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IUG

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O5C1sing1.43Å1.43Å
C1O1sing1.43Å1.42Å
C1C2sing1.53Å1.53Å
C1H1sing1.09Å1.10Å
PBTO1sing1.61Å1.60Å
C3C2sing1.53Å1.52Å
C2O2sing1.43Å1.44Å
C2H2sing1.09Å1.10Å
O2HO2sing0.97Å0.95Å
C4C3sing1.53Å1.53Å
C3O3sing1.43Å1.43Å
C3H3sing1.09Å1.10Å
O3HO3sing0.97Å0.95Å
C5C4sing1.53Å1.53Å
O4C4sing1.43Å1.44Å
C4H4sing1.09Å1.10Å
O4HO4sing0.97Å0.95Å
C6C5sing1.53Å1.52Å
C5O5sing1.43Å1.43Å
C5H5sing1.09Å1.10Å
O6C6sing1.43Å1.42Å
C6H6sing1.09Å1.10Å
C6H6Asing1.09Å1.10Å
CATO6sing1.43Å1.45Å
C2'C1'sing1.55Å1.52Å
O4'C1'sing1.44Å1.43Å
NBQC1'sing1.46Å1.47Å
C1'H1'sing1.09Å1.10Å
C3'C2'sing1.55Å1.50Å
C2'O2'sing1.43Å1.43Å
C2'H2'sing1.09Å1.10Å
O2'HO2'sing0.97Å0.95Å
O3'C3'sing1.43Å1.43Å
C3'C4'sing1.54Å1.52Å
C3'H3'sing1.09Å1.10Å
O3'HO3'sing0.97Å0.95Å
C5'C4'sing1.53Å1.52Å
C4'O4'sing1.44Å1.43Å
C4'H4'sing1.09Å1.10Å
O5'C5'sing1.43Å1.42Å
C5'H5'sing1.09Å1.10Å
C5'H5'Asing1.09Å1.10Å
PBSO5'sing1.61Å1.60Å
OAACBFdoub1.22Å1.26Å
CBGOABdoub1.22Å1.25Å
NBROACdoub1.22Å1.23Å
OADPBSdoub1.48Å1.51Å
OAEPBTdoub1.48Å1.51Å
OAKNBRsing1.22Å1.22Å
OAKHOAKsing0.97Å0.95Å
OALPBSsing1.61Å1.51Å
OALHOALsing0.97Å0.95Å
OAMPBTsing1.61Å1.51Å
OAMHOAMsing0.97Å0.95Å
CAOCANdoub1.39Å1.39ÅAromatic
CANCAPsing1.39Å1.39ÅAromatic
CANHANsing1.08Å1.08Å
CAOCAQsing1.38Å1.39ÅAromatic
CAOHAOsing1.08Å1.08Å
CAPCBDdoub1.38Å1.40ÅAromatic
CAPHAPsing1.08Å1.08Å
CAQCBEdoub1.41Å1.39ÅAromatic
CAQHAQsing1.08Å1.08Å
CARCASdoub1.35Å1.39Å
CARCBFsing1.42Å1.39Å
CARHARsing1.08Å1.08Å
CASNBQsing1.37Å1.34Å
CASHASsing1.08Å1.08Å
CBDCATsing1.51Å1.49Å
CATHATsing1.09Å1.10Å
CATHATAsing1.09Å1.10Å
CBFNAWsing1.35Å1.34Å
NAWCBGsing1.35Å1.35Å
PBTOBCsing1.61Å1.61Å
OBCPBSsing1.61Å1.61Å
CBECBDsing1.41Å1.39ÅAromatic
CBENBRsing1.34Å1.41Å
NBQCBGsing1.35Å1.34Å
NAWHNAWsing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O5C1O1107.4°109.5°
O5C1C2109.5°109.4°
O5C1H1110.9°109.5°
C1O5C5113.1°114.1°
O1C1C2108.6°109.5°
O1C1H1111.0°109.5°
C1O1PBT120.0°123.0°
C2C1H1109.5°109.5°
C1C2C3108.1°109.2°
C1C2O2111.6°109.5°
C1C2H2107.9°109.6°
O1PBTOAE108.6°109.5°
O1PBTOAM111.8°109.5°
O1PBTOBC94.3°109.4°
C3C2O2112.4°109.5°
C3C2H2107.9°109.5°
C2C3C4109.6°109.0°
C2C3O3109.4°109.5°
C2C3H3108.6°109.5°
O2C2H2108.9°109.5°
C2O2HO2109.5°114.0°
C4C3O3110.7°109.6°
C4C3H3108.5°109.6°
C3C4C5112.4°109.1°
C3C4O4112.3°109.5°
C3C4H4107.8°109.5°
O3C3H3109.9°109.6°
C3O3HO3109.5°114.0°
C5C4O4107.6°109.6°
C5C4H4107.8°109.5°
C4C5C6108.3°109.4°
C4C5O5112.9°109.4°
C4C5H5109.0°109.5°
O4C4H4109.0°109.5°
C4O4HO4109.5°113.9°
C6C5O5107.1°109.4°
C6C5H5109.1°109.5°
C5C6O6110.9°109.4°
C5C6H6109.1°109.4°
C5C6H6A109.1°109.5°
O5C5H5110.3°109.5°
O6C6H6109.1°109.5°
O6C6H6A109.1°109.5°
C6O6CAT117.0°114.0°
H6C6H6A109.5°109.5°
O6CATCBD120.8°109.4°
O6CATHAT106.6°109.5°
O6CATHATA106.6°109.5°
C2'C1'O4'106.9°103.5°
C2'C1'NBQ110.9°110.6°
C2'C1'H1'109.8°110.6°
C1'C2'C3'103.2°102.1°
C1'C2'O2'108.9°110.9°
C1'C2'H2'111.6°110.9°
O4'C1'NBQ107.8°110.8°
O4'C1'H1'111.0°110.6°
C1'O4'C4'108.6°107.0°
NBQC1'H1'110.4°110.6°
C1'NBQCAS119.6°119.7°
C1'NBQCBG120.4°119.7°
C3'C2'O2'107.8°110.9°
C3'C2'H2'111.9°110.9°
C2'C3'O3'110.4°110.5°
C2'C3'C4'101.0°104.2°
C2'C3'H3'110.3°110.5°
O2'C2'H2'112.9°110.8°
C2'O2'HO2'109.5°114.0°
O3'C3'C4'113.4°110.5°
O3'C3'H3'111.3°110.5°
C3'O3'HO3'109.5°114.0°
C4'C3'H3'110.0°110.5°
C3'C4'C5'114.3°109.8°
C3'C4'O4'104.9°107.3°
C3'C4'H4'108.4°109.9°
C5'C4'O4'110.9°109.9°
C5'C4'H4'108.5°110.0°
C4'C5'O5'109.3°109.4°
C4'C5'H5'109.5°109.5°
C4'C5'H5'A109.5°109.5°
O4'C4'H4'109.7°109.9°
O5'C5'H5'109.5°109.5°
O5'C5'H5'A109.5°109.5°
C5'O5'PBS118.7°123.0°
H5'C5'H5'A109.5°109.5°
O5'PBSOAD111.9°109.5°
O5'PBSOAL105.6°109.5°
O5'PBSOBC101.2°109.5°
OAACBFCAR120.7°120.3°
OAACBFNAW120.0°120.3°
OABCBGNAW119.4°119.5°
OABCBGNBQ119.8°119.5°
OACNBROAK119.0°120.0°
OACNBRCBE123.6°120.1°
OADPBSOAL120.3°109.5°
OADPBSOBC108.5°109.5°
OAEPBTOAM119.1°109.5°
OAEPBTOBC108.9°109.5°
NBROAKHOAK109.5°117.0°
OAKNBRCBE117.4°120.0°
PBSOALHOAL109.5°114.0°
OALPBSOBC107.5°109.5°
PBTOAMHOAM109.5°114.0°
OAMPBTOBC111.3°109.4°
CAOCANCAP119.7°120.5°
CAOCANHAN120.2°119.8°
CANCAOCAQ119.5°120.2°
CANCAOHAO120.2°119.9°
CAPCANHAN120.2°119.7°
CANCAPCBD121.1°120.2°
CANCAPHAP119.4°119.9°
CAQCAOHAO120.3°119.9°
CAOCAQCBE121.1°119.8°
CAOCAQHAQ119.4°120.2°
CBDCAPHAP119.5°119.8°
CAPCBDCAT119.1°120.2°
CAPCBDCBE119.2°119.8°
CBECAQHAQ119.4°120.1°
CAQCBECBD119.5°119.5°
CAQCBENBR117.0°120.3°
CASCARCBF118.2°119.1°
CASCARHAR120.9°120.4°
CARCASNBQ120.4°119.7°
CARCASHAS119.8°120.2°
CBFCARHAR120.9°120.4°
CARCBFNAW119.3°119.4°
NBQCASHAS119.8°120.2°
CASNBQCBG120.0°120.6°
CBDCATHAT106.6°109.5°
CBDCATHATA106.6°109.5°
CATCBDCBE121.7°120.1°
HATCATHATA109.5°109.5°
CBFNAWCBG121.2°120.2°
CBFNAWHNAW119.4°119.9°
NAWCBGNBQ120.9°120.9°
CBGNAWHNAW119.4°119.8°
PBTOBCPBS125.1°134.0°
CBDCBENBR123.5°120.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O5C1O1C2118.3°119.9°
O5C1O1H1121.3°120.0°
O5C1C2H1121.7°120.0°
O5C1O1PBT84.4°90.1°
O5C1C2C364.0°57.6°
O5C1C2O2172.0°177.5°
O5C1C2H252.4°62.4°
C1O5C5C453.6°61.2°
C1O5C5C6172.7°178.9°
C1O5C5H568.6°58.8°
O1C1C2H1121.3°120.1°
O1C1C2C352.9°62.3°
O1C1C2O271.1°57.6°
O1C1C2H2169.3°177.7°
O1C1O5C555.2°58.8°
C1O1PBTOAE133.5°55.1°
C1O1PBTOAM0.1°65.0°
C1O1PBTOBC115.0°175.0°
C2C1O1PBT157.3°150.0°
C1C2C3O2123.5°119.9°
C1C2C3H2116.4°120.0°
C1C2O2H2119.0°120.2°
C1C2O2HO2180.0°60.0°
C1C2C3C457.4°57.0°
C1C2C3O3178.9°176.9°
C1C2C3H361.1°62.9°
C2C1O5C562.5°61.2°
H1C1O1PBT36.9°29.9°
H1C1C2C3174.2°177.6°
H1C1C2O250.3°62.5°
H1C1C2H269.4°57.6°
H1C1O5C5176.6°178.8°
O1PBTOAEOAM129.4°120.1°
O1PBTOAEOBC101.5°120.0°
O1PBTOAMOBC104.1°120.0°
O1PBTOAMHOAM128.0°59.9°
O1PBTOBCPBS141.9°165.0°
C3C2O2H2119.5°120.1°
C3C2O2HO258.5°179.7°
C2C3C4O3120.8°119.9°
C2C3C4H3118.5°119.9°
C2C3O3H3119.2°120.1°
C2C3O3HO3180.0°60.0°
C2C3C4C549.4°57.0°
C2C3C4O472.0°63.0°
C2C3C4H4168.0°176.9°
O2C2C3C4179.1°176.9°
O2C2C3O357.6°63.2°
O2C2C3H362.4°57.0°
H2C2O2HO261.1°60.2°
H2C2C3C459.0°63.0°
H2C2C3O362.5°56.9°
H2C2C3H3177.5°177.1°
C4C3O3H3119.9°120.3°
C4C3O3HO359.1°179.6°
C3C4C5O4124.0°119.9°
C3C4C5H4118.6°119.9°
C3C4O4H4119.3°120.1°
C3C4O4HO4180.0°60.0°
C3C4C5C6165.1°177.6°
C3C4C5O546.7°57.7°
C3C4C5H576.3°62.4°
O3C3C4C5170.2°176.8°
O3C3C4O448.8°56.9°
O3C3C4H471.2°63.3°
H3C3O3HO360.8°60.1°
H3C3C4C569.1°62.9°
H3C3C4O4169.5°177.2°
H3C3C4H449.5°57.0°
C5C4O4H4116.6°120.2°
C5C4O4HO455.9°179.7°
C4C5C6O5122.1°119.9°
C4C5C6H5118.5°120.0°
C4C5O5H5122.2°120.1°
C4C5C6O6179.2°175.0°
C4C5C6H660.6°55.0°
C4C5C6H6A59.0°65.0°
O4C4C5C641.1°57.6°
O4C4C5O577.4°62.3°
O4C4C5H5159.7°177.7°
H4C4O4HO460.7°60.1°
H4C4C5C676.3°62.5°
H4C4C5O5165.3°177.5°
H4C4C5H542.3°57.5°
C6C5O5H5118.7°120.0°
C5C6O6H6120.2°119.9°
C5C6O6H6A120.2°120.0°
C5C6H6H6A119.3°120.0°
C5C6O6CAT147.3°180.0°
O5C5C6O657.1°65.1°
O5C5C6H6177.3°174.9°
O5C5C6H6A63.1°54.9°
H5C5C6O662.3°55.0°
H5C5C6H657.9°65.0°
H5C5C6H6A177.5°175.0°
O6C6H6H6A119.3°120.0°
C6O6CATCBD78.5°180.0°
C6O6CATHAT43.1°60.0°
C6O6CATHATA159.9°60.0°
H6C6O6CAT92.5°60.0°
H6AC6O6CAT27.1°60.0°
O6CATCBDCAP0.2°0.1°
O6CATCBDHAT121.6°120.1°
O6CATCBDHATA121.6°120.0°
O6CATHATHATA114.9°120.0°
O6CATCBDCBE179.1°179.5°
C2'C1'O4'NBQ119.3°118.6°
C2'C1'O4'H1'119.7°118.4°
C2'C1'NBQH1'121.9°122.8°
C1'C2'C3'O2'115.1°118.3°
C1'C2'C3'H2'120.1°118.2°
C1'C2'O2'H2'124.6°123.6°
C1'C2'O2'HO2'180.0°180.0°
C1'C2'C3'O3'156.3°97.8°
C1'C2'C3'C4'36.0°20.8°
C1'C2'C3'H3'80.2°139.6°
C2'C1'O4'C4'1.7°40.0°
C2'C1'NBQCAS107.7°117.2°
C2'C1'NBQCBG74.9°62.9°
O4'C1'NBQH1'121.4°123.0°
O4'C1'C2'C3'22.5°37.0°
O4'C1'C2'O2'91.8°155.2°
O4'C1'C2'H2'142.8°81.3°
C1'O4'C4'C3'25.1°26.5°
C1'O4'C4'C5'148.9°145.9°
C1'O4'C4'H4'91.2°92.9°
O4'C1'NBQCAS9.0°128.6°
O4'C1'NBQCBG168.4°51.3°
NBQC1'C2'C3'94.7°155.7°
NBQC1'C2'O2'150.9°86.1°
NBQC1'C2'H2'25.5°37.4°
NBQC1'O4'C4'121.0°158.6°
C1'NBQCBGOAB2.0°0.1°
C1'NBQCASCAR178.9°180.0°
C1'NBQCASCBG177.4°179.9°
C1'NBQCASHAS1.1°0.0°
C1'NBQCBGNAW178.8°180.0°
H1'C1'C2'C3'143.0°81.5°
H1'C1'C2'O2'28.7°36.8°
H1'C1'C2'H2'96.7°160.3°
H1'C1'O4'C4'118.0°78.4°
H1'C1'NBQCAS130.4°5.6°
H1'C1'NBQCBG47.0°174.3°
C3'C2'O2'H2'124.1°123.7°
C3'C2'O2'HO2'68.7°67.3°
C2'C3'O3'C4'112.5°114.7°
C2'C3'O3'H3'122.9°122.7°
C2'C3'C4'H3'116.5°118.7°
C2'C3'O3'HO3'180.0°61.5°
C2'C3'C4'C5'159.8°121.5°
C2'C3'C4'O4'38.1°2.0°
C2'C3'C4'H4'79.0°117.4°
O2'C2'C3'O3'41.1°20.5°
O2'C2'C3'C4'79.1°139.1°
O2'C2'C3'H3'164.6°102.2°
H2'C2'O2'HO2'55.4°56.4°
H2'C2'C3'O3'83.6°144.0°
H2'C2'C3'C4'156.2°97.3°
H2'C2'C3'H3'39.9°21.4°
O3'C3'C4'H3'125.4°122.6°
O3'C3'C4'C5'82.1°119.9°
O3'C3'C4'O4'156.2°120.7°
O3'C3'C4'H4'39.1°1.3°
C4'C3'O3'HO3'67.5°176.2°
C3'C4'C5'O4'118.3°117.8°
C3'C4'C5'H4'121.1°121.1°
C3'C4'O4'H4'116.2°119.4°
C3'C4'C5'O5'53.9°175.0°
C3'C4'C5'H5'173.8°55.0°
C3'C4'C5'H5'A66.1°65.0°
H3'C3'O3'HO3'57.1°61.2°
H3'C3'C4'C5'43.3°2.8°
H3'C3'C4'O4'78.4°116.7°
H3'C3'C4'H4'164.5°123.9°
C5'C4'O4'H4'119.9°121.2°
C4'C5'O5'H5'120.0°120.0°
C4'C5'O5'H5'A119.9°120.0°
C4'C5'H5'H5'A120.1°120.0°
C4'C5'O5'PBS111.6°180.0°
O4'C4'C5'O5'64.5°67.2°
O4'C4'C5'H5'55.5°172.8°
O4'C4'C5'H5'A175.6°52.8°
H4'C4'C5'O5'175.0°53.9°
H4'C4'C5'H5'65.1°66.1°
H4'C4'C5'H5'A55.0°173.9°
O5'C5'H5'H5'A120.1°120.0°
C5'O5'PBSOAD37.4°55.0°
C5'O5'PBSOAL170.1°65.0°
C5'O5'PBSOBC78.0°175.0°
H5'C5'O5'PBS128.4°60.0°
H5'AC5'O5'PBS8.4°60.0°
O5'PBSOADOAL124.9°120.0°
O5'PBSOADOBC110.9°120.0°
O5'PBSOALOBC107.5°120.0°
O5'PBSOALHOAL127.8°60.0°
O5'PBSOBCPBT160.1°165.0°
OAACBFCARCAS179.9°180.0°
OAACBFCARNAW179.9°179.9°
OAACBFCARHAR0.1°0.3°
OAACBFNAWCBG180.0°180.0°
OAACBFNAWHNAW0.0°0.1°
OABCBGNBQCAS179.3°180.0°
OABCBGNAWCBF180.0°180.0°
OABCBGNAWNBQ179.2°180.0°
OABCBGNAWHNAW0.0°0.0°
OACNBROAKCBE178.1°179.9°
OACNBROAKHOAK0.0°0.1°
OACNBRCBECAQ150.8°180.0°
OACNBRCBECBD30.3°0.2°
OADPBSOALOBC124.8°120.0°
OADPBSOALHOAL0.0°180.0°
OADPBSOBCPBT42.1°45.0°
OAEPBTOAMOBC128.0°120.0°
OAEPBTOAMHOAM0.0°180.0°
OAEPBTOBCPBS106.8°45.0°
OAKNBRCBECAQ27.2°0.1°
OAKNBRCBECBD151.7°179.7°
HOAKOAKNBRCBE178.1°180.0°
OALPBSOBCPBT89.5°75.0°
HOALOALPBSOBC124.7°60.0°
OAMPBTOBCPBS26.5°75.0°
HOAMOAMPBTOBC128.0°60.1°
CAOCANCAPHAN180.0°179.8°
CANCAOCAQHAO180.0°179.9°
CAOCANCAPCBD0.2°0.2°
CAOCANCAPHAP179.8°179.8°
CANCAOCAQCBE0.3°0.0°
CANCAOCAQHAQ179.7°179.9°
CAPCANCAOCAQ0.0°0.1°
CAPCANCAOHAO180.0°180.0°
CANCAPCBDHAP180.0°180.0°
CANCAPCBDCAT179.7°180.0°
CANCAPCBDCBE0.7°0.5°
HANCANCAOCAQ179.9°179.7°
HANCANCAOHAO0.0°0.2°
HANCANCAPCBD179.9°180.0°
HANCANCAPHAP0.1°0.0°
CAOCAQCBEHAQ180.0°179.9°
CAOCAQCBECBD0.8°0.2°
CAOCAQCBENBR179.8°180.0°
HAOCAOCAQCBE179.7°180.0°
HAOCAOCAQHAQ0.3°0.1°
CAPCBDCBECAQ1.0°0.5°
CAPCBDCATCBE178.9°179.5°
CAPCBDCATHAT121.4°120.0°
CAPCBDCATHATA121.7°120.0°
CAPCBDCBENBR179.9°179.7°
HAPCAPCBDCAT0.3°0.1°
HAPCAPCBDCBE179.3°179.5°
CAQCBECBDCAT179.9°180.0°
CAQCBECBDNBR178.9°179.8°
HAQCAQCBECBD179.2°179.7°
HAQCAQCBENBR0.2°0.1°
CASCARCBFHAR180.0°179.7°
CARCASNBQHAS180.0°180.0°
CASCARCBFNAW0.2°0.1°
CARCASNBQCBG1.6°0.0°
CBFCARCASNBQ0.9°0.0°
CBFCARCASHAS179.1°180.0°
CARCBFNAWCBG0.1°0.1°
CARCBFNAWHNAW179.9°180.0°
HARCARCASNBQ179.1°179.7°
HARCARCASHAS0.9°0.3°
HARCARCBFNAW179.8°179.7°
CASNBQCBGNAW1.5°0.1°
HASCASNBQCBG178.5°179.9°
CBDCATHATHATA114.9°120.0°
CATCBDCBENBR1.2°0.3°
HATCATCBDCBE57.5°59.5°
HATACATCBDCBE59.3°60.5°
CBFNAWCBGHNAW180.0°179.9°
CBFNAWCBGNBQ0.7°0.0°
NBQCBGNAWHNAW179.3°180.0°

223532

PDB entries from 2024-08-07

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