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7I6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CABSAWsing1.81Å1.73Å
SAWCBBsing1.76Å1.74Å
CAHCBBdoub1.39Å1.38ÅAromatic
CAHCAFsing1.38Å1.37ÅAromatic
CBBCBCsing1.39Å1.41ÅAromatic
CAFCAGdoub1.38Å1.37ÅAromatic
SDCGsing1.81Å1.78Å
SDCEsing1.81Å1.67Å
CBCCBEsing1.51Å1.45Å
CBCCAIdoub1.38Å1.38ÅAromatic
CBECAQsing1.54Å1.55Å
CBENBFsing1.47Å1.52Å
OADCAXdoub1.22Å1.20Å
CAQCANsing1.55Å1.52Å
CAGCAIsing1.38Å1.34ÅAromatic
CGCBsing1.53Å1.52Å
CAXNsing1.35Å1.21Å
CAXNATsing1.35Å1.36Å
CACBsing1.53Å1.54Å
CANsing1.46Å1.42Å
CACsing1.51Å1.53Å
NATCAPsing1.46Å1.37Å
CAPCBAsing1.51Å1.45Å
NBFCsing1.35Å1.34Å
NBFCASsing1.47Å1.47Å
CANCASsing1.55Å1.56Å
COdoub1.21Å1.21Å
CBACAMdoub1.38Å1.37ÅAromatic
CBACALsing1.38Å1.39ÅAromatic
CAMCAKsing1.38Å1.37ÅAromatic
CALCAJdoub1.38Å1.36ÅAromatic
CAKCAZdoub1.39Å1.41ÅAromatic
CAJCAZsing1.39Å1.37ÅAromatic
CAZNACsing1.40Å1.35Å
CABH1sing1.09Å1.10Å
CABH2sing1.09Å1.10Å
CABH3sing1.09Å1.10Å
CAHH4sing1.08Å1.08Å
CAFH5sing1.08Å1.08Å
CAGH6sing1.08Å1.08Å
CAIH7sing1.08Å1.08Å
CBEH8sing1.09Å1.10Å
CAQH9sing1.09Å1.10Å
CAQH10sing1.09Å1.10Å
CANH11sing1.09Å1.10Å
CANH12sing1.09Å1.10Å
CASH13sing1.09Å1.10Å
CASH14sing1.09Å1.10Å
CAH15sing1.09Å1.10Å
CBH16sing1.09Å1.10Å
CBH17sing1.09Å1.10Å
CGH18sing1.09Å1.10Å
CGH19sing1.09Å1.10Å
CEH20sing1.09Å1.10Å
CEH21sing1.09Å1.10Å
CEH22sing1.09Å1.10Å
NH23sing0.97Å1.00Å
NATH24sing0.97Å1.00Å
CAPH25sing1.09Å1.10Å
CAPH26sing1.09Å1.10Å
CALH27sing1.08Å1.08Å
CAJH28sing1.08Å1.08Å
NACH29sing0.97Å1.00Å
NACH30sing0.97Å1.00Å
CAKH31sing1.08Å1.08Å
CAMH32sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CABSAWCBB105.6°103.0°
SAWCABH1109.5°109.5°
SAWCABH2109.5°109.5°
SAWCABH3109.4°109.5°
SAWCBBCAH121.8°120.1°
SAWCBBCBC117.8°120.1°
CBBCAHCAF119.5°119.9°
CAHCBBCBC120.3°119.9°
CBBCAHH4120.3°120.0°
CAHCAFCAG120.7°120.1°
CAFCAHH4120.2°120.1°
CAHCAFH5119.7°119.9°
CBBCBCCBE121.3°120.1°
CBBCBCCAI117.1°119.9°
CAFCAGCAI119.5°120.2°
CAGCAFH5119.6°120.0°
CAFCAGH6120.3°119.9°
CGSDCE86.8°103.0°
SDCGCB111.6°109.5°
SDCGH18109.0°109.4°
SDCGH19109.0°109.5°
SDCEH20109.5°109.5°
SDCEH21109.5°109.5°
SDCEH22109.4°109.5°
CBECBCCAI121.5°120.1°
CBCCBECAQ111.5°109.9°
CBCCBENBF115.7°109.9°
CBCCBEH8110.8°109.9°
CBCCAICAG122.8°120.1°
CBCCAIH7118.6°120.0°
CAQCBENBF99.2°107.2°
CBECAQCAN105.1°103.0°
CAQCBEH8109.3°109.9°
CBECAQH9110.5°110.7°
CBECAQH10110.5°110.7°
CBENBFC126.8°125.6°
CBENBFCAS112.6°108.7°
NBFCBEH8109.8°110.0°
OADCAXN125.1°120.0°
OADCAXNAT131.9°120.0°
CAQCANCAS101.0°101.6°
CANCAQH9110.5°110.7°
CANCAQH10110.6°110.8°
CAQCANH11111.5°111.0°
CAQCANH12111.5°111.0°
CAICAGH6120.3°119.9°
CAGCAIH7118.6°120.0°
CGCBCA105.9°109.5°
CGCBH16110.3°109.4°
CGCBH17110.3°109.5°
CBCGH18109.0°109.5°
CBCGH19108.9°109.5°
NCAXNAT102.9°120.0°
CAXNCA128.0°120.0°
CAXNH23116.0°120.0°
CAXNATCAP132.1°120.0°
CAXNATH24114.0°119.9°
CBCAN105.3°109.5°
CBCAC106.4°109.5°
CBCAH15111.3°109.4°
CACBH16110.4°109.5°
CACBH17110.4°109.5°
NCAC108.6°109.5°
NCAH15113.3°109.5°
CANH23116.0°120.0°
CACNBF117.4°120.0°
CACO121.7°120.0°
CCAH15111.5°109.5°
NATCAPCBA111.0°109.5°
CAPNATH24113.9°120.0°
NATCAPH25109.1°109.5°
NATCAPH26109.1°109.4°
CAPCBACAM120.0°119.9°
CAPCBACAL121.8°119.9°
CBACAPH25109.1°109.5°
CBACAPH26109.1°109.5°
CNBFCAS120.0°125.7°
NBFCO120.9°120.0°
NBFCASCAN104.1°104.9°
NBFCASH13110.8°110.4°
NBFCASH14110.8°110.5°
CASCANH11111.5°111.0°
CASCANH12111.5°111.0°
CANCASH13110.8°110.4°
CANCASH14110.8°110.4°
CAMCBACAL118.1°120.2°
CBACAMCAK122.4°120.1°
CBACAMH32118.8°120.0°
CBACALCAJ119.8°120.1°
CBACALH27120.1°120.0°
CAMCAKCAZ119.0°119.9°
CAMCAKH31120.5°120.1°
CAKCAMH32118.8°120.0°
CALCAJCAZ122.6°119.9°
CAJCALH27120.1°119.9°
CALCAJH28118.7°120.1°
CAKCAZCAJ117.9°119.8°
CAKCAZNAC120.9°120.1°
CAZCAKH31120.5°120.0°
CAJCAZNAC121.2°120.1°
CAZCAJH28118.7°120.0°
CAZNACH29109.5°120.0°
CAZNACH30109.5°120.0°
H1CABH2109.4°109.4°
H1CABH3109.5°109.5°
H2CABH3109.5°109.4°
H9CAQH10109.5°110.8°
H11CANH12109.5°111.0°
H13CASH14109.5°110.3°
H16CBH17109.4°109.4°
H18CGH19109.5°109.5°
H20CEH21109.5°109.4°
H20CEH22109.5°109.5°
H21CEH22109.5°109.4°
H25CAPH26109.4°109.4°
H29NACH30109.4°119.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CABSAWCBBCAH1.0°0.3°
CABSAWCBBCBC175.3°180.0°
SAWCABH1H2120.0°120.0°
SAWCABH1H3120.0°120.1°
SAWCABH2H3120.0°120.0°
SAWCBBCAHCBC176.3°179.8°
SAWCBBCAHCAF178.1°180.0°
SAWCBBCBCCBE4.3°0.0°
SAWCBBCBCCAI178.0°179.6°
CBBSAWCABH1180.0°179.9°
CBBSAWCABH260.0°60.0°
CBBSAWCABH360.0°60.0°
SAWCBBCAHH41.9°0.0°
CBBCAHCAFH4180.0°180.0°
CBBCAHCAFCAG0.4°0.1°
CAHCBBCBCCBE179.3°179.8°
CAHCBBCBCCAI1.6°0.6°
CBBCAHCAFH5179.6°180.0°
CAFCAHCBBCBC1.9°0.2°
CAHCAFCAGH5180.0°180.0°
CAHCAFCAGCAI1.3°0.0°
CAHCAFCAGH6178.7°180.0°
CBBCBCCBECAI177.6°179.7°
CBBCBCCBECAQ82.4°86.5°
CBBCBCCBENBF165.3°155.7°
CBBCBCCAICAG0.1°0.6°
CBCCBBCAHH4178.2°179.7°
CBBCBCCAIH7179.9°179.7°
CBBCBCCBEH839.7°34.6°
CAFCAGCAICBC1.5°0.3°
CAFCAGCAIH6180.0°180.0°
CAGCAFCAHH4179.6°180.0°
CAFCAGCAIH7178.5°180.0°
SDCGCBH18120.3°119.9°
SDCGCBH19120.3°120.0°
SDCGCBCA138.8°180.0°
SDCGCBH1619.3°60.0°
SDCGCBH17101.8°60.0°
SDCGH18H19119.0°120.0°
CGSDCEH20180.0°60.0°
CGSDCEH2160.0°60.0°
CGSDCEH2260.0°180.0°
CESDCGCB64.9°180.0°
CESDCGH1855.4°60.0°
CESDCGH19174.8°60.0°
SDCEH20H21120.0°120.0°
SDCEH20H22120.0°120.1°
SDCEH21H22120.0°120.0°
CBCCBECAQNBF122.3°119.4°
CBCCBECAQH8122.8°121.0°
CBCCBENBFH8126.2°121.1°
CBCCBECAQCAN85.1°141.6°
CBECBCCAICAG177.6°179.7°
CBCCBENBFC87.6°61.6°
CBCCBENBFCAS101.4°118.4°
CBECBCCAIH72.4°0.0°
CBCCBECAQH9155.6°100.0°
CBCCBECAQH1034.2°23.2°
CAICBCCBECAQ95.3°93.2°
CAICBCCBENBF17.0°24.6°
CBCCAICAGH7180.0°179.7°
CBCCAICAGH6178.5°179.7°
CAICBCCBEH8142.7°145.8°
CAQCBENBFH8114.5°119.5°
CBECAQCANH9119.3°118.3°
CBECAQCANH10119.3°118.4°
CAQCBENBFC153.1°179.0°
CAQCBENBFCAS17.9°1.1°
CBECAQCANCAS42.7°35.5°
CBECAQH9H10122.0°123.2°
CBECAQCANH11161.3°82.5°
CBECAQCANH1275.9°153.6°
NBFCBECAQCAN37.3°22.2°
CBENBFCCA8.6°175.2°
CBENBFCCAS170.4°179.9°
CBENBFCASCAN7.6°24.1°
CBENBFCO173.6°4.8°
NBFCBECAQH982.0°140.6°
NBFCBECAQH10156.6°96.2°
CBENBFCASH13126.7°143.0°
CBENBFCASH14111.6°94.8°
OADCAXNNAT177.2°180.0°
OADCAXNCA2.6°0.0°
OADCAXNATCAP4.8°0.1°
OADCAXNH23177.4°180.0°
OADCAXNATH24175.2°180.0°
CAQCANCASNBF30.3°37.0°
CAQCANCASH11118.6°118.0°
CAQCANCASH12118.6°118.1°
CANCAQCBEH8152.1°97.3°
CANCAQH9H10122.1°123.3°
CAQCANH11H12123.9°123.9°
CAQCANCASH13149.5°155.9°
CAQCANCASH1488.8°82.0°
CAICAGCAFH5178.7°180.0°
CGCBCAH16119.4°119.9°
CGCBCAH17119.4°120.1°
CGCBCAN52.2°66.0°
CGCBCAC167.3°174.0°
CGCBCAH1571.0°54.1°
CGCBH16H17121.6°120.0°
CBCGH18H19119.0°120.0°
CAXNCACB160.7°85.0°
CAXNCAH23180.0°180.0°
CAXNCAC85.7°155.0°
NCAXNATCAP178.3°180.0°
CAXNCAH1538.8°35.0°
NCAXNATH241.7°0.0°
NATCAXNCA179.8°180.0°
CAXNATCAPH24180.0°179.9°
CAXNATCAPCBA118.6°180.0°
NATCAXNH230.3°0.0°
CAXNATCAPH25121.2°59.9°
CAXNATCAPH261.7°60.1°
CBCANC113.6°120.0°
CBCANH15121.9°120.0°
CBCACH15121.6°119.9°
CBCACNBF95.1°77.6°
CBCACO82.7°102.4°
CACBH16H17121.7°120.1°
CACBCGH18100.9°60.1°
CACBCGH1918.4°60.0°
CBCANH2319.3°95.0°
NCACH15125.6°120.1°
NCACNBF152.0°162.4°
NCACO30.2°17.6°
NCACBH16171.6°54.0°
NCACBH1767.3°174.0°
CACNBFO177.8°180.0°
CACNBFCAS179.1°4.9°
CCACBH1673.2°66.0°
CCACBH1747.9°54.0°
CCANH2394.3°24.9°
NATCAPCBAH25120.2°120.1°
NATCAPCBAH26120.2°119.9°
NATCAPCBACAM146.0°90.0°
NATCAPCBACAL37.9°89.7°
NATCAPH25H26119.3°120.0°
CAPCBACAMCAL176.2°179.7°
CAPCBACAMCAK180.0°179.8°
CAPCBACALCAJ177.2°180.0°
CBACAPNATH2461.4°0.1°
CBACAPH25H26119.3°120.0°
CAPCBACALH272.9°0.0°
CAPCBACAMH320.0°0.0°
CNBFCASCAN179.3°155.9°
CNBFCBEH838.6°59.5°
CNBFCASH1361.6°37.1°
CNBFCASH1460.1°85.2°
NBFCCAH1526.5°42.3°
NBFCASCANH13119.2°118.8°
NBFCASCANH14119.1°119.0°
CASNBFCO3.2°175.1°
CASNBFCBEH8132.4°120.6°
NBFCASCANH11148.9°81.0°
NBFCASCANH1288.3°155.1°
NBFCASH13H14122.5°122.3°
CASCANCAQH976.6°153.8°
CASCANCAQH10162.0°82.9°
CASCANH11H12123.9°123.9°
CANCASH13H14122.5°122.2°
OCCAH15155.8°137.7°
CBACAMCAKH32180.0°179.8°
CAMCBACALCAJ1.1°0.2°
CBACAMCAKCAZ3.1°0.5°
CAMCBACAPH2525.8°30.1°
CAMCBACAPH2693.7°150.0°
CAMCBACALH27179.0°179.7°
CBACAMCAKH31176.9°179.7°
CALCBACAMCAK3.9°0.5°
CBACALCAJH27180.0°179.9°
CBACALCAJCAZ2.6°0.0°
CALCBACAPH25158.2°150.2°
CALCBACAPH2682.3°30.2°
CBACALCAJH28177.5°180.0°
CALCBACAMH32176.1°179.7°
CAMCAKCAZH31180.0°179.8°
CAMCAKCAZCAJ0.6°0.3°
CAMCAKCAZNAC178.4°179.7°
CALCAJCAZCAK3.4°0.0°
CALCAJCAZH28180.0°180.0°
CALCAJCAZNAC178.8°180.0°
CAKCAZCAJNAC177.8°180.0°
CAKCAZCAJH28176.7°180.0°
CAKCAZNACH29180.0°180.0°
CAKCAZNACH3060.0°0.1°
CAZCAKCAMH32176.9°179.7°
CAZCAJCALH27177.4°180.0°
CAJCAZNACH292.3°0.1°
CAJCAZNACH30122.2°180.0°
CAJCAZCAKH31179.4°180.0°
NACCAZCAJH281.2°0.0°
CAZNACH29H30120.0°179.9°
NACCAZCAKH311.6°0.1°
H1CABH2H3120.0°119.9°
H4CAHCAFH50.4°0.0°
H5CAFCAGH61.3°0.0°
H6CAGCAIH71.6°0.0°
H8CBECAQH932.8°21.0°
H8CBECAQH1088.6°144.3°
H9CAQCANH1142.0°35.8°
H9CAQCANH12164.8°88.1°
H10CAQCANH1179.4°159.1°
H10CAQCANH1243.4°35.2°
H11CANCASH1391.9°37.8°
H11CANCASH1429.8°160.0°
H12CANCASH1330.8°86.1°
H12CANCASH14152.5°36.1°
H15CACBH1648.4°174.0°
H15CACBH17169.6°66.0°
H15CANH23141.2°145.0°
H16CBCGH18139.6°179.9°
H16CBCGH19101.0°60.0°
H17CBCGH1818.5°60.0°
H17CBCGH19137.9°179.9°
H20CEH21H22120.0°120.0°
H24NATCAPH2558.8°120.0°
H24NATCAPH26178.3°120.0°
H27CALCAJH282.6°0.1°
H31CAKCAMH323.1°0.0°

222624

PDB entries from 2024-07-17

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