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35Q

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CATNBLsing1.47Å1.48Å
CAXNBLsing1.47Å1.47Å
CAXCBCsing1.51Å1.39Å
CAHCBCdoub1.38Å1.38ÅAromatic
CAHCAGsing1.38Å1.38ÅAromatic
CBCCAMsing1.38Å1.40ÅAromatic
CAGCAIdoub1.38Å1.40ÅAromatic
CAMCBDdoub1.39Å1.42ÅAromatic
CAICBDsing1.39Å1.39ÅAromatic
CBDCBEsing1.48Å1.42Å
CBECANdoub1.39Å1.40ÅAromatic
CBECAJsing1.39Å1.39ÅAromatic
CANCBFsing1.38Å1.40ÅAromatic
CAJCAKdoub1.38Å1.39ÅAromatic
OABCBBdoub1.22Å1.24Å
FAECBNsing1.40Å1.40Å
CBFNAYsing1.40Å1.37Å
CBFCBHdoub1.40Å1.41ÅAromatic
CBBCBGsing1.47Å1.42Å
CBBNAYsing1.35Å1.34Å
CAKCBHsing1.39Å1.42ÅAromatic
CALCBGdoub1.38Å1.40Å
CALNAZsing1.35Å1.33Å
CBGCBIsing1.42Å1.42Å
NAZCBJsing1.35Å1.40Å
CBHNBMsing1.40Å1.36Å
CBICBNsing1.51Å1.40Å
CBICAOdoub1.36Å1.40Å
CBNFADsing1.40Å1.36Å
CBNFAFsing1.40Å1.25Å
CBJCAOsing1.41Å1.39Å
CBJOACdoub1.22Å1.24Å
NBMCAWsing1.47Å1.48Å
NBMCAVsing1.47Å1.46Å
CAWCASsing1.53Å1.53Å
CAVCARsing1.53Å1.51Å
CASNBKsing1.47Å1.45Å
CARNBKsing1.47Å1.46Å
NBKCAAsing1.47Å1.48Å
CAOH1sing1.08Å1.08Å
CALH2sing1.08Å1.08Å
NAYH4sing0.97Å1.00Å
CANH5sing1.08Å1.08Å
CAVH6sing1.09Å1.10Å
CAVH7sing1.09Å1.10Å
CARH8sing1.09Å1.10Å
CARH9sing1.09Å1.10Å
CAAH11sing1.09Å1.10Å
CAAH12sing1.09Å1.10Å
CAAH13sing1.09Å1.10Å
CASH14sing1.09Å1.10Å
CASH15sing1.09Å1.10Å
CAWH16sing1.09Å1.10Å
CAWH17sing1.09Å1.10Å
CAKH18sing1.08Å1.08Å
CAJH19sing1.08Å1.08Å
CAMH20sing1.08Å1.08Å
CAIH21sing1.08Å1.08Å
CAGH22sing1.08Å1.08Å
CAHH23sing1.08Å1.08Å
CAXH24sing1.09Å1.10Å
CAXH25sing1.09Å1.10Å
NBLC4sing1.47Å30.70Å
CATH28sing1.09Å1.10Å
CATH29sing1.09Å1.10Å
CATC1sing1.53Å30.63Å
C1O1sing1.43Å0.00Å
O1C3sing1.43Å0.00Å
C3C4sing1.53Å0.00Å
C1H10sing1.09Å0.00Å
C1H26sing1.09Å0.00Å
C3H27sing1.09Å0.00Å
C3H30sing1.09Å0.00Å
C4H31sing1.09Å0.00Å
C4H32sing1.09Å0.00Å
NAZH33sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CATNBLCAX111.2°111.0°
CATNBLC486.1°110.7°
NBLCATH28113.8°109.5°
NBLCATH29113.8°109.5°
NBLCATC191.2°109.3°
NBLCAXCBC110.2°109.4°
NBLCAXH24109.2°109.4°
NBLCAXH25109.3°109.5°
CAXNBLC447.2°110.9°
CAXCBCCAH119.0°119.9°
CAXCBCCAM122.2°119.9°
CBCCAXH24109.3°109.5°
CBCCAXH25109.3°109.5°
CBCCAHCAG120.5°120.3°
CAHCBCCAM118.7°120.1°
CBCCAHH23119.7°119.9°
CAHCAGCAI121.3°120.1°
CAHCAGH22119.4°120.0°
CAGCAHH23119.8°119.8°
CBCCAMCBD121.3°119.9°
CBCCAMH20119.4°120.0°
CAGCAICBD119.5°119.9°
CAGCAIH21120.2°120.1°
CAICAGH22119.4°119.9°
CAMCBDCAI118.7°119.7°
CAMCBDCBE118.3°120.1°
CBDCAMH20119.4°120.1°
CAICBDCBE123.0°120.2°
CBDCAIH21120.2°120.0°
CBDCBECAN120.1°120.0°
CBDCBECAJ122.2°120.1°
CANCBECAJ117.7°119.9°
CBECANCBF122.2°119.9°
CBECANH5118.9°120.0°
CBECAJCAK121.7°120.1°
CBECAJH19119.2°119.9°
CANCBFNAY118.6°120.1°
CANCBFCBH119.7°120.0°
CBFCANH5118.9°120.1°
CAJCAKCBH120.5°120.1°
CAJCAKH18119.7°119.9°
CAKCAJH19119.2°120.0°
OABCBBCBG121.4°120.0°
OABCBBNAY122.2°120.0°
FAECBNCBI109.4°109.5°
FAECBNFAD105.7°109.5°
FAECBNFAF111.5°109.5°
NAYCBFCBH121.3°120.0°
CBFNAYCBB122.9°120.0°
CBFNAYH4118.6°120.1°
CBFCBHCAK118.2°120.0°
CBFCBHNBM123.5°120.0°
CBGCBBNAY116.4°120.0°
CBBCBGCAL116.6°120.3°
CBBCBGCBI126.1°120.3°
CBBNAYH4118.6°120.0°
CAKCBHNBM118.3°120.0°
CBHCAKH18119.8°119.9°
CBGCALNAZ123.9°120.5°
CALCBGCBI117.2°119.5°
CBGCALH2118.0°119.8°
CALNAZCBJ120.2°121.0°
NAZCALH2118.0°119.8°
CALNAZH33119.9°119.5°
CBGCBICBN122.7°120.5°
CBGCBICAO118.4°119.0°
NAZCBJCAO118.2°120.5°
NAZCBJOAC119.7°119.7°
CBJNAZH33119.9°119.5°
CBHNBMCAW117.6°111.0°
CBHNBMCAV121.7°111.0°
CBNCBICAO118.8°120.5°
CBICBNFAD112.8°109.5°
CBICBNFAF109.9°109.4°
CBICAOCBJ122.0°119.5°
CBICAOH1119.0°120.2°
FADCBNFAF107.5°109.5°
CAOCBJOAC122.1°119.8°
CBJCAOH1119.0°120.3°
CAWNBMCAV113.8°110.9°
NBMCAWCAS117.7°109.4°
NBMCAWH16107.4°109.5°
NBMCAWH17107.4°109.4°
NBMCAVCAR112.2°109.4°
NBMCAVH6108.7°109.5°
NBMCAVH7108.8°109.5°
CAWCASNBK109.6°109.4°
CAWCASH14109.4°109.5°
CAWCASH15109.5°109.5°
CASCAWH16107.4°109.5°
CASCAWH17107.4°109.5°
CAVCARNBK115.7°109.4°
CARCAVH6108.8°109.5°
CARCAVH7108.8°109.5°
CAVCARH8107.9°109.5°
CAVCARH9107.9°109.5°
CASNBKCAR109.7°110.9°
CASNBKCAA108.1°111.0°
NBKCASH14109.4°109.5°
NBKCASH15109.4°109.5°
CARNBKCAA110.9°111.0°
NBKCARH8107.9°109.5°
NBKCARH9107.9°109.5°
NBKCAAH11109.5°109.4°
NBKCAAH12109.5°109.5°
NBKCAAH13109.5°109.5°
H6CAVH7109.5°109.5°
H8CARH9109.4°109.5°
H11CAAH12109.5°109.5°
H11CAAH13109.5°109.5°
H12CAAH13109.4°109.5°
H14CASH15109.5°109.5°
H16CAWH17109.4°109.5°
H24CAXH25109.5°109.5°
NBLC4C390.0°109.2°
NBLC4H3190.0°109.6°
NBLC4H3290.0°109.5°
H28CATH29109.5°109.5°
H28CATC1113.8°109.5°
H29CATC1113.8°109.5°
CATC1O190.0°109.2°
CATC1H1090.0°109.5°
CATC1H2690.0°109.5°
C1O1C390.0°113.8°
O1C1H1090.0°109.5°
O1C1H2690.0°109.6°
O1C3C490.0°109.3°
O1C3H2790.0°109.5°
O1C3H3090.0°109.5°
C4C3H2790.0°109.5°
C4C3H3090.0°109.5°
C3C4H3190.0°109.5°
C3C4H3290.0°109.5°
H10C1H2690.0°109.6°
H27C3H3090.0°109.5°
H31C4H3290.0°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CATNBLCAXC462.7°123.6°
CATNBLCAXCBC179.4°66.4°
CATNBLCAXH2460.5°53.6°
CATNBLCAXH2559.3°173.6°
NBLCATH28H29128.7°120.1°
NBLCATH28C1102.7°119.8°
NBLCATH29C1102.7°119.8°
NBLCATC1O190.0°56.8°
CATNBLC4C390.0°58.7°
NBLCATC1H1090.0°63.1°
NBLCATC1H2690.0°176.8°
CATNBLC4H3190.0°61.3°
CATNBLC4H3290.0°178.6°
NBLCAXCBCH24120.1°120.0°
NBLCAXCBCH25120.1°120.0°
NBLCAXCBCCAH106.7°90.0°
NBLCAXCBCCAM76.2°89.8°
NBLCAXH24H25119.6°120.0°
CAXNBLCATH28157.6°57.7°
CAXNBLCATH2975.9°62.4°
CAXNBLCATC140.9°177.6°
CAXNBLC4C390.0°177.6°
CAXNBLC4H3190.0°62.5°
CAXNBLC4H3290.0°57.7°
CAXCBCCAHCAM177.2°179.8°
CAXCBCCAHCAG178.4°180.0°
CAXCBCCAMCBD179.5°179.8°
CAXCBCCAMH200.5°0.2°
CAXCBCCAHH231.6°0.1°
CBCCAXH24H25119.7°120.0°
CBCCAXNBLC4117.9°170.0°
CBCCAHCAGH23180.0°179.9°
CBCCAHCAGCAI0.7°0.2°
CAHCBCCAMCBD2.4°0.0°
CAHCBCCAMH20177.6°180.0°
CBCCAHCAGH22179.2°179.8°
CAHCBCCAXH24133.2°150.0°
CAHCBCCAXH2513.4°30.0°
CAGCAHCBCCAM1.3°0.2°
CAHCAGCAIH22180.0°180.0°
CAHCAGCAICBD1.3°0.0°
CAHCAGCAIH21178.7°180.0°
CBCCAMCBDH20180.0°180.0°
CBCCAMCBDCAI3.0°0.3°
CBCCAMCBDCBE179.8°180.0°
CAMCBCCAHH23178.8°180.0°
CAMCBCCAXH2443.9°30.2°
CAMCBCCAXH25163.7°150.2°
CAGCAICBDCAM2.4°0.3°
CAGCAICBDH21180.0°180.0°
CAGCAICBDCBE179.1°180.0°
CAICAGCAHH23179.3°180.0°
CAMCBDCAICBE176.7°179.7°
CAMCBDCBECAN31.5°180.0°
CAMCBDCBECAJ146.9°0.1°
CAMCBDCAIH21177.6°179.7°
CAICBDCBECAN151.9°0.3°
CAICBDCBECAJ29.7°179.8°
CAICBDCAMH20177.0°179.8°
CBDCAICAGH22178.6°180.0°
CBDCBECANCAJ178.5°179.9°
CBDCBECANCBF176.5°180.0°
CBDCBECAJCAK178.2°179.7°
CBDCBECANH53.5°0.0°
CBDCBECAJH191.8°0.1°
CBECBDCAMH200.2°0.0°
CBECBDCAIH210.9°0.0°
CBECANCBFH5180.0°180.0°
CANCBECAJCAK0.2°0.2°
CBECANCBFNAY175.8°180.0°
CBECANCBFCBH2.5°0.2°
CANCBECAJH19179.8°180.0°
CAJCBECANCBF2.0°0.0°
CBECAJCAKH19180.0°179.8°
CBECAJCAKCBH1.0°0.2°
CAJCBECANH5178.0°180.0°
CBECAJCAKH18179.0°179.8°
CANCBFNAYCBH173.2°179.8°
CANCBFNAYCBB63.2°21.9°
CANCBFCBHCAK1.2°0.2°
CANCBFCBHNBM178.2°179.8°
CANCBFNAYH4116.8°158.1°
CAJCAKCBHCBF0.5°0.0°
CAJCAKCBHH18180.0°180.0°
CAJCAKCBHNBM176.7°180.0°
OABCBBNAYCBF9.8°2.2°
OABCBBCBGNAY177.9°180.0°
OABCBBCBGCAL127.0°170.3°
OABCBBCBGCBI49.0°9.2°
OABCBBNAYH4170.2°177.8°
FAECBNCBICBG70.9°60.1°
FAECBNCBIFAD117.3°120.0°
FAECBNCBIFAF122.7°120.0°
FAECBNCBICAO112.2°119.6°
FAECBNFADFAF119.1°120.0°
CBFNAYCBBCBG168.0°177.8°
CBFNAYCBBH4180.0°180.0°
NAYCBFCBHCAK174.3°180.0°
NAYCBFCBHNBM8.7°0.1°
NAYCBFCANH54.2°0.1°
CBHCBFNAYCBB123.6°157.9°
CBFCBHCAKNBM177.1°180.0°
CBFCBHNBMCAW56.0°120.0°
CBFCBHNBMCAV154.8°116.2°
CBHCBFNAYH456.4°22.1°
CBHCBFCANH5177.5°179.7°
CBFCBHCAKH18179.5°180.0°
CBBCBGCALCBI176.4°179.5°
CBBCBGCALNAZ177.3°180.0°
CBBCBGCBICBN4.4°0.3°
CBBCBGCBICAO178.6°180.0°
CBBCBGCALH22.6°0.5°
CBGCBBNAYH412.0°2.1°
NAYCBBCBGCAL50.8°9.8°
NAYCBBCBGCBI133.1°170.8°
CAKCBHNBMCAW120.9°60.0°
CAKCBHNBMCAV28.2°63.8°
CBHCAKCAJH19179.0°180.0°
CBGCALNAZH2180.0°179.6°
CBGCALNAZCBJ0.8°0.3°
CALCBGCBICBN179.6°179.8°
CALCBGCBICAO2.6°0.5°
CBGCALNAZH33179.2°179.7°
NAZCALCBGCBI0.9°0.5°
CALNAZCBJH33180.0°179.9°
CALNAZCBJCAO0.8°0.0°
CALNAZCBJOAC179.2°180.0°
CBGCBICBNCAO177.0°179.7°
CBGCBICBNFAD171.8°179.9°
CBGCBICBNFAF51.9°60.0°
CBGCBICAOCBJ2.7°0.3°
CBGCBICAOH1177.3°179.7°
CBICBGCALH2179.1°179.9°
NAZCBJCAOCBI1.0°0.0°
NAZCBJCAOOAC180.0°180.0°
NAZCBJCAOH1179.0°180.0°
CBJNAZCALH2179.2°179.8°
CBHNBMCAWCAV151.5°123.9°
CBHNBMCAWCAS168.1°176.8°
CBHNBMCAVCAR171.1°176.8°
CBHNBMCAVH668.5°63.2°
CBHNBMCAVH750.6°56.8°
CBHNBMCAWH1646.9°56.8°
CBHNBMCAWH1770.7°63.2°
NBMCBHCAKH183.3°0.0°
CBICBNFADFAF121.3°119.9°
CBNCBICAOCBJ179.8°179.9°
CBNCBICAOH10.2°0.1°
CAOCBICBNFAD5.1°0.4°
CAOCBICBNFAF125.1°120.4°
CBICAOCBJH1180.0°180.0°
CBICAOCBJOAC179.1°180.0°
CAOCBJNAZH33179.2°179.9°
OACCBJCAOH10.9°0.0°
OACCBJNAZH330.9°0.0°
NBMCAWCASH16121.2°120.0°
NBMCAWCASH17121.2°119.9°
CAWNBMCAVCAR38.7°59.3°
NBMCAWCASNBK48.6°58.4°
CAWNBMCAVH681.7°60.7°
CAWNBMCAVH7159.2°179.3°
NBMCAWCASH1471.4°178.4°
NBMCAWCASH15168.7°61.6°
NBMCAWH16H17116.3°120.0°
CAVNBMCAWCAS40.4°59.3°
NBMCAVCARH6120.4°120.0°
NBMCAVCARH7120.4°119.9°
NBMCAVCARNBK50.3°58.4°
NBMCAVH6H7118.7°120.1°
NBMCAVCARH8171.2°178.4°
NBMCAVCARH970.6°61.6°
CAVNBMCAWH16161.6°179.3°
CAVNBMCAWH1780.8°60.7°
CAWCASNBKH14120.0°120.0°
CAWCASNBKH15120.0°120.0°
CAWCASNBKCAR55.2°59.3°
CAWCASNBKCAA176.3°176.8°
CAWCASH14H15120.0°120.1°
CASCAWH16H17116.2°120.1°
CAVCARNBKCAS59.6°59.3°
CAVCARNBKH8120.9°120.0°
CAVCARNBKH9120.9°120.0°
CAVCARNBKCAA179.0°176.8°
CARCAVH6H7118.8°120.1°
CAVCARH8H9117.2°120.1°
CASNBKCARCAA119.4°123.9°
CASNBKCARH8179.5°179.3°
CASNBKCARH961.3°60.7°
CASNBKCAAH11180.0°63.8°
CASNBKCAAH1260.0°56.2°
CASNBKCAAH1360.0°176.2°
NBKCASH14H15119.9°120.0°
NBKCASCAWH16169.8°178.4°
NBKCASCAWH1772.6°61.6°
NBKCARCAVH670.1°61.6°
NBKCARCAVH7170.7°178.3°
NBKCARH8H9117.2°120.0°
CARNBKCAAH1159.7°60.0°
CARNBKCAAH1260.3°180.0°
CARNBKCAAH13179.7°60.0°
CARNBKCASH1464.8°179.3°
CARNBKCASH15175.3°60.7°
CAANBKCARH860.1°56.8°
CAANBKCARH958.0°63.2°
NBKCAAH11H12120.0°120.0°
NBKCAAH11H13120.0°120.0°
NBKCAAH12H13120.0°120.1°
CAANBKCASH1456.3°56.8°
CAANBKCASH1563.6°63.2°
H2CALNAZH330.8°0.1°
H6CAVCARH850.8°58.4°
H6CAVCARH9169.0°178.4°
H7CAVCARH868.3°61.7°
H7CAVCARH949.8°58.3°
H11CAAH12H13120.0°120.0°
H14CASCAWH1649.8°61.7°
H14CASCAWH17167.4°58.4°
H15CASCAWH1670.1°58.4°
H15CASCAWH1747.5°178.5°
H18CAKCAJH191.0°0.0°
H21CAICAGH221.4°0.0°
H22CAGCAHH230.7°0.0°
H24CAXNBLC42.2°70.0°
H25CAXNBLC4122.0°50.0°
C4NBLCATH28116.8°178.6°
C4NBLCATH29116.8°61.3°
C4NBLCATC10.0°58.7°
NBLC4C3O190.0°56.9°
NBLC4C3H3190.0°120.0°
NBLC4C3H3290.0°119.9°
NBLC4C3H2790.0°63.1°
NBLC4C3H3090.0°176.8°
NBLC4H31H3290.0°120.1°
H28CATH29C1128.7°120.1°
H28CATC1O190.0°176.8°
H28CATC1H1090.0°56.9°
H28CATC1H2690.0°63.3°
H29CATC1O190.0°63.1°
H29CATC1H1090.0°176.9°
H29CATC1H2690.0°56.8°
CATC1O1H1090.0°119.9°
CATC1O1H2690.0°119.9°
CATC1O1C390.0°58.6°
CATC1H10H2690.0°120.1°
C1O1C3C490.0°58.7°
O1C1H10H2690.0°120.2°
C1O1C3H2790.0°61.2°
C1O1C3H3090.0°178.6°
O1C3C4H2790.0°119.9°
O1C3C4H3090.0°120.0°
C3O1C1H1090.0°61.2°
C3O1C1H2690.0°178.6°
O1C3H27H3090.0°120.1°
O1C3C4H3190.0°63.1°
O1C3C4H3290.0°176.8°
C4C3H27H3090.0°120.1°
C3C4H31H3290.0°120.1°
H27C3C4H3190.0°177.0°
H27C3C4H3290.0°56.8°
H30C3C4H3190.0°56.9°
H30C3C4H3290.0°63.3°

222415

PDB entries from 2024-07-10

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