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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OARPAOdoub1.48Å1.57Å
CBDSBEsing1.81Å1.84Å
CBDCAZsing1.53Å1.44Å
OAPPAOsing1.61Å1.55Å
OBBCBAdoub1.21Å1.31Å
PAOOAQsing1.61Å1.52Å
PAOOANsing1.61Å1.59Å
CAZCBAsing1.51Å1.62Å
CAZNATsing1.47Å1.44Å
CBAOBCsing1.34Å1.20Å
CAMOANsing1.43Å1.47Å
CAMCAFsing1.51Å1.50Å
NATCAJsing1.47Å1.55Å
CAJNASsing1.47Å1.48Å
CAJCADsing1.51Å1.48Å
CAUNASsing1.47Å1.47Å
CAUCAVsing1.53Å1.61Å
CAFCADsing1.39Å1.38ÅAromatic
CAFCAGdoub1.38Å1.32ÅAromatic
CADCAEdoub1.39Å1.42ÅAromatic
NCAsing1.47Å1.50Å
CAGNAHsing1.32Å1.40ÅAromatic
CAWCAVsing1.53Å1.52Å
CAWCBsing1.53Å1.60Å
CAEOAKsing1.36Å1.36Å
CAECAIsing1.39Å1.42ÅAromatic
CACBsing1.53Å1.55Å
CACsing1.51Å1.53Å
NAHCAIdoub1.32Å1.33ÅAromatic
CAICALsing1.51Å1.52Å
COdoub1.21Å1.22Å
OAPH1sing0.97Å0.95Å
OAQH2sing0.97Å0.95Å
CAMH3sing1.09Å1.10Å
CAMH4sing1.09Å1.10Å
CAGH5sing1.08Å1.08Å
CALH6sing1.09Å1.10Å
CALH7sing1.09Å1.10Å
CALH8sing1.09Å1.10Å
OAKH9sing0.97Å0.95Å
CAJH10sing1.09Å1.10Å
NATH11sing1.01Å1.00Å
CAZH13sing1.09Å1.10Å
OBCH14sing0.97Å0.95Å
CBDH15sing1.09Å1.10Å
CBDH16sing1.09Å1.10Å
SBEH17sing1.34Å1.30Å
NASH18sing1.01Å1.00Å
CAUH20sing1.09Å1.10Å
CAUH21sing1.09Å1.10Å
CAVH22sing1.09Å1.10Å
CAVH23sing1.09Å1.10Å
CAWH24sing1.09Å1.10Å
CAWH25sing1.09Å1.10Å
CBH26sing1.09Å1.10Å
CBH27sing1.09Å1.10Å
CAH28sing1.09Å1.10Å
NH30sing1.01Å1.00Å
NH31sing1.01Å1.00Å
COXTsing1.34Å1.42Å
OXTHXTsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OARPAOOAP110.1°109.5°
OARPAOOAQ111.8°109.5°
OARPAOOAN105.6°109.5°
SBECBDCAZ100.7°109.5°
SBECBDH15111.6°109.5°
SBECBDH16111.6°109.5°
CBDSBEH17102.0°103.0°
CBDCAZCBA114.1°109.5°
CBDCAZNAT115.7°109.5°
CBDCAZH13107.1°109.5°
CAZCBDH15111.6°109.5°
CAZCBDH16111.6°109.4°
OAPPAOOAQ115.0°109.5°
OAPPAOOAN111.1°109.5°
PAOOAPH1109.5°114.0°
OBBCBACAZ127.1°120.0°
OBBCBAOBC123.4°120.1°
OAQPAOOAN102.7°109.4°
PAOOAQH2109.5°114.0°
PAOOANCAM118.2°123.1°
CBACAZNAT107.0°109.4°
CAZCBAOBC109.1°120.0°
CBACAZH13105.2°109.4°
CAZNATCAJ131.2°111.0°
CAZNATH11103.8°111.0°
NATCAZH13107.1°109.5°
CBAOBCH14109.5°117.0°
OANCAMCAF105.9°109.5°
OANCAMH3110.4°109.5°
OANCAMH4110.4°109.4°
CAMCAFCAD123.0°120.4°
CAMCAFCAG118.6°120.4°
CAFCAMH3110.4°109.5°
CAFCAMH4110.4°109.5°
NATCAJNAS101.5°109.4°
NATCAJCAD105.7°109.5°
NATCAJH10114.7°109.4°
CAJNATH11103.8°111.0°
NASCAJCAD100.8°109.5°
CAJNASCAU135.0°111.0°
NASCAJH10116.1°109.4°
CAJNASH18102.7°111.0°
CAJCADCAF118.2°120.8°
CAJCADCAE123.1°120.9°
CADCAJH10116.1°109.6°
NASCAUCAV114.9°109.5°
CAUNASH18102.8°111.0°
NASCAUH20108.1°109.5°
NASCAUH21108.1°109.5°
CAUCAVCAW111.3°109.4°
CAVCAUH20108.1°109.5°
CAVCAUH21108.1°109.4°
CAUCAVH22109.0°109.4°
CAUCAVH23109.0°109.4°
CADCAFCAG118.0°119.2°
CAFCADCAE118.6°118.4°
CAFCAGNAH122.9°120.9°
CAFCAGH5118.5°119.5°
CADCAEOAK120.3°120.4°
CADCAECAI122.8°119.1°
NCACB109.7°109.5°
NCAC112.1°109.5°
NCAH28109.7°109.5°
CANH30109.5°111.0°
CANH31109.5°111.0°
CAGNAHCAI123.2°121.7°
NAHCAGH5118.5°119.5°
CAVCAWCB116.3°109.4°
CAWCAVH22109.0°109.5°
CAWCAVH23109.0°109.5°
CAVCAWH24107.8°109.6°
CAVCAWH25107.7°109.5°
CAWCBCA102.2°109.5°
CBCAWH24107.7°109.4°
CBCAWH25107.7°109.5°
CAWCBH26111.3°109.4°
CAWCBH27111.3°109.4°
OAKCAECAI116.9°120.5°
CAEOAKH9109.5°114.0°
CAECAINAH114.3°120.7°
CAECAICAL127.3°119.7°
CBCAC106.8°109.4°
CACBH26111.2°109.4°
CACBH27111.3°109.5°
CBCAH28109.0°109.5°
CACO121.3°120.0°
CCAH28109.4°109.5°
CACOXT117.6°120.0°
NAHCAICAL118.4°119.6°
CAICALH6109.5°109.4°
CAICALH7109.4°109.5°
CAICALH8109.5°109.5°
OCOXT120.9°120.0°
H3CAMH4109.5°109.4°
H6CALH7109.5°109.5°
H6CALH8109.5°109.5°
H7CALH8109.5°109.5°
H15CBDH16109.5°109.5°
H20CAUH21109.4°109.4°
H22CAVH23109.5°109.5°
H24CAWH25109.5°109.4°
H26CBH27109.5°109.5°
H30NH31109.5°111.0°
COXTHXT109.5°117.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OARPAOOAPOAQ127.3°120.0°
OARPAOOAPOAN116.6°120.0°
OARPAOOAQOAN112.7°120.0°
OARPAOOANCAM52.1°55.0°
OARPAOOAPH10.0°60.0°
OARPAOOAQH20.0°179.9°
SBECBDCAZH15118.6°120.0°
SBECBDCAZH16118.6°120.0°
SBECBDCAZCBA68.0°169.5°
SBECBDCAZNAT56.7°49.6°
SBECBDCAZH13176.0°70.5°
SBECBDH15H16124.1°120.0°
CBDCAZCBAOBB9.8°132.7°
CBDCAZCBANAT129.2°120.0°
CBDCAZCBAH13117.1°120.0°
CBDCAZNATH13119.3°120.1°
CBDCAZCBAOBC177.2°47.3°
CBDCAZNATCAJ22.8°41.8°
CBDCAZNATH11100.0°165.9°
CAZCBDH15H16124.1°120.0°
CAZCBDSBEH17180.0°180.0°
OAPPAOOAQOAN120.8°120.0°
OAPPAOOANCAM67.2°175.0°
OAPPAOOAQH2126.5°59.9°
OBBCBACAZOBC172.9°180.0°
OBBCBACAZNAT139.1°12.7°
OBBCBACAZH13107.2°107.3°
OBBCBAOBCH140.0°0.0°
OAQPAOOANCAM169.4°65.0°
OAQPAOOAPH1127.4°60.0°
PAOOANCAMCAF166.4°180.0°
OANPAOOAPH1116.6°180.0°
OANPAOOAQH2112.7°60.1°
PAOOANCAMH346.9°60.0°
PAOOANCAMH474.2°60.0°
CBACAZNATH13112.4°119.9°
CBACAZNATCAJ151.1°78.2°
CBACAZNATH1128.3°45.9°
CAZCBAOBCH14173.3°180.0°
CBACAZCBDH1550.6°70.4°
CBACAZCBDH16173.4°49.5°
NATCAZCBAOBC48.0°167.3°
CAZNATCAJH11122.8°124.0°
CAZNATCAJNAS135.1°104.6°
CAZNATCAJCAD120.1°135.3°
CAZNATCAJH109.2°15.2°
NATCAZCBDH15175.3°169.6°
NATCAZCBDH1661.9°70.4°
OBCCBACAZH1365.7°72.7°
OANCAMCAFH3119.4°120.0°
OANCAMCAFH4119.4°120.0°
OANCAMCAFCAD70.5°180.0°
OANCAMCAFCAG116.8°0.3°
OANCAMH3H4121.6°119.9°
CAMCAFCADCAJ5.9°0.0°
CAMCAFCADCAG172.7°179.8°
CAMCAFCADCAE177.4°179.8°
CAMCAFCAGNAH175.1°180.0°
CAFCAMH3H4121.7°120.1°
CAMCAFCAGH54.8°0.1°
NATCAJNASCAD108.6°120.0°
NATCAJNASH10125.1°119.9°
NATCAJCADH10128.4°120.0°
NATCAJNASCAU67.4°106.4°
NATCAJCADCAF141.9°179.7°
NATCAJCADCAE41.5°0.1°
CAJNATCAZH1396.5°161.9°
NATCAJNASH1855.7°17.6°
NASCAJCADH10126.3°120.0°
CAJNASCAUH18123.1°124.0°
CAJNASCAUCAV174.1°173.7°
NASCAJCADCAF112.8°60.3°
NASCAJCADCAE63.7°119.9°
NASCAJNATH1112.3°19.4°
CAJNASCAUH2065.1°66.2°
CAJNASCAUH2153.2°53.7°
CADCAJNASCAU176.0°133.6°
CAJCADCAFCAE176.7°179.8°
CAJCADCAFCAG178.7°179.8°
CAJCADCAEOAK1.1°0.0°
CAJCADCAECAI179.4°179.8°
CADCAJNATH11117.1°100.7°
CADCAJNASH1852.9°102.4°
NASCAUCAVH20120.8°120.1°
NASCAUCAVH21120.8°120.0°
NASCAUCAVCAW141.9°180.0°
CAUNASCAJH1057.6°13.5°
NASCAUH20H21117.5°120.0°
NASCAUCAVH2297.9°59.9°
NASCAUCAVH2321.6°60.1°
CAUCAVCAWH22120.3°120.0°
CAUCAVCAWH23120.3°119.9°
CAUCAVCAWCB168.7°180.0°
CAVCAUNASH1850.9°49.7°
CAVCAUH20H21117.5°119.9°
CAUCAVH22H23119.2°119.9°
CAUCAVCAWH2447.7°60.0°
CAUCAVCAWH2570.3°60.0°
CADCAFCAGNAH2.1°0.2°
CAFCADCAEOAK177.6°179.8°
CAFCADCAECAI4.1°0.4°
CADCAFCAMH349.0°60.0°
CADCAFCAMH4170.1°60.0°
CADCAFCAGH5177.9°179.7°
CAFCADCAJH1013.5°59.7°
CAGCAFCADCAE4.7°0.4°
CAFCAGNAHH5180.0°179.9°
CAFCAGNAHCAI1.6°0.1°
CAGCAFCAMH3123.7°119.7°
CAGCAFCAMH42.6°120.2°
CADCAEOAKCAI178.4°179.8°
CADCAECAINAH0.6°0.2°
CADCAECAICAL179.4°179.8°
CADCAEOAKH9180.0°89.8°
CAECADCAJH10169.9°120.1°
NCACBCAW76.2°65.0°
NCACBC121.7°120.0°
NCACBH28120.2°120.0°
NCACH28122.0°120.0°
NCACO172.0°19.9°
NCACBH26165.0°175.0°
NCACBH2742.6°55.0°
CANH30H31120.0°123.9°
NCACOXT12.6°160.0°
CAGNAHCAICAE2.2°0.1°
CAGNAHCAICAL177.8°179.9°
CAVCAWCBH24121.0°120.1°
CAVCAWCBH25121.0°120.0°
CAVCAWCBCA160.3°180.0°
CAWCAVCAUH2021.1°59.9°
CAWCAVCAUH2197.3°60.0°
CAWCAVH22H23119.2°120.1°
CAVCAWH24H25116.9°120.1°
CAVCAWCBH2641.5°60.0°
CAVCAWCBH2780.9°60.0°
CAWCBCAH26118.8°119.9°
CAWCBCAH27118.8°120.0°
CAWCBCAC162.0°175.0°
CBCAWCAVH2271.0°60.0°
CBCAWCAVH2348.4°60.1°
CBCAWH24H25116.9°119.9°
CAWCBH26H27123.4°120.0°
CAWCBCAH2844.0°55.0°
OAKCAECAINAH178.9°180.0°
OAKCAECAICAL1.0°0.0°
CAECAINAHCAL180.0°180.0°
CAECAICALH6180.0°90.0°
CAECAICALH760.0°30.0°
CAECAICALH860.0°150.0°
CAICAEOAKH91.6°90.0°
CBCACH28117.8°120.0°
CBCACO67.9°100.0°
CACBCAWH2478.7°60.0°
CACBCAWH2539.3°59.9°
CACBH26H27123.4°120.1°
CBCANH30180.0°176.1°
CBCANH3160.0°60.0°
CBCACOXT107.6°80.1°
CACOOXT175.3°179.9°
CCACBH2643.2°55.1°
CCACBH2779.1°65.0°
CCANH3061.5°64.0°
CCANH3158.4°59.9°
CACOXTHXT175.5°180.0°
CAINAHCAGH5178.4°180.0°
NAHCAICALH60.0°90.0°
NAHCAICALH7120.0°150.0°
NAHCAICALH8120.0°30.0°
CAICALH6H7120.0°120.0°
CAICALH6H8120.0°120.0°
CAICALH7H8120.0°120.0°
OCCAH2850.0°139.9°
OCOXTHXT0.0°0.1°
H6CALH7H8120.0°120.1°
H10CAJNATH11113.6°139.3°
H10CAJNASH18179.2°137.5°
H11NATCAZH13140.7°74.1°
H13CAZCBDH1565.4°49.5°
H13CAZCBDH1657.4°169.5°
H15CBDSBEH1761.4°60.0°
H16CBDSBEH1761.4°60.0°
H18NASCAUH20171.8°169.8°
H18NASCAUH2169.9°70.3°
H20CAUCAVH22141.3°180.0°
H20CAUCAVH2399.2°60.0°
H21CAUCAVH2223.0°60.0°
H21CAUCAVH23142.4°180.0°
H22CAVCAWH24168.0°180.0°
H22CAVCAWH2549.9°60.0°
H23CAVCAWH2472.6°59.9°
H23CAVCAWH25169.4°179.9°
H24CAWCBH26162.5°179.9°
H24CAWCBH2740.1°60.1°
H25CAWCBH2679.5°60.0°
H25CAWCBH27158.1°180.0°
H26CBCAH2874.8°64.9°
H27CBCAH28162.8°175.0°
H28CANH3060.2°56.0°
H28CANH31179.8°180.0°
H28CACOXT134.5°39.9°

224931

PDB entries from 2024-09-11

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