0.0°0.3°
NBIOAVCBCCBG0.7°0.5°
NBIOAVCBCCAD179.8°179.8°
OAVNBICARH24107.9°135.0°
OAVNBICARH25131.8°15.0°
CBHNBIOAVCBC0.4°0.5°
NBICBHOAGCBG179.6°180.0°
NBICBHCBGCBC0.4°0.0°
NBICBHCBGCBB179.3°180.0°
CBHNBICARH2471.6°45.6°
CBHNBICARH2548.7°165.6°
OAVCBCCBGCBH0.6°0.2°
OAVCBCCBGCAD179.5°179.8°
OAVCBCCBGCBB179.6°179.8°
OAVCBCCADH100.0°90.2°
OAVCBCCADH11120.0°29.7°
OAVCBCCADH12120.0°149.7°
CAXNASCAYH26180.0°180.0°
CAXNASCAYCAN177.7°33.2°
CAXNASCAYCAM1.8°146.7°
CAYNASCAXOAF1.5°5.2°
NASCAYCANCAM179.5°179.9°
NASCAYCANCBB179.5°179.9°
NASCAYCAMCBA179.6°179.9°
NASCAYCAMH180.4°0.4°
NASCAYCANH190.5°0.0°
OAFCAXNASH26178.5°174.8°
OAGCBHCBGCBC180.0°180.0°
OAGCBHCBGCBB1.1°0.0°
CBHCBGCBBCAN37.8°115.1°
CBHCBGCBCCBB178.9°180.0°
CBHCBGCBCCAD179.9°180.0°
CBHCBGCBBCAO142.6°64.7°
CAYCANCBBH19180.0°180.0°
CAYCANCBBCBG179.7°180.0°
CAYCANCBBCAO0.1°0.3°
CANCAYCAMCBA0.2°0.0°
CANCAYCAMH18179.8°179.7°
CANCAYNASH262.4°146.8°
CANCBBCBGCBC140.9°65.0°
CANCBBCBGCAO179.6°179.7°
CBBCANCAYCAM0.1°0.0°
CANCBBCAOCBA0.3°0.5°
CANCBBCAOH20179.7°180.0°
CBCCBGCBBCAO38.7°115.3°
CBGCBCCADH10179.5°90.0°
CBGCBCCADH1159.4°150.0°
CBGCBCCADH1260.5°30.0°
CADCBCCBGCBB0.9°0.0°
CBCCADH10H11120.0°119.9°
CBCCADH10H12120.0°120.1°
CBCCADH11H12120.0°120.0°
CBGCBBCAOCBA179.9°179.8°
CBGCBBCANH190.3°0.0°
CBGCBBCAOH200.1°0.3°
CAYCAMCBAH18180.0°179.7°
CAYCAMCBACAO0.4°0.3°
CAYCAMCBACBF178.1°179.7°
CAMCAYCANH19179.9°179.9°
CAMCAYNASH26178.2°33.3°
CBBCAOCBACAM0.4°0.5°
CBBCAOCBAH20180.0°179.4°
CBBCAOCBACBF178.2°179.4°
CAOCBBCANH19179.9°179.7°
CAMCBACAOCBF177.7°179.9°
CAMCBACBFCAP114.1°130.0°
CAMCBACBFCBD64.2°50.8°
CAMCBACAOH20179.6°180.0°
CAOCBACBFCAP63.5°50.1°
CAOCBACBFCBD118.2°129.2°
CAOCBACAMH18179.7°180.0°
CACCAWCAZCAP3.1°5.5°
CACCAWCAZOAE175.2°180.0°
CACCAWCAZCAK179.1°174.5°
CAWCACH7H8120.0°120.0°
CAWCACH7H9120.0°120.0°
CAWCACH8H9120.0°120.0°
CBACBFCAPCBD178.4°179.3°
CBACBFCAPCAZ178.5°180.0°
CBACBFCBDOAT1.1°0.2°
CBACBFCBDCAL177.8°179.8°
CBFCBACAMH182.0°0.0°
CBFCBACAOH201.9°0.0°
CBACBFCAPH211.5°0.1°
CBFCAPCAZH21180.0°179.9°
CBFCAPCAZCAW178.2°179.5°
CBFCAPCAZCAK0.4°0.5°
CAPCBFCBDOAT179.4°179.5°
CAPCBFCBDCAL0.5°0.5°
CAZCAPCBFCBD0.2°0.8°
CAPCAZCAWCAK177.8°180.0°
CAPCAZCAWOAE172.2°174.5°
CAPCAZCAKCAL0.1°0.1°
CAPCAZCAKH16179.9°179.7°
CBFCBDOATCAL178.8°180.0°
CBFCBDOATCAQ173.2°180.0°
CBFCBDCALCAK1.0°0.1°
CBFCBDCALH17179.0°180.0°
CBDCBFCAPH21179.8°179.2°
CAWCAZCAKCAL177.8°179.9°
CAZCAWCACH7175.4°5.1°
CAZCAWCACH855.4°115.0°
CAZCAWCACH964.6°125.0°
CAWCAZCAKH162.2°0.3°
CAWCAZCAPH211.8°0.6°
OAECAWCAZCAK5.6°5.5°
OAECAWCACH70.0°174.9°
OAECAWCACH8120.0°65.1°
OAECAWCACH9120.0°54.9°
CAZCAKCALCBD0.7°0.3°
CAZCAKCALH16180.0°179.7°
CAZCAKCALH17179.3°179.7°
CAKCAZCAPH21179.6°179.4°
OATCBDCALCAK179.7°179.9°
CBDOATCAQCAA99.1°180.0°
OATCBDCALH170.3°0.0°
CBDOATCAQH22141.0°60.0°
CBDOATCAQH2320.7°60.0°
CALCBDOATCAQ5.7°0.0°
CBDCALCAKH17180.0°180.0°
CBDCALCAKH16179.2°180.0°
OATCAQCAAH22119.9°120.0°
OATCAQCAAH23119.9°120.0°
OATCAQCAAH1180.0°60.0°
OATCAQCAAH260.0°180.0°
OATCAQCAAH360.0°60.0°
OATCAQH22H23120.4°120.0°
CAQCAAH1H2120.0°120.0°
CAQCAAH1H3120.0°119.9°
CAQCAAH2H3120.0°119.9°
CAACAQH22H23120.4°120.0°
H1CAAH2H3120.0°120.1°
H1CAACAQH2260.1°180.0°
H1CAACAQH2360.2°60.0°
H2CAACAQH22179.9°60.0°
H2CAACAQH2359.9°60.0°
H3CAACAQH2259.9°60.0°
H3CAACAQH23179.9°180.0°
H4CABH5H6120.0°120.0°
H4CABCARH2460.2°180.0°
H4CABCARH2560.2°60.0°
H5CABCARH2459.9°60.0°
H5CABCARH25179.8°60.0°
H6CABCARH24179.8°60.0°
H6CABCARH2559.9°180.0°
H7CACH8H9120.0°119.9°
H10CADH11H12120.0°120.0°
H13CAHCAIH140.5°0.4°
H13CAHCAJH150.6°0.2°
H16CAKCALH170.8°0.0°

222624

PDB entries from 2024-07-17

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