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PKS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAYCAXsing1.51Å1.55Å
CAXCAWdoub1.31Å1.35Å
CAWCAZsing1.51Å1.54Å
CAWCAVsing1.51Å1.57Å
OBACAVsing1.43Å1.42Å
CAVCAUsing1.53Å1.54Å
CBBCAUsing1.53Å1.54Å
CAUCASsing1.51Å1.50Å
CASCARdoub1.33Å1.36Å
CAOCAMsing1.51Å1.55Å
CARCAQsing1.47Å1.53Å
CARCATsing1.51Å1.55Å
CAKCALsing1.51Å1.54Å
CAKCAEsing1.51Å1.58Å
CAQCAPdoub1.33Å1.33Å
CAMCALdoub1.31Å1.39Å
CAMCANsing1.51Å1.53Å
CAENADdoub1.32Å1.37ÅAromatic
CAECAFsing1.38Å1.42ÅAromatic
CAPCANsing1.51Å1.52Å
CAJCAFsing1.51Å1.52Å
NADCACsing1.32Å1.37ÅAromatic
CAFCAAdoub1.39Å1.37ÅAromatic
CACOAHsing1.36Å1.41Å
CACCABdoub1.39Å1.41ÅAromatic
CAACABsing1.39Å1.38ÅAromatic
CAAOAGsing1.36Å1.39Å
OAHCAIsing1.43Å1.42Å
CBBH1sing1.09Å1.10Å
CBBH2sing1.09Å1.10Å
CBBH3sing1.09Å1.10Å
CABH4sing1.08Å1.08Å
OBAH5sing0.97Å0.95Å
CAVH6sing1.09Å1.10Å
CAXH7sing1.08Å1.08Å
CAYH8sing1.09Å1.10Å
CAYH9sing1.09Å1.10Å
CAYH10sing1.09Å1.10Å
CAZH11sing1.09Å1.10Å
CAZH12sing1.09Å1.10Å
CAZH13sing1.09Å1.10Å
CAUH14sing1.09Å1.10Å
CASH15sing1.08Å1.08Å
CATH16sing1.09Å1.10Å
CATH17sing1.09Å1.10Å
CATH18sing1.09Å1.10Å
CAQH19sing1.08Å1.08Å
CAPH21sing1.08Å1.08Å
CANH23sing1.09Å1.10Å
CANH24sing1.09Å1.10Å
CAOH25sing1.09Å1.10Å
CAOH26sing1.09Å1.10Å
CAOH27sing1.09Å1.10Å
CALH28sing1.08Å1.08Å
CAKH29sing1.09Å1.10Å
CAKH30sing1.09Å1.10Å
CAJH31sing1.09Å1.10Å
CAJH32sing1.09Å1.10Å
CAJH33sing1.09Å1.10Å
CAIH34sing1.09Å1.10Å
CAIH35sing1.09Å1.10Å
CAIH36sing1.09Å1.10Å
OAGH37sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAYCAXCAW121.8°120.0°
CAYCAXH7119.1°120.0°
CAXCAYH8109.5°109.5°
CAXCAYH9109.5°109.5°
CAXCAYH10109.4°109.5°
CAXCAWCAZ118.1°120.0°
CAXCAWCAV122.3°120.0°
CAWCAXH7119.1°120.0°
CAZCAWCAV119.6°120.0°
CAWCAZH11109.5°109.5°
CAWCAZH12109.5°109.5°
CAWCAZH13109.4°109.5°
CAWCAVOBA114.1°109.5°
CAWCAVCAU116.4°109.5°
CAWCAVH6106.4°109.4°
OBACAVCAU104.7°109.5°
CAVOBAH5109.5°113.9°
OBACAVH6108.2°109.4°
CAVCAUCBB114.0°109.5°
CAVCAUCAS109.7°109.5°
CAUCAVH6106.7°109.5°
CAVCAUH14108.6°109.5°
CBBCAUCAS106.6°109.5°
CAUCBBH1109.5°109.4°
CAUCBBH2109.5°109.5°
CAUCBBH3109.5°109.5°
CBBCAUH14108.6°109.5°
CAUCASCAR120.7°120.0°
CASCAUH14109.2°109.4°
CAUCASH15119.6°120.0°
CASCARCAQ113.5°120.0°
CASCARCAT124.5°120.0°
CARCASH15119.6°120.0°
CAOCAMCAL124.2°120.0°
CAOCAMCAN122.7°120.0°
CAMCAOH25109.5°109.5°
CAMCAOH26109.5°109.5°
CAMCAOH27109.5°109.5°
CAQCARCAT121.8°120.0°
CARCAQCAP121.7°120.0°
CARCAQH19119.2°120.0°
CARCATH16109.5°109.5°
CARCATH17109.4°109.4°
CARCATH18109.5°109.5°
CALCAKCAE105.3°109.5°
CAKCALCAM124.7°120.0°
CAKCALH28117.7°120.0°
CALCAKH29110.5°109.5°
CALCAKH30110.5°109.5°
CAKCAENAD115.0°119.6°
CAKCAECAF125.7°119.5°
CAECAKH29110.5°109.5°
CAECAKH30110.5°109.4°
CAQCAPCAN110.4°120.0°
CAPCAQH19119.1°120.0°
CAQCAPH21124.8°120.0°
CALCAMCAN113.0°120.0°
CAMCALH28117.6°120.0°
CAMCANCAP110.6°109.5°
CAMCANH23109.2°109.5°
CAMCANH24109.2°109.5°
NADCAECAF119.3°120.9°
CAENADCAC121.0°121.8°
CAECAFCAJ125.6°120.4°
CAECAFCAA118.7°119.2°
CANCAPH21124.8°120.0°
CAPCANH23109.2°109.4°
CAPCANH24109.2°109.4°
CAJCAFCAA115.7°120.4°
CAFCAJH31109.5°109.5°
CAFCAJH32109.5°109.4°
CAFCAJH33109.5°109.5°
NADCACOAH115.8°119.7°
NADCACCAB121.0°120.7°
CAFCAACAB122.9°118.4°
CAFCAAOAG116.6°120.8°
OAHCACCAB123.2°119.7°
CACOAHCAI115.2°117.0°
CACCABCAA117.1°119.1°
CACCABH4121.5°120.5°
CABCAAOAG120.5°120.8°
CAACABH4121.4°120.4°
CAAOAGH37109.5°114.0°
OAHCAIH34109.5°109.5°
OAHCAIH35109.5°109.5°
OAHCAIH36109.5°109.5°
H1CBBH2109.5°109.5°
H1CBBH3109.5°109.4°
H2CBBH3109.4°109.5°
H8CAYH9109.5°109.5°
H8CAYH10109.5°109.5°
H9CAYH10109.5°109.4°
H11CAZH12109.4°109.5°
H11CAZH13109.5°109.5°
H12CAZH13109.5°109.4°
H16CATH17109.5°109.5°
H16CATH18109.4°109.5°
H17CATH18109.5°109.5°
H23CANH24109.5°109.5°
H25CAOH26109.5°109.5°
H25CAOH27109.5°109.4°
H26CAOH27109.5°109.5°
H29CAKH30109.4°109.5°
H31CAJH32109.5°109.5°
H31CAJH33109.4°109.5°
H32CAJH33109.4°109.5°
H34CAIH35109.5°109.4°
H34CAIH36109.5°109.4°
H35CAIH36109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAYCAXCAWH7180.0°180.0°
CAYCAXCAWCAZ0.2°0.0°
CAYCAXCAWCAV179.5°180.0°
CAXCAYH8H9120.0°120.0°
CAXCAYH8H10120.0°120.0°
CAXCAYH9H10120.0°120.0°
CAXCAWCAZCAV179.7°180.0°
CAXCAWCAVOBA28.3°124.9°
CAXCAWCAVCAU93.8°115.0°
CAXCAWCAVH6147.5°5.0°
CAWCAXCAYH8180.0°180.0°
CAWCAXCAYH960.0°60.0°
CAWCAXCAYH1060.0°60.0°
CAXCAWCAZH11180.0°90.0°
CAXCAWCAZH1260.0°30.0°
CAXCAWCAZH1360.0°150.0°
CAZCAWCAVOBA151.4°55.0°
CAZCAWCAVCAU86.5°65.0°
CAZCAWCAVH632.2°175.0°
CAZCAWCAXH7179.8°180.0°
CAWCAZH11H12120.0°120.0°
CAWCAZH11H13120.0°120.0°
CAWCAZH12H13120.0°120.0°
CAWCAVOBACAU128.3°120.1°
CAWCAVOBAH6118.2°120.0°
CAWCAVCAUH6118.5°120.0°
CAWCAVCAUCBB63.9°60.0°
CAWCAVCAUCAS55.5°180.0°
CAWCAVOBAH5180.0°60.0°
CAVCAWCAXH70.5°0.0°
CAVCAWCAZH110.3°90.0°
CAVCAWCAZH12119.7°150.0°
CAVCAWCAZH13120.3°30.0°
CAWCAVCAUH14174.8°60.0°
OBACAVCAUH6114.6°120.0°
OBACAVCAUCBB63.0°180.0°
OBACAVCAUCAS177.6°59.9°
OBACAVCAUH1458.3°60.0°
CAVCAUCBBCAS121.1°120.0°
CAVCAUCBBH14121.3°120.0°
CAVCAUCASH14118.9°120.0°
CAVCAUCASCAR96.9°121.4°
CAVCAUCBBH1180.0°179.9°
CAVCAUCBBH260.0°60.0°
CAVCAUCBBH360.0°60.0°
CAUCAVOBAH551.7°60.0°
CAVCAUCASH1583.1°58.6°
CBBCAUCASH14117.2°120.0°
CBBCAUCASCAR139.2°118.6°
CAUCBBH1H2120.0°120.0°
CAUCBBH1H3120.0°119.9°
CAUCBBH2H3120.0°120.0°
CBBCAUCAVH6177.6°60.0°
CBBCAUCASH1540.8°61.4°
CAUCASCARH15180.0°180.0°
CAUCASCARCAQ178.8°173.3°
CAUCASCARCAT2.1°6.7°
CASCAUCBBH158.9°60.0°
CASCAUCBBH261.1°60.0°
CASCAUCBBH3178.9°180.0°
CASCAUCAVH663.0°60.0°
CASCARCAQCAT176.8°180.0°
CASCARCAQCAP148.7°179.9°
CARCASCAUH1422.0°1.4°
CASCARCATH16180.0°85.0°
CASCARCATH1760.0°155.0°
CASCARCATH1860.0°35.0°
CASCARCAQH1931.3°0.0°
CAOCAMCALCAK0.9°6.5°
CAOCAMCALCAN179.8°179.9°
CAOCAMCANCAP6.2°85.0°
CAOCAMCANH23114.0°155.1°
CAOCAMCANH24126.4°35.0°
CAMCAOH25H26120.0°120.0°
CAMCAOH25H27120.0°120.0°
CAMCAOH26H27120.0°120.1°
CAOCAMCALH28179.2°173.6°
CARCAQCAPH19180.0°179.9°
CARCAQCAPCAN179.8°180.0°
CAQCARCASH151.3°6.7°
CAQCARCATH163.6°95.0°
CAQCARCATH17116.5°25.0°
CAQCARCATH18123.5°145.0°
CARCAQCAPH210.2°0.0°
CATCARCAQCAP34.5°0.0°
CATCARCASH15178.0°173.3°
CARCATH16H17120.0°120.0°
CARCATH16H18120.0°120.0°
CARCATH17H18120.0°120.0°
CATCARCAQH19145.5°180.0°
CALCAKCAEH29119.4°120.0°
CALCAKCAEH30119.3°120.0°
CAKCALCAMH28180.0°179.9°
CAKCALCAMCAN178.9°173.6°
CALCAKCAENAD98.8°92.7°
CALCAKCAECAF82.3°88.2°
CALCAKH29H30121.9°120.0°
CAECAKCALCAM133.8°126.9°
CAKCAENADCAF179.0°179.1°
CAKCAECAFCAJ0.4°0.9°
CAKCAENADCAC179.7°180.0°
CAKCAECAFCAA179.6°179.7°
CAECAKCALH2846.2°53.1°
CAECAKH29H30121.9°120.0°
CAQCAPCANCAM86.3°125.0°
CAQCAPCANH21180.0°179.9°
CAQCAPCANH23153.5°115.0°
CAQCAPCANH2433.9°4.9°
CALCAMCANCAP174.1°95.0°
CALCAMCANH2365.8°25.0°
CALCAMCANH2453.9°145.1°
CALCAMCAOH25180.0°85.5°
CALCAMCAOH2660.0°154.5°
CALCAMCAOH2760.0°34.5°
CAMCALCAKH2914.5°113.1°
CAMCALCAKH30106.8°6.9°
CAMCANCAPH23120.2°120.0°
CAMCANCAPH24120.2°120.0°
CAMCANCAPH2193.7°55.0°
CAMCANH23H24119.5°120.0°
CANCAMCAOH250.3°94.6°
CANCAMCAOH26120.3°25.4°
CANCAMCAOH27119.7°145.4°
CANCAMCALH281.1°6.4°
NADCAECAFCAJ179.3°180.0°
NADCAECAFCAA0.7°0.6°
CAENADCACOAH179.9°179.4°
CAENADCACCAB0.2°0.7°
NADCAECAKH29141.9°147.3°
NADCAECAKH3020.6°27.3°
CAECAFCAJCAA180.0°179.4°
CAFCAENADCAC0.7°0.9°
CAECAFCAACAB0.2°0.0°
CAECAFCAAOAG180.0°179.7°
CAFCAECAKH2937.1°31.8°
CAFCAECAKH30158.4°151.8°
CAECAFCAJH3190.0°87.1°
CAECAFCAJH32150.0°152.9°
CAECAFCAJH3330.0°32.9°
CANCAPCAQH190.2°0.1°
CAPCANH23H24119.5°120.0°
CAJCAFCAACAB179.8°179.5°
CAJCAFCAAOAG0.0°0.3°
CAFCAJH31H32120.0°119.9°
CAFCAJH31H33120.0°120.0°
CAFCAJH32H33120.0°120.0°
NADCACOAHCAB179.6°179.9°
NADCACCABCAA0.2°0.0°
NADCACOAHCAI163.5°0.0°
NADCACCABH4179.8°180.0°
CAFCAACABCAC0.2°0.3°
CAFCAACABOAG179.7°179.7°
CAFCAACABH4179.8°179.7°
CAACAFCAJH3190.0°92.3°
CAACAFCAJH3230.0°27.6°
CAACAFCAJH33150.0°147.6°
CAFCAAOAGH37180.0°90.2°
OAHCACCABCAA179.5°180.0°
OAHCACCABH40.5°0.0°
CACOAHCAIH34180.0°60.0°
CACOAHCAIH3560.0°60.0°
CACOAHCAIH3660.0°179.9°
CACCABCAAH4180.0°180.0°
CACCABCAAOAG179.5°180.0°
CABCACOAHCAI16.2°180.0°
CABCAAOAGH370.3°90.0°
OAGCAACABH40.5°0.0°
OAHCAIH34H35120.0°120.0°
OAHCAIH34H36120.0°120.0°
OAHCAIH35H36120.0°120.1°
H1CBBH2H3120.0°120.0°
H1CBBCAUH1458.7°59.9°
H2CBBCAUH14178.7°180.0°
H3CBBCAUH1461.3°60.0°
H5OBACAVH661.8°180.0°
H6CAVCAUH1456.3°180.0°
H7CAXCAYH80.0°0.0°
H7CAXCAYH9120.1°120.1°
H7CAXCAYH10120.0°120.0°
H8CAYH9H10120.0°120.0°
H11CAZH12H13120.0°120.0°
H14CAUCASH15158.0°178.6°
H16CATH17H18120.0°120.0°
H19CAQCAPH21179.8°180.0°
H21CAPCANH2326.5°65.0°
H21CAPCANH24146.1°175.0°
H25CAOH26H27120.0°119.9°
H28CALCAKH29165.5°67.0°
H28CALCAKH3073.2°173.0°
H31CAJH32H33120.0°120.1°
H34CAIH35H36120.0°119.9°

224931

PDB entries from 2024-09-11

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