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8HR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAJCAIdoub1.36Å1.38ÅAromatic
CAJCABsing1.41Å1.37ÅAromatic
CACCABsing1.40Å1.38ÅAromatic
CACCADdoub1.36Å1.40ÅAromatic
CAICAHsing1.40Å1.37ÅAromatic
CABCAAdoub1.42Å1.38ÅAromatic
CADCAEsing1.41Å1.41ÅAromatic
CBDCBCdoub1.38Å1.39ÅAromatic
CBDCAKsing1.39Å1.39ÅAromatic
CAHCAKsing1.48Å1.37Å
CAHNAGdoub1.32Å1.35ÅAromatic
CBCCBBsing1.38Å1.39ÅAromatic
CAANAGsing1.34Å1.34ÅAromatic
CAACAFsing1.41Å1.38ÅAromatic
CAKCAZdoub1.39Å1.39ÅAromatic
CAECAFdoub1.38Å1.40ÅAromatic
CAECALsing1.48Å1.40Å
CAOCAPsing1.53Å1.52Å
CAONAMsing1.47Å1.49Å
CAPNAQsing1.47Å1.48Å
CAYCAXsing1.53Å1.53Å
CBBCBAdoub1.38Å1.39ÅAromatic
CAZCBAsing1.38Å1.39ÅAromatic
OAUCATdoub1.21Å1.23Å
CALNAMsing1.35Å1.36Å
CALOANdoub1.22Å1.23Å
NAMCASsing1.47Å1.51Å
CAWCAXsing1.53Å1.53Å
CAWOAVsing1.45Å1.42Å
NAQCATsing1.35Å1.34Å
NAQCARsing1.47Å1.49Å
CATOAVsing1.35Å1.36Å
CARCASsing1.53Å1.55Å
CACH1sing1.08Å1.08Å
CADH2sing1.08Å1.08Å
CAFH3sing1.08Å1.08Å
CAIH4sing1.08Å1.08Å
CAJCL1sing1.74Å1.03Å
CAOH6sing1.09Å1.10Å
CAOH7sing1.09Å1.10Å
CAPH8sing1.09Å1.10Å
CAPH9sing1.09Å1.10Å
CARH10sing1.09Å1.10Å
CARH11sing1.09Å1.10Å
CASH12sing1.09Å1.10Å
CASH13sing1.09Å1.10Å
CAWH14sing1.09Å1.10Å
CAWH15sing1.09Å1.10Å
CAXH16sing1.09Å1.10Å
CAXH17sing1.09Å1.10Å
CAYH18sing1.09Å1.10Å
CAYH19sing1.09Å1.10Å
CAYH20sing1.09Å1.10Å
CAZH21sing1.08Å1.08Å
CBAH22sing1.08Å1.08Å
CBBH23sing1.08Å1.08Å
CBCH24sing1.08Å1.08Å
CBDH25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAICAJCAB122.8°118.3°
CAJCAICAH116.4°119.9°
CAJCAIH4121.8°120.1°
CAICAJCL1118.6°120.9°
CAJCABCAC120.6°121.0°
CAJCABCAA117.8°119.1°
CABCAJCL1118.6°120.8°
CABCACCAD119.1°120.0°
CACCABCAA121.7°119.9°
CABCACH1120.5°120.0°
CACCADCAE119.9°120.7°
CADCACH1120.4°120.0°
CACCADH2120.0°119.7°
CAICAHCAK119.5°119.3°
CAICAHNAG121.6°121.5°
CAHCAIH4121.8°120.1°
CABCAANAG119.8°119.9°
CABCAACAF119.4°119.3°
CADCAECAF119.1°120.6°
CADCAECAL123.6°119.7°
CAECADH2120.1°119.6°
CBCCBDCAK119.5°119.9°
CBDCBCCBB121.0°120.1°
CBDCBCH24119.5°119.9°
CBCCBDH25120.3°120.0°
CBDCAKCAH123.4°120.1°
CBDCAKCAZ119.9°119.8°
CAKCBDH25120.3°120.1°
CAKCAHNAG118.8°119.2°
CAHCAKCAZ116.7°120.1°
CAHNAGCAA121.6°121.3°
CBCCBBCBA119.0°120.3°
CBCCBBH23120.5°119.9°
CBBCBCH24119.5°120.0°
NAGCAACAF120.7°120.8°
CAACAFCAE120.8°119.5°
CAACAFH3119.6°120.2°
CAKCAZCBA119.9°119.9°
CAKCAZH21120.0°120.1°
CAFCAECAL117.3°119.7°
CAECAFH3119.6°120.3°
CAECALNAM120.2°120.0°
CAECALOAN118.0°120.0°
CAPCAONAM111.5°108.6°
CAOCAPNAQ109.9°108.6°
CAPCAOH6109.0°109.6°
CAPCAOH7109.0°109.6°
CAOCAPH8109.3°109.6°
CAOCAPH9109.4°109.6°
CAONAMCAL122.1°120.6°
CAONAMCAS117.1°118.8°
NAMCAOH6109.0°109.6°
NAMCAOH7109.0°109.6°
CAPNAQCAT117.8°120.6°
CAPNAQCAR119.8°118.8°
NAQCAPH8109.4°109.6°
NAQCAPH9109.3°109.6°
CAYCAXCAW110.2°109.5°
CAYCAXH16109.3°109.5°
CAYCAXH17109.3°109.5°
CAXCAYH18109.5°109.5°
CAXCAYH19109.5°109.5°
CAXCAYH20109.5°109.5°
CBBCBACAZ120.7°120.1°
CBBCBAH22119.7°119.9°
CBACBBH23120.5°119.9°
CBACAZH21120.1°120.1°
CAZCBAH22119.6°120.0°
OAUCATNAQ118.8°120.0°
OAUCATOAV119.6°120.0°
NAMCALOAN121.6°120.0°
CALNAMCAS120.8°120.6°
NAMCASCAR111.8°108.7°
NAMCASH12108.9°109.6°
NAMCASH13108.9°109.8°
CAXCAWOAV107.6°109.5°
CAXCAWH14109.9°109.4°
CAXCAWH15109.9°109.4°
CAWCAXH16109.3°109.4°
CAWCAXH17109.3°109.5°
CAWOAVCAT110.8°117.0°
OAVCAWH14110.0°109.5°
OAVCAWH15109.9°109.5°
CATNAQCAR122.4°120.6°
NAQCATOAV121.6°120.0°
NAQCARCAS110.7°108.6°
NAQCARH10109.1°109.6°
NAQCARH11109.2°109.7°
CASCARH10109.2°109.7°
CASCARH11109.2°109.6°
CARCASH12108.9°109.6°
CARCASH13108.9°109.6°
H6CAOH7109.5°109.7°
H8CAPH9109.5°109.7°
H10CARH11109.5°109.6°
H12CASH13109.5°109.6°
H14CAWH15109.5°109.4°
H16CAXH17109.5°109.4°
H18CAYH19109.5°109.4°
H18CAYH20109.5°109.5°
H19CAYH20109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAICAJCABCL1180.0°179.9°
CAICAJCABCAC179.5°179.9°
CAJCAICAHH4180.0°179.8°
CAICAJCABCAA0.9°0.0°
CAJCAICAHCAK179.2°179.9°
CAJCAICAHNAG0.1°0.3°
CAJCABCACCAA179.6°179.9°
CAJCABCACCAD179.0°180.0°
CABCAJCAICAH0.5°0.1°
CAJCABCAANAG0.8°0.1°
CAJCABCAACAF179.4°179.7°
CAJCABCACH11.0°0.1°
CABCAJCAIH4179.5°179.7°
CABCACCADH1180.0°179.9°
CABCACCADCAE1.0°0.1°
CACCABCAANAG179.6°180.0°
CACCABCAACAF0.1°0.4°
CABCACCADH2179.0°179.9°
CACCABCAJCL10.4°0.0°
CADCACCABCAA0.5°0.1°
CACCADCAEH2180.0°180.0°
CACCADCAECAF1.1°0.3°
CACCADCAECAL178.8°180.0°
CAICAHCAKCBD9.4°0.7°
CAICAHCAKNAG179.3°179.6°
CAICAHNAGCAA0.0°0.4°
CAICAHCAKCAZ172.3°179.6°
CAHCAICAJCL1179.5°179.8°
CABCAANAGCAH0.4°0.3°
CABCAANAGCAF179.8°179.7°
CABCAACAFCAE0.3°0.6°
CAACABCACH1179.5°180.0°
CABCAACAFH3179.7°179.7°
CAACABCAJCL1179.1°179.9°
CADCAECAFCAA0.8°0.5°
CADCAECAFCAL179.9°179.7°
CADCAECALNAM67.1°128.6°
CADCAECALOAN118.1°51.4°
CAECADCACH1178.9°180.0°
CADCAECAFH3179.2°179.7°
CBCCBDCAKH25180.0°179.4°
CBCCBDCAKCAH178.7°179.7°
CBDCBCCBBH24180.0°179.8°
CBCCBDCAKCAZ0.5°0.6°
CBDCBCCBBCBA0.2°0.3°
CBDCBCCBBH23179.9°179.8°
CBDCAKCAHCAZ178.3°179.7°
CBDCAKCAHNAG169.9°179.7°
CAKCBDCBCCBB0.3°0.6°
CBDCAKCAZCBA0.6°0.3°
CBDCAKCAZH21179.4°179.7°
CAKCBDCBCH24179.7°179.7°
CAKCAHNAGCAA179.3°180.0°
CAHCAKCAZCBA178.9°180.0°
CAKCAHCAIH40.8°0.1°
CAHCAKCAZH211.1°0.0°
CAHCAKCBDH251.2°0.3°
CAHNAGCAACAF179.8°179.9°
NAGCAHCAKCAZ8.4°0.0°
NAGCAHCAIH4179.9°179.5°
CBCCBBCBAH23180.0°180.0°
CBCCBBCBACAZ0.2°0.0°
CBCCBBCBAH22179.7°180.0°
CBBCBCCBDH25179.7°180.0°
NAGCAACAFCAE179.5°179.8°
NAGCAACAFH30.5°0.0°
CAACAFCAEH3180.0°179.7°
CAACAFCAECAL179.2°179.7°
CAKCAZCBACBB0.5°0.0°
CAKCAZCBAH21180.0°180.0°
CAKCAZCBAH22179.5°179.9°
CAZCAKCBDH25179.5°180.0°
CAFCAECALNAM112.9°51.7°
CAFCAECALOAN61.9°128.3°
CAFCAECADH2178.8°179.7°
CAECALNAMCAO3.0°3.8°
CAECALNAMOAN174.6°180.0°
CAECALNAMCAS175.9°176.3°
CALCAECADH21.2°0.0°
CALCAECAFH30.8°0.0°
CAPCAONAMH6120.3°119.8°
CAPCAONAMH7120.3°119.7°
CAOCAPNAQH8120.1°119.8°
CAOCAPNAQH9120.1°119.7°
CAPCAONAMCAL145.5°124.8°
CAPCAONAMCAS33.5°55.3°
CAOCAPNAQCAT153.0°124.8°
CAOCAPNAQCAR27.2°55.2°
CAPCAOH6H7119.1°120.4°
CAOCAPH8H9119.8°120.4°
NAMCAOCAPNAQ58.2°49.5°
CAONAMCALCAS178.9°179.9°
CAONAMCALOAN177.6°176.2°
CAONAMCASCAR21.1°55.2°
NAMCAOH6H7119.1°120.4°
NAMCAOCAPH861.9°70.3°
NAMCAOCAPH9178.2°169.2°
CAONAMCASH12141.4°175.0°
CAONAMCASH1399.3°64.6°
CAPNAQCATOAU0.7°0.0°
CAPNAQCATCAR179.8°180.0°
CAPNAQCATOAV179.6°180.0°
CAPNAQCARCAS26.6°55.2°
NAQCAPCAOH662.1°70.3°
NAQCAPCAOH7178.5°169.2°
NAQCAPH8H9119.8°120.4°
CAPNAQCARH10146.8°175.0°
CAPNAQCARH1193.6°64.6°
CAYCAXCAWH16120.1°120.0°
CAYCAXCAWH17120.1°120.0°
CAYCAXCAWOAV171.2°180.0°
CAYCAXCAWH1451.4°59.9°
CAYCAXCAWH1569.1°60.0°
CAYCAXH16H17119.7°120.0°
CAXCAYH18H19120.0°120.0°
CAXCAYH18H20120.0°120.0°
CAXCAYH19H20120.0°120.0°
CBBCBACAZH22180.0°179.9°
CBBCBACAZH21179.5°180.0°
CBACBBCBCH24179.8°179.9°
CAZCBACBBH23179.8°179.9°
OAUCATOAVCAW54.0°0.1°
OAUCATNAQOAV178.9°179.9°
OAUCATNAQCAR179.1°180.0°
CALNAMCASCAR160.0°124.8°
CALNAMCAOH694.2°115.4°
CALNAMCAOH725.1°5.1°
CALNAMCASH1239.7°5.1°
CALNAMCASH1379.6°115.4°
OANCALNAMCAS1.3°3.7°
NAMCASCARNAQ51.1°49.4°
NAMCASCARH12120.3°119.7°
NAMCASCARH13120.3°119.9°
CASNAMCAOH686.8°64.5°
CASNAMCAOH7153.8°175.0°
NAMCASCARH10171.3°169.2°
NAMCASCARH1169.1°70.5°
NAMCASH12H13118.9°120.5°
CAXCAWOAVH14119.7°120.0°
CAXCAWOAVH15119.7°120.0°
CAXCAWOAVCAT172.8°180.0°
CAXCAWH14H15120.9°119.9°
CAWCAXH16H17119.7°119.9°
CAWCAXCAYH18180.0°60.0°
CAWCAXCAYH1960.0°60.0°
CAWCAXCAYH2060.0°180.0°
CAWOAVCATNAQ127.1°180.0°
OAVCAWH14H15120.9°120.0°
OAVCAWCAXH1668.7°60.0°
OAVCAWCAXH1751.1°60.0°
CATNAQCARCAS153.2°124.8°
CATNAQCAPH886.9°115.5°
CATNAQCAPH933.0°5.0°
CATNAQCARH1033.0°5.0°
CATNAQCARH1186.6°115.4°
CARNAQCATOAV0.2°0.0°
NAQCARCASH10120.2°119.8°
NAQCARCASH11120.2°119.9°
CARNAQCAPH892.9°64.6°
CARNAQCAPH9147.2°174.9°
NAQCARH10H11119.4°120.5°
NAQCARCASH12171.5°169.2°
NAQCARCASH1369.2°70.5°
CATOAVCAWH1453.1°60.0°
CATOAVCAWH1567.5°60.0°
CASCARH10H11119.4°120.3°
CARCASH12H13119.0°120.3°
H1CACCADH21.1°0.0°
H4CAICAJCL10.5°0.4°
H6CAOCAPH8177.8°169.9°
H6CAOCAPH957.9°49.4°
H7CAOCAPH858.4°49.4°
H7CAOCAPH961.5°71.1°
H10CARCASH1268.3°71.1°
H10CARCASH1351.0°49.3°
H11CARCASH1251.3°49.3°
H11CARCASH13170.6°169.6°
H14CAWCAXH16171.5°60.1°
H14CAWCAXH1768.7°180.0°
H15CAWCAXH1651.0°180.0°
H15CAWCAXH17170.8°60.1°
H16CAXCAYH1859.9°180.0°
H16CAXCAYH1960.1°60.0°
H16CAXCAYH20179.9°60.0°
H17CAXCAYH1859.9°60.0°
H17CAXCAYH19179.9°180.0°
H17CAXCAYH2060.1°60.0°
H18CAYH19H20120.0°120.0°
H21CAZCBAH220.5°0.0°
H22CBACBBH230.2°0.0°
H23CBBCBCH240.2°0.0°
H24CBCCBDH250.3°0.2°

222415

PDB entries from 2024-07-10

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