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1RQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OABCAZsing1.36Å1.37Å
CAGCAZdoub1.39Å1.39ÅAromatic
CAGCALsing1.37Å1.39ÅAromatic
CAZCANsing1.39Å1.40ÅAromatic
CAOCASsing1.53Å1.54Å
CAOCAPsing1.53Å1.55Å
CASNBKsing1.47Å1.50Å
CAPCBIsing1.53Å1.56Å
CALCBGdoub1.40Å1.34ÅAromatic
CANCBHdoub1.39Å1.35ÅAromatic
CBGCBHsing1.41Å1.34ÅAromatic
CBGNAWsing1.36Å1.33ÅAromatic
CBHNBLsing1.38Å1.35ÅAromatic
NBKCATsing1.47Å1.49Å
NBKCAYsing1.35Å1.36Å
CBICATsing1.53Å1.53Å
CBINAXsing1.46Å1.47Å
OAACAYdoub1.21Å1.23Å
NAWCBDdoub1.31Å1.32ÅAromatic
NBLC4sing1.39Å1.34Å
NBLCBDsing1.37Å1.35ÅAromatic
N3C4doub1.33Å1.34ÅAromatic
N3C2sing1.33Å1.34ÅAromatic
NAXC2sing1.38Å1.34Å
CAYCBJsing1.51Å1.54Å
C4C5sing1.39Å1.40ÅAromatic
C2N1doub1.32Å1.34ÅAromatic
CBDCBAsing1.48Å1.34Å
C5C6doub1.38Å1.39ÅAromatic
N1C6sing1.32Å1.40ÅAromatic
CAMCBAdoub1.38Å1.39ÅAromatic
CAMCBFsing1.40Å1.40ÅAromatic
CBACAHsing1.41Å1.41ÅAromatic
CBJCAQsing1.53Å1.53Å
CBJCARsing1.53Å1.54Å
CAJCBFdoub1.41Å1.39ÅAromatic
CAJCADsing1.36Å1.40ÅAromatic
CBFCBEsing1.42Å1.41ÅAromatic
CAQCARsing1.53Å1.52Å
CAHCAKdoub1.36Å1.40ÅAromatic
CADCACdoub1.39Å1.40ÅAromatic
CBECAKsing1.41Å1.39ÅAromatic
CBECAIdoub1.40Å1.39ÅAromatic
CACCAIsing1.36Å1.39ÅAromatic
C5H1sing1.08Å1.08Å
C6H2sing1.08Å1.08Å
CAQH3sing1.09Å1.10Å
CAQH4sing1.09Å1.10Å
CARH5sing1.09Å1.10Å
CARH6sing1.09Å1.10Å
CBJH7sing1.09Å1.10Å
CATH8sing1.09Å1.10Å
CATH9sing1.09Å1.10Å
CASH10sing1.09Å1.10Å
CASH11sing1.09Å1.10Å
CAOH12sing1.09Å1.10Å
CAOH13sing1.09Å1.10Å
CAPH14sing1.09Å1.10Å
CAPH15sing1.09Å1.10Å
CBIH16sing1.09Å1.10Å
NAXH17sing0.97Å1.00Å
CANH18sing1.08Å1.08Å
OABH19sing0.97Å0.95Å
CAGH20sing1.08Å1.08Å
CALH21sing1.08Å1.08Å
CAMH22sing1.08Å1.08Å
CAJH23sing1.08Å1.08Å
CADH24sing1.08Å1.08Å
CACH25sing1.08Å1.08Å
CAIH26sing1.08Å1.08Å
CAKH27sing1.08Å1.08Å
CAHH28sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OABCAZCAG119.9°119.9°
OABCAZCAN121.3°119.8°
CAZOABH19109.5°114.0°
CAZCAGCAL117.7°120.6°
CAGCAZCAN118.8°120.3°
CAZCAGH20121.1°119.7°
CAGCALCBG120.9°120.0°
CALCAGH20121.1°119.7°
CAGCALH21119.6°120.0°
CAZCANCBH121.0°119.7°
CAZCANH18119.5°120.1°
CASCAOCAP111.3°109.3°
CAOCASNBK112.7°108.8°
CAOCASH10108.6°109.6°
CAOCASH11108.7°109.7°
CASCAOH12109.0°109.5°
CASCAOH13109.0°109.5°
CAOCAPCBI109.7°109.6°
CAPCAOH12109.0°109.5°
CAPCAOH13109.0°109.5°
CAOCAPH14109.4°109.5°
CAOCAPH15109.4°109.4°
CASNBKCAT119.2°118.7°
CASNBKCAY119.3°120.7°
NBKCASH10108.7°109.6°
NBKCASH11108.6°109.6°
CAPCBICAT110.2°109.6°
CAPCBINAX110.7°109.5°
CBICAPH14109.4°109.5°
CBICAPH15109.4°109.3°
CAPCBIH16108.9°109.5°
CALCBGCBH122.0°119.5°
CALCBGNAW130.1°133.2°
CBGCALH21119.6°120.0°
CANCBHCBG119.6°119.9°
CANCBHNBL132.4°133.9°
CBHCANH18119.5°120.2°
CBHCBGNAW107.9°107.3°
CBGCBHNBL108.0°106.2°
CBGNAWCBD108.9°109.7°
CBHNBLC4123.6°126.4°
CBHNBLCBD106.7°107.1°
CATNBKCAY121.6°120.6°
NBKCATCBI112.1°108.8°
NBKCATH8108.8°109.6°
NBKCATH9108.8°109.6°
NBKCAYOAA123.3°120.0°
NBKCAYCBJ117.0°120.0°
CATCBINAX107.5°109.6°
CBICATH8108.8°109.6°
CBICATH9108.8°109.7°
CATCBIH16109.4°109.1°
CBINAXC2123.6°120.0°
NAXCBIH16110.2°109.5°
CBINAXH17105.8°120.0°
OAACAYCBJ119.7°120.0°
NAWCBDNBL108.5°109.7°
NAWCBDCBA123.5°125.1°
C4NBLCBD129.6°126.5°
NBLC4N3120.6°120.5°
NBLC4C5120.7°120.5°
NBLCBDCBA128.0°125.1°
C4N3C2122.6°120.6°
N3C4C5118.5°119.1°
N3C2NAX120.5°119.2°
N3C2N1120.6°121.6°
NAXC2N1118.9°119.2°
C2NAXH17105.8°120.0°
CAYCBJCAQ115.2°117.5°
CAYCBJCAR116.9°117.5°
CAYCBJH7117.4°115.6°
C4C5C6119.4°118.5°
C4C5H1120.3°120.8°
C2N1C6120.0°121.0°
CBDCBACAM122.9°119.8°
CBDCBACAH118.3°119.7°
C5C6N1118.9°119.2°
C6C5H1120.3°120.7°
C5C6H2120.6°120.4°
N1C6H2120.5°120.4°
CBACAMCBF119.6°119.5°
CAMCBACAH118.8°120.5°
CBACAMH22120.2°120.3°
CAMCBFCAJ119.3°121.1°
CAMCBFCBE120.8°119.5°
CBFCAMH22120.2°120.2°
CBACAHCAK122.1°120.8°
CBACAHH28118.9°119.6°
CAQCBJCAR59.5°60.0°
CBJCAQCAR60.4°60.0°
CBJCAQH3119.9°117.5°
CBJCAQH4119.9°117.5°
CAQCBJH7117.6°117.5°
CBJCARCAQ60.1°60.0°
CBJCARH5120.0°117.5°
CBJCARH6120.0°117.6°
CARCBJH7117.5°117.5°
CBFCAJCAD119.1°119.7°
CAJCBFCBE119.9°119.4°
CBFCAJH23120.4°120.2°
CAJCADCAC120.8°120.9°
CADCAJH23120.5°120.1°
CAJCADH24119.6°119.6°
CBFCBECAK120.2°119.7°
CBFCBECAI120.7°119.3°
CARCAQH3120.0°117.5°
CARCAQH4119.9°117.5°
CAQCARH5120.0°117.5°
CAQCARH6120.0°117.5°
CAHCAKCBE118.5°120.0°
CAHCAKH27120.7°120.0°
CAKCAHH28119.0°119.6°
CADCACCAI120.3°121.0°
CACCADH24119.6°119.5°
CADCACH25119.8°119.5°
CAKCBECAI119.1°121.0°
CBECAKH27120.8°120.0°
CBECAICAC119.3°119.7°
CBECAIH26120.4°120.1°
CAICACH25119.9°119.5°
CACCAIH26120.4°120.1°
H3CAQH4109.5°115.5°
H5CARH6109.5°115.5°
H8CATH9109.5°109.6°
H10CASH11109.5°109.6°
H12CAOH13109.5°109.5°
H14CAPH15109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OABCAZCAGCAN179.9°180.0°
OABCAZCAGCAL179.9°180.0°
OABCAZCANCBH179.9°180.0°
OABCAZCANH180.1°0.1°
OABCAZCAGH200.1°0.1°
CAZCAGCALH20180.0°180.0°
CAZCAGCALCBG0.1°0.0°
CAGCAZCANCBH0.0°0.0°
CAGCAZCANH18179.9°179.9°
CAGCAZOABH19180.0°90.0°
CAZCAGCALH21180.0°180.0°
CALCAGCAZCAN0.1°0.0°
CAGCALCBGH21180.0°180.0°
CAGCALCBGCBH0.3°0.0°
CAGCALCBGNAW179.6°180.0°
CAZCANCBHH18180.0°179.9°
CAZCANCBHCBG0.2°0.0°
CAZCANCBHNBL179.9°180.0°
CANCAZOABH190.1°90.0°
CANCAZCAGH20179.9°179.9°
CASCAOCAPH12120.3°119.9°
CASCAOCAPH13120.3°120.0°
CAOCASNBKH10120.5°119.8°
CAOCASNBKH11120.5°119.9°
CASCAOCAPCBI57.5°61.2°
CAOCASNBKCAT42.2°53.6°
CAOCASNBKCAY138.3°126.1°
CAOCASH10H11118.5°120.4°
CASCAOH12H13119.2°120.1°
CASCAOCAPH14177.5°178.6°
CASCAOCAPH1562.5°58.6°
CAPCAOCASNBK47.4°54.6°
CAOCAPCBIH14120.0°120.1°
CAOCAPCBIH15120.0°119.9°
CAOCAPCBICAT60.1°61.1°
CAOCAPCBINAX178.8°178.7°
CAPCAOCASH1073.1°174.4°
CAPCAOCASH11167.8°65.2°
CAPCAOH12H13119.2°120.1°
CAOCAPH14H15119.9°120.0°
CAOCAPCBIH1659.9°58.6°
CASNBKCATCAY179.5°179.7°
CASNBKCATCBI45.0°53.3°
CASNBKCAYOAA1.0°179.7°
CASNBKCAYCBJ179.0°0.2°
CASNBKCATH875.4°66.4°
CASNBKCATH9165.4°173.3°
NBKCASH10H11118.5°120.3°
NBKCASCAOH1272.9°65.3°
NBKCASCAOH13167.6°174.6°
CAPCBICATNBK52.5°54.3°
CAPCBICATNAX120.7°120.2°
CAPCBICATH16119.7°119.9°
CAPCBINAXH16120.5°120.1°
CAPCBINAXC281.0°84.9°
CAPCBICATH867.9°65.4°
CAPCBICATH9172.9°174.2°
CBICAPCAOH1262.8°58.7°
CBICAPCAOH13177.7°178.8°
CBICAPH14H15119.9°119.9°
CAPCBINAXH1741.0°95.0°
CALCBGCBHCAN0.3°0.0°
CALCBGCBHNAW179.9°180.0°
CALCBGCBHNBL179.7°180.0°
CALCBGNAWCBD179.9°179.8°
CBGCALCAGH20179.9°179.9°
CANCBHCBGNBL179.9°180.0°
CANCBHCBGNAW179.6°180.0°
CANCBHNBLC42.3°0.0°
CANCBHNBLCBD179.6°179.7°
CBHCBGNAWCBD0.2°0.2°
CBGCBHNBLC4177.6°180.0°
CBGCBHNBLCBD0.4°0.2°
CBGCBHCANH18179.9°179.9°
CBHCBGCALH21179.7°180.0°
NAWCBGCBHNBL0.4°0.0°
CBGNAWCBDNBL0.0°0.4°
CBGNAWCBDCBA177.8°179.7°
NAWCBGCALH210.4°0.0°
CBHNBLCBDNAW0.2°0.4°
CBHNBLC4CBD176.6°179.7°
CBHNBLC4N328.7°130.6°
CBHNBLC4C5146.5°49.6°
CBHNBLCBDCBA177.9°179.8°
NBLCBHCANH180.0°0.1°
NBKCATCBIH8120.4°119.8°
NBKCATCBIH9120.4°119.9°
NBKCATCBINAX173.2°174.5°
CATNBKCAYOAA179.5°0.0°
CATNBKCAYCBJ0.5°180.0°
NBKCATH8H9118.8°120.3°
CATNBKCASH1078.3°173.4°
CATNBKCASH11162.6°66.3°
NBKCATCBIH1667.2°65.6°
CAYNBKCATCBI135.5°126.4°
NBKCAYOAACBJ179.9°179.9°
NBKCAYCBJCAQ128.7°180.0°
NBKCAYCBJCAR164.3°111.4°
NBKCAYCBJH716.5°34.2°
CAYNBKCATH8104.1°113.8°
CAYNBKCATH915.1°6.4°
CAYNBKCASH10101.2°6.4°
CAYNBKCASH1117.8°113.9°
CATCBINAXH16119.1°119.7°
CATCBINAXC2158.6°154.8°
CBICATH8H9118.8°120.4°
CATCBICAPH14179.9°178.8°
CATCBICAPH1559.9°58.9°
CATCBINAXH1779.4°25.3°
CBINAXC2N37.8°180.0°
CBINAXC2H17121.9°180.0°
CBINAXC2N1172.3°0.0°
NAXCBICATH852.9°54.8°
NAXCBICATH966.4°65.6°
NAXCBICAPH1461.1°58.6°
NAXCBICAPH1558.8°61.4°
OAACAYCBJCAQ51.3°0.1°
OAACAYCBJCAR15.8°68.7°
OAACAYCBJH7163.5°145.7°
NAWCBDNBLC4177.2°179.9°
NAWCBDNBLCBA177.6°179.9°
NAWCBDCBACAM50.5°31.1°
NAWCBDCBACAH127.5°149.1°
NBLC4N3C5175.3°179.7°
NBLC4N3C2178.2°179.7°
C4NBLCBDCBA5.1°0.0°
NBLC4C5C6178.5°179.7°
NBLC4C5H11.5°0.3°
CBDNBLC4N3154.7°49.0°
CBDNBLC4C530.1°130.7°
NBLCBDCBACAM132.2°149.1°
NBLCBDCBACAH49.8°30.7°
C4N3C2NAX179.2°180.0°
C4N3C2N10.7°0.1°
N3C4C5C63.2°0.0°
N3C4C5H1176.8°180.0°
N3C2NAXN1179.9°180.0°
C2N3C4C52.9°0.0°
N3C2N1C61.3°0.0°
N3C2NAXH17129.8°0.0°
NAXC2N1C6178.8°180.0°
C2NAXCBIH1639.6°35.1°
CAYCBJCAQCAR107.6°107.4°
CAYCBJCAQH7145.1°145.1°
CAYCBJCARH7147.7°145.0°
CAYCBJCAQH3142.8°0.1°
CAYCBJCAQH42.0°145.0°
CAYCBJCARH54.7°145.0°
CAYCBJCARH6145.7°0.0°
C4C5C6H1180.0°180.0°
C4C5C6N11.4°0.0°
C4C5C6H2178.6°179.9°
C2N1C6C50.9°0.0°
C2N1C6H2179.2°179.9°
N1C2NAXH1750.3°180.0°
CBDCBACAMCAH178.0°179.8°
CBDCBACAMCBF179.9°180.0°
CBDCBACAHCAK179.4°179.7°
CBDCBACAMH220.1°0.0°
CBDCBACAHH280.6°0.1°
C5C6N1H2180.0°179.9°
N1C6C5H1178.6°180.0°
CBACAMCBFH22180.0°179.9°
CBACAMCBFCAJ179.0°180.0°
CBACAMCBFCBE0.5°0.1°
CAMCBACAHCAK2.5°0.5°
CAMCBACAHH28177.5°179.7°
CBFCAMCBACAH1.9°0.2°
CAMCBFCAJCBE179.6°180.0°
CAMCBFCAJCAD179.6°180.0°
CAMCBFCBECAK0.3°0.0°
CAMCBFCBECAI179.4°180.0°
CAMCBFCAJH230.4°0.0°
CBACAHCAKH28180.0°179.8°
CBACAHCAKCBE1.7°0.6°
CAHCBACAMH22178.1°179.8°
CBACAHCAKH27178.3°179.8°
CAQCBJCARH7107.4°107.5°
CBJCAQCARH3109.6°107.5°
CBJCAQCARH4109.6°107.5°
CBJCAQH3H4144.5°145.6°
CAQCBJCARH5109.5°107.5°
CAQCBJCARH6109.5°107.4°
CBJCARH5H6144.7°145.8°
CBFCAJCADH23180.0°180.0°
CBFCAJCADCAC0.4°0.0°
CAJCBFCBECAK179.8°180.0°
CAJCBFCBECAI0.2°0.0°
CAJCBFCAMH221.0°0.0°
CBFCAJCADH24179.6°179.9°
CADCAJCBFCBE0.1°0.0°
CAJCADCACH24180.0°179.9°
CAJCADCACCAI0.4°0.0°
CAJCADCACH25179.6°180.0°
CBFCBECAKCAH0.3°0.3°
CBFCBECAKCAI179.6°180.0°
CBFCBECAICAC0.1°0.0°
CBECBFCAMH22179.5°180.0°
CBECBFCAJH23179.9°179.9°
CBFCBECAIH26179.9°180.0°
CBFCBECAKH27179.7°179.9°
CARCAQH3H4144.5°145.7°
CAQCARH5H6144.7°145.6°
CAHCAKCBEH27180.0°179.6°
CAHCAKCBECAI180.0°179.7°
CADCACCAICBE0.1°0.0°
CADCACCAIH25180.0°180.0°
CACCADCAJH23179.6°179.9°
CADCACCAIH26179.8°180.0°
CAKCBECAICAC179.8°180.0°
CAKCBECAIH260.3°0.0°
CBECAKCAHH28178.3°179.7°
CBECAICACH26180.0°180.0°
CBECAICACH25179.9°180.0°
CAICBECAKH270.0°0.1°
CAICACCADH24179.6°179.9°
H1C5C6H21.4°0.1°
H3CAQCARH5140.9°145.0°
H3CAQCARH60.1°0.1°
H3CAQCBJH72.3°145.0°
H4CAQCARH50.1°0.0°
H4CAQCARH6140.9°144.9°
H4CAQCBJH7143.2°0.1°
H5CARCBJH7143.1°0.0°
H6CARCBJH72.1°145.0°
H8CATCBIH16172.5°174.6°
H9CATCBIH1653.2°54.3°
H10CASCAOH12166.6°54.5°
H10CASCAOH1347.2°65.6°
H11CASCAOH1247.5°174.8°
H11CASCAOH1371.9°54.7°
H12CAOCAPH1457.2°61.4°
H12CAOCAPH15177.2°178.6°
H13CAOCAPH1462.3°58.7°
H13CAOCAPH1557.7°61.3°
H14CAPCBIH1660.2°61.5°
H15CAPCBIH16179.9°178.6°
H16CBINAXH17161.5°144.9°
H20CAGCALH210.1°0.0°
H23CAJCADH240.4°0.1°
H24CADCACH250.4°0.1°
H25CACCAIH260.2°0.0°
H27CAKCAHH281.7°0.0°

224931

PDB entries from 2024-09-11

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