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SummaryGeometryRelated PDB entries

S99

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
CAICAEsing1.38Å1.40ÅAromatic
CAICAVdoub1.38Å1.40ÅAromatic
CAECACdoub1.38Å1.39ÅAromatic
CACCAFsing1.38Å1.40ÅAromatic
CAFCAJdoub1.38Å1.41ÅAromatic
CAJCAVsing1.38Å1.40ÅAromatic
CAVCAQsing1.51Å1.55Å
CAQCAOsing1.53Å1.56Å
CAOCAMsing1.53Å1.53Å
CAMCANsing1.53Å1.52Å
CANCAPsing1.53Å1.56Å
CAPCARsing1.53Å1.57Å
CARCAZsing1.53Å1.55Å
CAZOAAsing1.43Å1.42Å
CAZOXTsing1.43Å1.42Å
CAZCAYsing1.51Å1.54Å
CAYNATdoub1.30Å1.34ÅAromatic
CAYOAUsing1.34Å1.37ÅAromatic
NATCAXsing1.36Å1.35ÅAromatic
OAUCALsing1.35Å1.39ÅAromatic
CALCAXdoub1.36Å1.33ÅAromatic
CAXCAWsing1.48Å1.40ÅAromatic
CAWCAKsing1.39Å1.39ÅAromatic
CAWNASdoub1.33Å1.37ÅAromatic
CAKCAGdoub1.38Å1.40ÅAromatic
CAGCADsing1.39Å1.40ÅAromatic
CADCAHdoub1.38Å1.40ÅAromatic
CAHNASsing1.32Å1.34ÅAromatic
CAIHAIsing1.08Å1.08Å
CAEHAEsing1.08Å1.08Å
CACHACsing1.08Å1.08Å
CAFHAFsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CAQHAQ1sing1.09Å1.10Å
CAQHAQ2sing1.09Å1.10Å
CAOHAO1sing1.09Å1.10Å
CAOHAO2sing1.09Å1.10Å
CAMHAM1sing1.09Å1.10Å
CAMHAM2sing1.09Å1.10Å
CANHAN1sing1.09Å1.10Å
CANHAN2sing1.09Å1.10Å
CAPHAP1sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
CARHAR1sing1.09Å1.10Å
CARHAR2sing1.09Å1.10Å
CALHALsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
CAGHAGsing1.08Å1.08Å
CADHADsing1.08Å1.08Å
CAHHAHsing1.08Å1.08Å
OXTHXTsing0.97Å0.95Å
OAAHAAsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
CAECAICAV119.0°120.0°
CAICAECAC120.8°120.0°
CAECAIHAI120.5°120.0°
CAICAEHAE119.6°120.0°
CAICAVCAJ120.3°120.0°
CAICAVCAQ121.1°120.0°
CAVCAIHAI120.5°120.0°
CAECACCAF120.9°120.0°
CACCAEHAE119.6°120.0°
CAECACHAC119.6°120.0°
CACCAFCAJ118.6°120.0°
CAFCACHAC119.6°120.0°
CACCAFHAF120.7°120.0°
CAFCAJCAV120.5°120.0°
CAJCAFHAF120.7°120.0°
CAFCAJHAJ119.7°120.0°
CAJCAVCAQ118.6°120.0°
CAVCAJHAJ119.7°120.0°
CAVCAQCAO114.3°109.5°
CAVCAQHAQ1107.9°109.5°
CAVCAQHAQ2106.8°109.5°
CAQCAOCAM108.0°109.4°
CAOCAQHAQ1107.9°109.4°
CAOCAQHAQ2106.8°109.5°
CAQCAOHAO1110.0°109.5°
CAQCAOHAO2110.3°109.5°
CAOCAMCAN112.5°109.4°
CAMCAOHAO1110.0°109.4°
CAMCAOHAO2110.3°109.5°
CAOCAMHAM1108.5°109.4°
CAOCAMHAM2107.8°109.5°
CAMCANCAP111.2°109.4°
CANCAMHAM1108.5°109.5°
CANCAMHAM2107.8°109.5°
CAMCANHAN1108.9°109.5°
CAMCANHAN2108.5°109.5°
CANCAPCAR110.1°109.4°
CAPCANHAN1108.9°109.4°
CAPCANHAN2108.5°109.5°
CANCAPHAP1109.2°109.4°
CANCAPHAP2109.1°109.5°
CAPCARCAZ111.4°109.4°
CARCAPHAP1109.3°109.5°
CARCAPHAP2109.1°109.5°
CAPCARHAR1108.8°109.4°
CAPCARHAR2108.4°109.5°
CARCAZOAA111.1°109.4°
CARCAZOXT107.3°109.5°
CARCAZCAY109.9°109.4°
CAZCARHAR1108.8°109.5°
CAZCARHAR2108.4°109.5°
OAACAZOXT110.1°109.5°
OAACAZCAY107.7°109.5°
CAZOAAHAA109.5°114.0°
OXTCAZCAY110.8°109.5°
CAZOXTHXT109.5°114.0°
CAZCAYNAT125.5°125.4°
CAZCAYOAU123.6°125.5°
NATCAYOAU110.9°109.1°
CAYNATCAX107.2°108.6°
CAYOAUCAL103.6°108.1°
NATCAXCAL108.9°107.2°
NATCAXCAW126.1°126.4°
OAUCALCAX109.4°107.0°
OAUCALHAL125.3°126.5°
CALCAXCAW125.0°126.3°
CAXCALHAL125.3°126.6°
CAXCAWCAK119.7°119.7°
CAXCAWNAS120.4°119.8°
CAKCAWNAS120.0°120.5°
CAWCAKCAG118.6°119.1°
CAWCAKHAK120.7°120.5°
CAWNASCAH122.8°121.6°
CAKCAGCAD120.1°118.5°
CAGCAKHAK120.7°120.5°
CAKCAGHAG119.9°120.7°
CAGCADCAH119.4°119.4°
CADCAGHAG119.9°120.8°
CAGCADHAD120.3°120.3°
CADCAHNAS119.1°120.8°
CAHCADHAD120.3°120.2°
CADCAHHAH120.4°119.6°
NASCAHHAH120.5°119.6°
HAQ1CAQHAQ2113.3°109.5°
HAO1CAOHAO2108.3°109.5°
HAM1CAMHAM2111.9°109.5°
HAN1CANHAN2110.9°109.5°
HAP1CAPHAP2110.0°109.5°
HAR1CARHAR2111.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
CAECAICAVHAI180.0°179.7°
CAICAECACHAE180.0°179.9°
CAICAECACCAF1.5°0.1°
CAECAICAVCAJ0.4°0.1°
CAECAICAVCAQ179.3°180.0°
CAICAECACHAC178.4°180.0°
CAVCAICAECAC1.1°0.1°
CAICAVCAJCAF0.1°0.1°
CAICAVCAJCAQ179.7°179.9°
CAICAVCAQCAO9.2°90.0°
CAVCAICAEHAE178.9°180.0°
CAICAVCAJHAJ179.9°179.9°
CAICAVCAQHAQ1129.2°150.1°
CAICAVCAQHAQ2108.7°30.1°
CAECACCAFHAC180.0°179.9°
CAECACCAFCAJ1.2°0.1°
CACCAECAIHAI178.9°179.7°
CAECACCAFHAF178.7°179.9°
CACCAFCAJHAF180.0°180.0°
CACCAFCAJCAV0.5°0.1°
CAFCACCAEHAE178.5°180.0°
CACCAFCAJHAJ179.5°179.9°
CAFCAJCAVHAJ180.0°179.8°
CAFCAJCAVCAQ179.5°179.9°
CAJCAFCACHAC178.7°180.0°
CAJCAVCAQCAO170.5°90.1°
CAJCAVCAIHAI179.6°179.7°
CAVCAJCAFHAF179.4°179.9°
CAJCAVCAQHAQ150.5°29.9°
CAJCAVCAQHAQ271.6°149.9°
CAVCAQCAOHAQ1120.0°120.0°
CAVCAQCAOHAQ2117.9°120.0°
CAVCAQCAOCAM177.3°180.0°
CAQCAVCAIHAI0.7°0.3°
CAQCAVCAJHAJ0.5°0.2°
CAVCAQHAQ1HAQ2118.0°120.0°
CAVCAQCAOHAO157.3°60.1°
CAVCAQCAOHAO262.1°60.0°
CAQCAOCAMHAO1120.0°120.0°
CAQCAOCAMHAO2120.6°120.0°
CAQCAOCAMCAN177.5°180.0°
CAOCAQHAQ1HAQ2118.0°120.0°
CAQCAOHAO1HAO2120.6°120.1°
CAQCAOCAMHAM157.5°60.0°
CAQCAOCAMHAM263.9°60.0°
CAOCAMCANHAM1120.0°119.9°
CAOCAMCANHAM2118.7°120.0°
CAOCAMCANCAP158.8°180.0°
CAMCAOCAQHAQ162.7°60.0°
CAMCAOCAQHAQ259.4°60.0°
CAMCAOHAO1HAO2120.6°120.0°
CAOCAMHAM1HAM2118.8°120.0°
CAOCAMCANHAN181.2°60.1°
CAOCAMCANHAN239.5°60.0°
CAMCANCAPHAN1120.0°120.0°
CAMCANCAPHAN2119.3°120.0°
CAMCANCAPCAR92.3°NaN°
CANCAMCAOHAO162.5°60.0°
CANCAMCAOHAO256.9°60.0°
CANCAMHAM1HAM2118.7°120.1°
CAMCANHAN1HAN2119.3°120.1°
CAMCANCAPHAP127.7°60.0°
CAMCANCAPHAP2148.0°60.0°
CANCAPCARHAP1120.0°119.9°
CANCAPCARHAP2119.7°120.0°
CANCAPCARCAZ177.4°NaN°
CAPCANCAMHAM138.8°60.1°
CAPCANCAMHAM282.5°60.0°
CAPCANHAN1HAN2119.3°120.0°
CANCAPHAP1HAP2119.7°120.0°
CANCAPCARHAR162.7°60.0°
CANCAPCARHAR258.2°60.0°
CAPCARCAZHAR1120.0°119.9°
CAPCARCAZHAR2119.2°120.0°
CAPCARCAZOAA60.1°60.0°
CAPCARCAZOXT60.3°60.0°
CAPCARCAZCAY179.2°180.0°
CARCAPCANHAN1147.7°60.0°
CARCAPCANHAN227.0°60.0°
CARCAPHAP1HAP2119.7°120.1°
CAPCARHAR1HAR2119.2°120.0°
CARCAZOAAOXT118.7°120.0°
CARCAZOAACAY120.4°119.9°
CARCAZOXTCAY120.0°119.9°
CARCAZCAYNAT2.7°115.0°
CARCAZCAYOAU176.6°65.4°
CAZCARCAPHAP157.4°60.1°
CAZCARCAPHAP262.9°60.0°
CAZCARHAR1HAR2119.2°120.0°
CARCAZOXTHXT145.3°60.0°
CARCAZOAAHAA56.1°60.0°
OAACAZOXTCAY119.0°120.1°
OAACAZCAYNAT118.5°4.9°
OAACAZCAYOAU62.3°174.7°
OAACAZCARHAR1179.9°180.0°
OAACAZCARHAR259.1°60.0°
OAACAZOXTHXT24.3°179.9°
OXTCAZCAYNAT121.1°125.0°
OXTCAZCAYOAU58.2°54.6°
OXTCAZCARHAR159.7°59.9°
OXTCAZCARHAR2179.5°180.0°
OXTCAZOAAHAA62.6°180.0°
CAZCAYNATOAU179.3°179.7°
CAZCAYNATCAX180.0°179.9°
CAZCAYOAUCAL179.0°180.0°
CAYCAZCARHAR160.8°60.0°
CAYCAZCARHAR260.0°60.0°
CAYCAZOXTHXT94.7°60.0°
CAYCAZOAAHAA176.5°59.9°
NATCAYOAUCAL1.7°0.3°
CAYNATCAXCAL0.7°0.2°
CAYNATCAXCAW179.2°180.0°
OAUCAYNATCAX0.6°0.3°
CAYOAUCALCAX2.1°0.2°
CAYOAUCALHAL177.9°180.0°
NATCAXCALOAU1.8°0.0°
NATCAXCALCAW178.5°179.9°
NATCAXCAWCAK15.0°0.0°
NATCAXCAWNAS163.7°179.8°
NATCAXCALHAL178.2°179.8°
OAUCALCAXHAL180.0°179.8°
OAUCALCAXCAW179.7°179.8°
CALCAXCAWCAK166.8°179.8°
CALCAXCAWNAS14.5°0.1°
CAXCAWCAKNAS178.7°179.7°
CAXCAWCAKCAG179.6°180.0°
CAXCAWNASCAH179.8°179.8°
CAWCAXCALHAL0.3°0.0°
CAXCAWCAKHAK0.4°0.1°
CAWCAKCAGHAK180.0°179.9°
CAWCAKCAGCAD2.0°0.0°
CAKCAWNASCAH1.1°0.5°
CAWCAKCAGHAG178.0°180.0°
NASCAWCAKCAG1.6°0.3°
CAWNASCAHCAD0.9°0.5°
NASCAWCAKHAK178.4°179.8°
CAWNASCAHHAH179.1°179.8°
CAKCAGCADHAG180.0°180.0°
CAKCAGCADCAH1.8°0.0°
CAKCAGCADHAD178.2°180.0°
CAGCADCAHHAD180.0°180.0°
CAGCADCAHNAS1.3°0.3°
CADCAGCAKHAK178.0°179.9°
CAGCADCAHHAH178.8°180.0°
CADCAHNASHAH180.0°179.7°
CAHCADCAGHAG178.2°180.0°
NASCAHCADHAD178.7°179.7°
HAICAICAEHAE1.1°0.2°
HAECAECACHAC1.6°0.1°
HACCACCAFHAF1.3°0.0°
HAFCAFCAJHAJ0.6°0.1°
HAQ1CAQCAOHAO1177.3°180.0°
HAQ1CAQCAOHAO257.9°60.0°
HAQ2CAQCAOHAO160.6°60.0°
HAQ2CAQCAOHAO2180.0°180.0°
HAO1CAOCAMHAM1177.5°180.0°
HAO1CAOCAMHAM256.1°60.0°
HAO2CAOCAMHAM163.1°60.0°
HAO2CAOCAMHAM2175.5°180.0°
HAM1CAMCANHAN1158.8°180.0°
HAM1CAMCANHAN280.5°59.9°
HAM2CAMCANHAN137.4°60.0°
HAM2CAMCANHAN2158.2°180.0°
HAN1CANCAPHAP192.3°180.0°
HAN1CANCAPHAP228.0°60.0°
HAN2CANCAPHAP1147.0°60.0°
HAN2CANCAPHAP292.8°180.0°
HAP1CAPCARHAR1177.3°180.0°
HAP1CAPCARHAR261.8°60.0°
HAP2CAPCARHAR157.1°60.0°
HAP2CAPCARHAR2177.9°180.0°
HAKCAKCAGHAG2.0°0.1°
HAGCAGCADHAD1.8°0.0°
HADCADCAHHAH1.2°0.0°

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PDB entries from 2024-10-09

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