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0QK

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBICBHsing1.53Å1.52Å
CBKCBHsing1.53Å1.53Å
CBHCBJsing1.53Å1.53Å
CBHCBEsing1.51Å1.42Å
CBECBFdoub1.38Å1.40ÅAromatic
CBECBDsing1.38Å1.41ÅAromatic
CBFCBGsing1.38Å1.40ÅAromatic
CBDCBCdoub1.38Å1.40ÅAromatic
CBGCBBdoub1.39Å1.41ÅAromatic
CBCCBBsing1.39Å1.40ÅAromatic
CBBNAZsing1.40Å1.36Å
NAZCAYsing1.35Å1.35Å
CAYOBAdoub1.22Å1.24Å
CAYNAXsing1.35Å1.38Å
NAXCAWsing1.46Å1.48Å
CAWCAVsing1.53Å1.56Å
CAVCATsing1.53Å1.52Å
CAUCBMsing1.53Å1.55Å
CAUCBLsing1.53Å1.55Å
CAUNASsing1.47Å1.48Å
CATNASsing1.47Å1.49Å
NASCARsing1.47Å1.48Å
CARCANsing1.53Å1.53Å
OAOCANsing1.44Å1.43Å
OAOCAKsing1.44Å1.43Å
CANCAMsing1.55Å1.51Å
CAKNAGsing1.46Å1.47Å
CAKCALsing1.54Å1.49Å
NAGCAHsing1.37Å1.34ÅAromatic
NAGC4sing1.37Å1.33ÅAromatic
CAMOAQsing1.43Å1.41Å
CAMCALsing1.54Å1.52Å
CAHCAIdoub1.34Å1.33ÅAromatic
N3C4doub1.33Å1.35ÅAromatic
N3C2sing1.32Å1.39ÅAromatic
C4C5sing1.41Å1.33ÅAromatic
C2N1doub1.32Å1.40ÅAromatic
CAIC5sing1.46Å1.34ÅAromatic
C5C6doub1.40Å1.35ÅAromatic
N1C6sing1.33Å1.34ÅAromatic
C6NAJsing1.38Å1.34Å
CALOAPsing1.43Å1.44Å
C2H1sing1.08Å1.08Å
CBIH2sing1.09Å1.10Å
CBIH3sing1.09Å1.10Å
CBIH4sing1.09Å1.10Å
CBJH5sing1.09Å1.10Å
CBJH6sing1.09Å1.10Å
CBJH7sing1.09Å1.10Å
CBKH8sing1.09Å1.10Å
CBKH9sing1.09Å1.10Å
CBKH10sing1.09Å1.10Å
CBFH11sing1.08Å1.08Å
CBGH12sing1.08Å1.08Å
CBDH13sing1.08Å1.08Å
CBCH14sing1.08Å1.08Å
NAZH15sing0.97Å1.00Å
NAXH16sing0.97Å1.00Å
CAWH17sing1.09Å1.10Å
CAWH18sing1.09Å1.10Å
CAVH19sing1.09Å1.10Å
CAVH20sing1.09Å1.10Å
CATH21sing1.09Å1.10Å
CATH22sing1.09Å1.10Å
CAUH24sing1.09Å1.10Å
CBMH25sing1.09Å1.10Å
CBMH26sing1.09Å1.10Å
CBMH27sing1.09Å1.10Å
CBLH28sing1.09Å1.10Å
CBLH29sing1.09Å1.10Å
CBLH30sing1.09Å1.10Å
CARH31sing1.09Å1.10Å
CARH32sing1.09Å1.10Å
CANH33sing1.09Å1.10Å
CAMH34sing1.09Å1.10Å
OAQH35sing0.97Å0.95Å
CALH36sing1.09Å1.10Å
OAPH37sing0.97Å0.95Å
CAKH38sing1.09Å1.10Å
CAHH39sing1.08Å1.08Å
CAIH40sing1.08Å1.08Å
NAJH41sing0.97Å1.00Å
NAJH42sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBICBHCBK105.3°109.5°
CBICBHCBJ108.2°109.5°
CBICBHCBE110.4°109.5°
CBHCBIH2109.5°109.5°
CBHCBIH3109.4°109.5°
CBHCBIH4109.5°109.5°
CBKCBHCBJ111.1°109.4°
CBKCBHCBE113.0°109.5°
CBHCBKH8109.5°109.4°
CBHCBKH9109.4°109.5°
CBHCBKH10109.5°109.5°
CBJCBHCBE108.8°109.4°
CBHCBJH5109.5°109.4°
CBHCBJH6109.4°109.5°
CBHCBJH7109.5°109.5°
CBHCBECBF122.3°119.9°
CBHCBECBD119.2°119.9°
CBFCBECBD118.4°120.2°
CBECBFCBG119.4°120.1°
CBECBFH11120.3°120.0°
CBECBDCBC121.6°120.0°
CBECBDH13119.2°120.0°
CBFCBGCBB122.4°119.9°
CBGCBFH11120.3°120.0°
CBFCBGH12118.8°120.0°
CBDCBCCBB120.3°120.0°
CBCCBDH13119.2°120.0°
CBDCBCH14119.9°120.0°
CBGCBBCBC117.8°119.8°
CBGCBBNAZ119.5°120.1°
CBBCBGH12118.8°120.1°
CBCCBBNAZ122.7°120.1°
CBBCBCH14119.8°120.0°
CBBNAZCAY121.1°120.0°
CBBNAZH15119.5°120.0°
NAZCAYOBA120.5°120.0°
NAZCAYNAX117.2°120.0°
CAYNAZH15119.5°119.9°
OBACAYNAX122.3°120.0°
CAYNAXCAW122.5°120.0°
CAYNAXH16118.7°120.0°
NAXCAWCAV101.4°109.5°
CAWNAXH16118.7°120.1°
NAXCAWH17111.4°109.5°
NAXCAWH18111.4°109.5°
CAWCAVCAT116.1°109.5°
CAVCAWH17111.4°109.5°
CAVCAWH18111.5°109.5°
CAWCAVH19107.8°109.4°
CAWCAVH20107.8°109.5°
CAVCATNAS118.7°109.5°
CATCAVH19107.8°109.4°
CATCAVH20107.8°109.5°
CAVCATH21107.1°109.4°
CAVCATH22107.1°109.5°
CBMCAUCBL107.4°109.5°
CBMCAUNAS109.9°109.5°
CBMCAUH24107.9°109.4°
CAUCBMH25109.5°109.5°
CAUCBMH26109.5°109.5°
CAUCBMH27109.5°109.5°
CBLCAUNAS114.8°109.5°
CBLCAUH24107.9°109.5°
CAUCBLH28109.5°109.5°
CAUCBLH29109.5°109.4°
CAUCBLH30109.5°109.5°
CAUNASCAT122.4°111.0°
CAUNASCAR106.3°111.0°
NASCAUH24108.7°109.5°
CATNASCAR103.4°111.0°
NASCATH21107.1°109.5°
NASCATH22107.1°109.5°
NASCARCAN111.1°109.5°
NASCARH31109.1°109.5°
NASCARH32109.1°109.5°
CARCANOAO105.6°110.4°
CARCANCAM109.2°110.4°
CANCARH31109.1°109.5°
CANCARH32109.0°109.4°
CARCANH33111.0°110.3°
CANOAOCAK105.7°105.3°
OAOCANCAM106.9°104.8°
OAOCANH33112.6°110.5°
OAOCAKNAG107.0°110.4°
OAOCAKCAL104.8°104.8°
OAOCAKH38111.6°110.4°
CANCAMOAQ107.6°110.5°
CANCAMCAL104.3°104.1°
CAMCANH33111.2°110.3°
CANCAMH34111.1°110.5°
NAGCAKCAL111.3°110.4°
CAKNAGCAH131.7°125.0°
CAKNAGC4118.4°125.0°
NAGCAKH38111.1°110.3°
CAKCALCAM101.1°104.1°
CAKCALOAP108.9°110.5°
CAKCALH36111.4°110.6°
CALCAKH38110.8°110.5°
CAHNAGC4109.8°110.0°
NAGCAHCAI106.0°109.8°
NAGCAHH39127.0°125.1°
NAGC4N3130.8°134.3°
NAGC4C5107.4°107.2°
OAQCAMCAL109.9°110.5°
OAQCAMH34112.7°110.4°
CAMOAQH35109.5°114.0°
CAMCALOAP111.7°110.5°
CALCAMH34110.9°110.6°
CAMCALH36110.9°110.5°
CAHCAIC5109.5°106.8°
CAICAHH39127.0°125.1°
CAHCAIH40125.2°126.6°
C4N3C2119.8°120.7°
N3C4C5121.8°118.6°
N3C2N1117.6°122.7°
N3C2H1121.2°118.6°
C4C5CAI107.3°106.2°
C4C5C6119.5°118.7°
C2N1C6119.5°121.1°
N1C2H1121.2°118.7°
CAIC5C6133.3°135.1°
C5CAIH40125.3°126.6°
C5C6N1121.8°118.3°
C5C6NAJ118.0°120.9°
N1C6NAJ120.2°120.8°
C6NAJH41109.5°120.0°
C6NAJH42109.5°120.0°
OAPCALH36112.3°110.5°
CALOAPH37109.5°114.0°
H2CBIH3109.5°109.5°
H2CBIH4109.5°109.4°
H3CBIH4109.5°109.5°
H5CBJH6109.5°109.4°
H5CBJH7109.5°109.5°
H6CBJH7109.5°109.5°
H8CBKH9109.5°109.4°
H8CBKH10109.5°109.4°
H9CBKH10109.5°109.5°
H17CAWH18109.5°109.4°
H19CAVH20109.5°109.5°
H21CATH22109.5°109.4°
H25CBMH26109.5°109.5°
H25CBMH27109.4°109.4°
H26CBMH27109.5°109.4°
H28CBLH29109.5°109.4°
H28CBLH30109.4°109.5°
H29CBLH30109.4°109.5°
H31CARH32109.5°109.5°
H41NAJH42109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBICBHCBKCBJ116.9°120.0°
CBICBHCBKCBE120.6°120.0°
CBICBHCBJCBE120.0°120.0°
CBICBHCBECBF143.8°60.0°
CBICBHCBECBD36.3°120.2°
CBHCBIH2H3120.0°120.1°
CBHCBIH2H4120.0°120.0°
CBHCBIH3H4120.0°120.0°
CBICBHCBJH5180.0°60.0°
CBICBHCBJH660.0°180.0°
CBICBHCBJH760.0°60.0°
CBICBHCBKH8180.0°60.0°
CBICBHCBKH960.0°179.9°
CBICBHCBKH1060.0°59.9°
CBKCBHCBJCBE124.9°120.0°
CBKCBHCBECBF26.2°180.0°
CBKCBHCBECBD153.9°0.2°
CBKCBHCBIH2180.0°179.9°
CBKCBHCBIH360.0°60.0°
CBKCBHCBIH460.0°60.0°
CBKCBHCBJH564.9°60.0°
CBKCBHCBJH655.1°59.9°
CBKCBHCBJH7175.1°180.0°
CBHCBKH8H9120.0°120.0°
CBHCBKH8H10120.0°120.0°
CBHCBKH9H10120.0°120.1°
CBJCBHCBECBF97.6°60.0°
CBJCBHCBECBD82.3°119.7°
CBJCBHCBIH261.2°59.9°
CBJCBHCBIH358.8°180.0°
CBJCBHCBIH4178.8°60.0°
CBHCBJH5H6120.0°120.0°
CBHCBJH5H7120.0°120.0°
CBHCBJH6H7120.0°120.0°
CBJCBHCBKH863.1°180.0°
CBJCBHCBKH9176.8°60.0°
CBJCBHCBKH1056.9°60.1°
CBHCBECBFCBD179.9°179.8°
CBHCBECBFCBG180.0°180.0°
CBHCBECBDCBC179.9°180.0°
CBECBHCBIH257.7°60.0°
CBECBHCBIH3177.8°60.0°
CBECBHCBIH462.3°179.9°
CBECBHCBJH560.0°180.0°
CBECBHCBJH6180.0°60.0°
CBECBHCBJH760.0°60.0°
CBECBHCBKH859.4°60.0°
CBECBHCBKH960.6°59.9°
CBECBHCBKH10179.4°180.0°
CBHCBECBFH110.0°0.1°
CBHCBECBDH130.1°0.1°
CBECBFCBGH11180.0°179.9°
CBFCBECBDCBC0.1°0.2°
CBECBFCBGCBB0.2°0.0°
CBECBFCBGH12179.8°179.9°
CBFCBECBDH13179.9°179.7°
CBDCBECBFCBG0.1°0.3°
CBECBDCBCH13180.0°179.9°
CBECBDCBCCBB0.3°0.1°
CBDCBECBFH11180.0°179.8°
CBECBDCBCH14179.7°180.0°
CBFCBGCBBH12180.0°179.9°
CBFCBGCBBCBC0.4°0.3°
CBFCBGCBBNAZ178.7°180.0°
CBDCBCCBBCBG0.4°0.3°
CBDCBCCBBH14180.0°179.9°
CBDCBCCBBNAZ178.7°180.0°
CBGCBBCBCNAZ178.3°179.7°
CBGCBBNAZCAY141.9°34.0°
CBBCBGCBFH11179.8°179.9°
CBGCBBCBCH14179.6°179.7°
CBGCBBNAZH1538.2°146.0°
CBCCBBNAZCAY39.9°145.7°
CBCCBBCBGH12179.6°179.8°
CBBCBCCBDH13179.7°180.0°
CBCCBBNAZH15140.1°34.3°
CBBNAZCAYH15180.0°180.0°
CBBNAZCAYOBA0.9°6.0°
CBBNAZCAYNAX178.7°174.0°
NAZCBBCBGH121.3°0.1°
NAZCBBCBCH141.3°0.0°
NAZCAYOBANAX179.6°180.0°
NAZCAYNAXCAW172.6°180.0°
NAZCAYNAXH167.4°0.0°
OBACAYNAXCAW7.9°0.0°
OBACAYNAZH15179.2°174.0°
OBACAYNAXH16172.2°180.0°
CAYNAXCAWH16180.0°180.0°
CAYNAXCAWCAV39.2°180.0°
NAXCAYNAZH151.3°6.1°
CAYNAXCAWH1779.4°60.0°
CAYNAXCAWH18158.0°60.0°
NAXCAWCAVH17118.7°120.0°
NAXCAWCAVH18118.7°120.1°
NAXCAWCAVCAT130.8°180.0°
NAXCAWH17H18123.7°120.0°
NAXCAWCAVH199.8°60.0°
NAXCAWCAVH20108.3°60.0°
CAWCAVCATH19121.0°120.0°
CAWCAVCATH20121.0°120.0°
CAWCAVCATNAS115.9°173.8°
CAVCAWNAXH16140.7°0.0°
CAVCAWH17H18123.8°120.0°
CAWCAVH19H20117.0°120.0°
CAWCAVCATH21122.8°66.2°
CAWCAVCATH225.4°53.7°
CAVCATNASCAU52.9°72.3°
CAVCATNASH21121.3°120.0°
CAVCATNASH22121.3°120.0°
CAVCATNASCAR172.3°163.8°
CATCAVCAWH17110.5°60.0°
CATCAVCAWH1812.1°59.9°
CATCAVH19H20117.0°120.0°
CAVCATH21H22115.8°119.9°
CBMCAUCBLNAS122.6°120.0°
CBMCAUCBLH24116.1°119.9°
CBMCAUNASH24117.8°119.9°
CBMCAUNASCAT171.7°89.5°
CBMCAUNASCAR70.2°146.6°
CAUCBMH25H26120.0°120.0°
CAUCBMH25H27120.0°120.0°
CAUCBMH26H27120.0°120.0°
CBMCAUCBLH28180.0°61.5°
CBMCAUCBLH2960.0°178.6°
CBMCAUCBLH3060.0°58.6°
CBLCAUNASH24120.9°120.1°
CBLCAUNASCAT67.1°30.5°
CBLCAUNASCAR51.0°93.4°
CBLCAUCBMH25180.0°66.0°
CBLCAUCBMH2660.0°174.0°
CBLCAUCBMH2760.0°54.0°
CAUCBLH28H29120.0°119.9°
CAUCBLH28H30120.0°120.0°
CAUCBLH29H30120.0°120.0°
CAUNASCATCAR119.5°123.9°
CAUNASCARCAN139.2°75.9°
CAUNASCATH2168.5°47.7°
CAUNASCATH22174.2°167.7°
NASCAUCBMH2554.4°174.0°
NASCAUCBMH26174.4°54.0°
NASCAUCBMH2765.6°66.0°
NASCAUCBLH2857.4°58.5°
NASCAUCBLH2962.6°61.4°
NASCAUCBLH30177.4°178.6°
CAUNASCARH3119.0°44.1°
CAUNASCARH32100.5°164.1°
CATNASCARCAN90.7°160.1°
NASCATCAVH195.0°53.8°
NASCATCAVH20123.1°66.2°
NASCATH21H22115.8°120.0°
CATNASCAUH2453.9°150.6°
CATNASCARH31149.1°79.9°
CATNASCARH3229.5°40.2°
NASCARCANH31120.2°120.0°
NASCARCANH32120.2°120.0°
NASCARCANOAO82.6°71.8°
NASCARCANCAM162.8°172.8°
CARNASCATH2151.0°76.3°
CARNASCATH2266.3°43.7°
CARNASCAUH24172.0°26.6°
NASCARH31H32119.3°120.0°
NASCARCANH3339.8°50.6°
CARCANOAOCAM116.2°118.8°
CARCANOAOH33121.3°122.3°
CARCANOAOCAK138.3°159.3°
CARCANCAMH33122.9°122.2°
CARCANCAMOAQ132.9°98.5°
CARCANCAMCAL110.4°142.8°
CANCARH31H32119.2°120.0°
CARCANCAMH349.1°24.0°
OAOCANCAMH33123.3°118.9°
CANOAOCAKNAG158.1°159.4°
CANOAOCAKCAL39.9°40.5°
OAOCANCAMOAQ113.3°142.7°
OAOCANCAMCAL3.4°24.0°
OAOCANCARH3137.7°48.2°
OAOCANCARH32157.2°168.2°
OAOCANCAMH34123.0°94.8°
CANOAOCAKH3880.1°78.4°
CAKOAOCANCAM22.1°40.5°
OAOCAKNAGCAL113.9°115.4°
OAOCAKNAGH38122.1°122.2°
OAOCAKCALH38120.5°118.9°
OAOCAKNAGCAH67.2°23.5°
OAOCAKNAGC4111.7°156.4°
OAOCAKCALCAM40.5°24.0°
OAOCAKCALOAP158.3°142.6°
CAKOAOCANH33100.4°78.3°
OAOCAKCALH3677.3°94.7°
CANCAMCALCAK26.1°0.0°
CANCAMOAQCAL113.0°114.7°
CANCAMOAQH34122.7°122.6°
CANCAMCALH34119.6°118.7°
CANCAMCALOAP141.8°118.7°
CAMCANCARH3177.0°67.1°
CAMCANCARH3242.5°52.9°
CANCAMOAQH35180.0°180.0°
CANCAMCALH3692.1°118.8°
NAGCAKCALH38124.2°122.3°
CAKNAGCAHC4179.0°179.9°
NAGCAKCALCAM155.8°142.8°
CAKNAGCAHCAI179.4°180.0°
CAKNAGC4N30.9°0.5°
CAKNAGC4C5179.8°180.0°
NAGCAKCALOAP86.4°98.5°
NAGCAKCALH3638.0°24.1°
CAKNAGCAHH390.6°0.0°
CALCAKNAGCAH46.7°91.9°
CALCAKNAGC4134.4°88.2°
CAKCALCAMOAQ88.9°118.7°
CAKCALCAMOAP115.7°118.7°
CAKCALCAMH36118.2°118.7°
CAKCALOAPH36123.9°122.8°
CAKCALCAMH34145.8°118.7°
CAKCALOAPH37180.0°176.1°
NAGCAHCAIH39180.0°180.0°
CAHNAGC4N3180.0°179.6°
CAHNAGC4C50.6°0.1°
NAGCAHCAIC50.0°0.0°
CAHNAGCAKH38170.6°145.8°
NAGCAHCAIH40180.0°179.9°
C4NAGCAHCAI0.4°0.1°
NAGC4N3C5179.3°179.5°
NAGC4N3C2180.0°179.6°
NAGC4C5CAI0.6°0.1°
NAGC4C5C6179.4°179.9°
C4NAGCAKH3810.4°34.1°
C4NAGCAHH39179.6°180.0°
OAQCAMCALH34125.3°122.6°
OAQCAMCALOAP26.8°0.0°
OAQCAMCANH3310.0°23.7°
OAQCAMCALH36152.8°122.6°
CAMCALOAPH36125.3°122.6°
CALCAMCANH33126.7°95.0°
CALCAMOAQH3567.0°65.3°
CAMCALOAPH3769.2°61.4°
CAMCALCAKH3880.0°94.9°
CAHCAIC5C40.4°0.0°
CAHCAIC5H40180.0°180.0°
CAHCAIC5C6179.6°180.0°
C4N3C2N10.7°0.1°
N3C4C5CAI179.9°179.7°
N3C4C5C60.1°0.3°
C4N3C2H1179.3°179.8°
C2N3C4C50.7°0.1°
N3C2N1H1180.0°179.7°
N3C2N1C60.2°0.3°
C4C5CAIC6180.0°180.0°
C4C5C6N11.0°0.5°
C4C5C6NAJ180.0°180.0°
C4C5CAIH40179.6°180.0°
C2N1C6C51.0°0.5°
C2N1C6NAJ180.0°180.0°
CAIC5C6N1179.0°179.5°
CAIC5C6NAJ0.0°0.0°
C5CAICAHH39180.0°180.0°
C5C6N1NAJ179.0°179.5°
C6C5CAIH400.4°0.0°
C5C6NAJH41179.0°0.1°
C5C6NAJH4259.0°180.0°
C6N1C2H1179.8°180.0°
N1C6NAJH410.0°179.4°
N1C6NAJH42120.0°0.5°
C6NAJH41H42120.0°179.9°
OAPCALCAMH3498.5°122.6°
OAPCALCAKH3837.8°23.8°
H2CBIH3H4120.0°119.9°
H5CBJH6H7120.0°120.0°
H8CBKH9H10120.0°120.0°
H11CBFCBGH120.2°0.0°
H13CBDCBCH140.3°0.1°
H16NAXCAWH17100.6°120.0°
H16NAXCAWH1822.0°120.0°
H17CAWCAVH19128.5°180.0°
H17CAWCAVH2010.4°60.0°
H18CAWCAVH19108.8°60.0°
H18CAWCAVH20133.1°179.9°
H19CAVCATH21116.3°173.9°
H19CAVCATH22126.4°66.2°
H20CAVCATH211.8°53.8°
H20CAVCATH22115.5°173.8°
H24CAUCBMH2563.9°54.0°
H24CAUCBMH2656.1°66.0°
H24CAUCBMH27176.1°174.0°
H24CAUCBLH2863.9°178.6°
H24CAUCBLH29176.0°58.6°
H24CAUCBLH3056.1°61.4°
H25CBMH26H27119.9°119.9°
H28CBLH29H30119.9°120.1°
H31CARCANH33160.0°170.7°
H32CARCANH3380.5°69.4°
H33CANCAMH34113.8°146.2°
H34CAMOAQH3557.3°57.4°
H34CAMCALH3627.5°0.0°
H36CALOAPH3756.1°61.1°
H36CALCAKH38162.1°146.4°
H39CAHCAIH400.0°0.0°

222624

PDB entries from 2024-07-17

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