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I0S

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NCAsing1.47Å1.42Å
NCAGsing1.47Å1.40Å
NSAIsing1.66Å1.37Å
CACsing1.51Å1.56Å
CACBsing1.53Å1.55Å
COdoub1.21Å1.18Å
CNASsing1.35Å1.45Å
CBCAEsing1.53Å1.41Å
CAECAFsing1.53Å1.41Å
CAFCAGsing1.53Å1.53Å
CAJCAKdoub1.38Å1.39ÅAromatic
CAJCAPsing1.38Å1.39ÅAromatic
CAJSAIsing1.76Å1.82Å
CAKCALsing1.38Å1.38ÅAromatic
CALCAMdoub1.38Å1.38ÅAromatic
CAMCANsing1.51Å1.52Å
CAMCAOsing1.38Å1.38ÅAromatic
CAOCAPdoub1.38Å1.38ÅAromatic
CATNASsing1.39Å1.45Å
CATNAUdoub1.30Å1.34ÅAromatic
CATSBFsing1.76Å1.69ÅAromatic
CAVCAWsing1.48Å1.53Å
CAVCBEdoub1.34Å1.40ÅAromatic
CAVNAUsing1.33Å1.36ÅAromatic
CAWCAXdoub1.39Å1.38ÅAromatic
CAWCBDsing1.39Å1.38ÅAromatic
CAXCAYsing1.38Å1.38ÅAromatic
CAYCAZdoub1.39Å1.38ÅAromatic
CAZCBCsing1.39Å1.39ÅAromatic
CAZOBAsing1.36Å1.40Å
CBBOBAsing1.43Å1.40Å
CBCCBDdoub1.38Å1.39ÅAromatic
CBESBFsing1.76Å1.69ÅAromatic
OAQSAIdoub1.42Å1.65Å
OARSAIdoub1.42Å1.65Å
CBH1sing1.09Å1.10Å
CBH2sing1.09Å1.10Å
CAEH3sing1.09Å1.10Å
CAEH4sing1.09Å1.10Å
CAFH5sing1.09Å1.10Å
CAFH6sing1.09Å1.10Å
CAGH7sing1.09Å1.10Å
CAKH8sing1.08Å1.08Å
CALH9sing1.08Å1.08Å
CANH10sing1.09Å1.10Å
CANH11sing1.09Å1.10Å
CANH12sing1.09Å1.10Å
CAOH13sing1.08Å1.08Å
CAPH14sing1.08Å1.08Å
CAXH15sing1.08Å1.08Å
CAYH16sing1.08Å1.08Å
CBBH17sing1.09Å1.10Å
CBBH18sing1.09Å1.10Å
CBBH19sing1.09Å1.10Å
CBCH20sing1.08Å1.08Å
CBDH21sing1.08Å1.08Å
CBEH22sing1.08Å1.08Å
NASH23sing0.97Å1.00Å
CAH26sing1.09Å1.10Å
CAGH27sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CANCAG118.7°118.7°
CANSAI111.7°120.6°
NCAC106.4°109.6°
NCACB118.4°108.8°
NCAH26109.2°109.5°
CAGNSAI111.7°120.7°
NCAGCAF112.9°108.8°
NCAGH7108.6°109.6°
NCAGH27108.6°109.6°
NSAICAJ111.0°107.2°
NSAIOAQ109.5°106.4°
NSAIOAR109.1°106.4°
CCACB107.3°109.6°
CACO119.7°120.0°
CACNAS121.0°120.0°
CCAH26107.5°109.6°
CACBCAE116.5°109.3°
CACBH1107.7°109.5°
CACBH2107.7°109.5°
CBCAH26107.6°109.7°
OCNAS119.3°120.0°
CNASCAT118.2°120.0°
CNASH23120.9°120.0°
CBCAECAF112.2°109.5°
CAECBH1107.7°109.5°
CAECBH2107.7°109.5°
CBCAEH3108.8°109.5°
CBCAEH4108.8°109.4°
CAECAFCAG108.6°109.3°
CAFCAEH3108.8°109.5°
CAFCAEH4108.8°109.5°
CAECAFH5109.7°109.5°
CAECAFH6109.7°109.5°
CAGCAFH5109.7°109.4°
CAGCAFH6109.7°109.5°
CAFCAGH7108.6°109.6°
CAFCAGH27108.6°109.6°
CAKCAJCAP119.9°120.0°
CAKCAJSAI119.9°120.0°
CAJCAKCAL120.0°120.0°
CAJCAKH8120.0°120.0°
CAPCAJSAI120.2°120.0°
CAJCAPCAO120.0°120.0°
CAJCAPH14120.0°120.0°
CAJSAIOAQ108.9°106.4°
CAJSAIOAR109.1°106.3°
CAKCALCAM119.9°120.0°
CALCAKH8120.0°120.0°
CAKCALH9120.1°120.0°
CALCAMCAN120.2°120.0°
CALCAMCAO120.1°120.0°
CAMCALH9120.0°120.0°
CANCAMCAO119.7°120.0°
CAMCANH10109.5°109.5°
CAMCANH11109.5°109.5°
CAMCANH12109.5°109.5°
CAMCAOCAP120.0°120.0°
CAMCAOH13120.0°120.0°
CAPCAOH13120.0°120.0°
CAOCAPH14120.0°120.0°
NASCATNAU126.7°125.3°
NASCATSBF126.5°125.3°
CATNASH23120.9°120.0°
NAUCATSBF106.8°109.4°
CATNAUCAV116.6°117.0°
CATSBFCBE97.2°90.0°
CAWCAVCBE123.0°122.3°
CAWCAVNAU122.9°122.3°
CAVCAWCAX119.3°120.1°
CAVCAWCBD120.7°120.0°
CBECAVNAU114.1°115.4°
CAVCBESBF105.2°108.2°
CAVCBEH22127.4°125.9°
CAXCAWCBD120.1°119.9°
CAWCAXCAY120.0°119.9°
CAWCAXH15120.0°120.0°
CAWCBDCBC119.8°119.9°
CAWCBDH21120.1°120.0°
CAXCAYCAZ120.1°120.1°
CAYCAXH15120.0°120.1°
CAXCAYH16120.0°119.9°
CAYCAZCBC119.9°120.1°
CAYCAZOBA119.0°120.0°
CAZCAYH16119.9°120.0°
CBCCAZOBA121.1°119.9°
CAZCBCCBD120.1°120.1°
CAZCBCH20120.0°119.9°
CAZOBACBB115.0°117.0°
OBACBBH17109.5°109.4°
OBACBBH18109.5°109.5°
OBACBBH19109.4°109.4°
CBDCBCH20120.0°120.0°
CBCCBDH21120.1°120.1°
SBFCBEH22127.4°125.9°
OAQSAIOAR109.2°123.2°
H1CBH2109.5°109.5°
H3CAEH4109.5°109.5°
H5CAFH6109.5°109.6°
H7CAGH27109.5°109.7°
H10CANH11109.4°109.5°
H10CANH12109.5°109.5°
H11CANH12109.5°109.5°
H17CBBH18109.5°109.5°
H17CBBH19109.5°109.5°
H18CBBH19109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CANCAGSAI132.1°179.7°
NCACCB127.6°119.3°
NCACH26116.9°120.2°
NCACBH26124.3°119.8°
NCACO55.3°67.9°
NCACNAS124.3°112.0°
NCACBCAE1.1°54.6°
CANCAGCAF26.5°53.6°
CANSAICAJ91.9°98.4°
CANSAIOAQ28.3°15.1°
CANSAIOAR147.7°148.1°
NCACBH1122.1°174.6°
NCACBH2120.0°65.3°
CANCAGH7147.0°173.4°
CANCAGH2794.1°66.2°
CAGNCAC118.9°173.4°
CAGNCACB1.9°53.5°
NCAGCAFCAE59.9°54.7°
NCAGCAFH7120.5°119.8°
NCAGCAFH27120.5°119.8°
CAGNSAICAJ43.6°81.2°
CAGNSAIOAQ163.9°165.2°
CAGNSAIOAR76.7°32.2°
NCAGCAFH5179.8°174.6°
NCAGCAFH659.9°65.3°
NCAGH7H27118.4°120.3°
CAGNCAH26125.4°66.4°
SAINCAC109.0°6.3°
SAINCACB130.3°126.1°
SAINCAGCAF158.6°126.1°
NSAICAJCAK112.7°90.0°
NSAICAJCAP67.9°90.3°
NSAICAJOAQ120.6°113.6°
NSAICAJOAR120.3°113.5°
NSAIOAQOAR119.4°123.0°
SAINCAGH780.9°6.3°
SAINCAH266.8°114.0°
SAINCAGH2738.1°114.1°
CCACBH26115.4°120.4°
CACONAS179.6°180.0°
CCACBCAE121.4°174.4°
CACNASCAT179.9°180.0°
CCACBH1117.6°65.6°
CCACBH20.4°54.5°
CACNASH230.1°0.0°
CBCACO177.1°51.4°
CBCACNAS3.3°128.6°
CACBCAEH1121.0°120.0°
CACBCAEH2121.0°119.9°
CACBCAECAF34.9°61.4°
CACBH1H2116.8°120.0°
CACBCAEH385.5°58.7°
CACBCAEH4155.3°178.6°
OCNASCAT0.4°0.0°
OCNASH23179.6°180.0°
OCCAH2661.6°171.8°
CNASCATH23180.0°180.0°
CNASCATNAU49.9°179.9°
CNASCATSBF129.8°0.3°
NASCCAH26118.8°8.2°
CBCAECAFH3120.4°120.0°
CBCAECAFH4120.4°120.0°
CBCAECAFCAG63.2°61.4°
CAECBH1H2116.8°120.1°
CBCAEH3H4118.8°120.0°
CBCAECAFH5176.9°178.7°
CBCAECAFH656.7°58.6°
CAECBCAH26123.2°65.2°
CAECAFCAGH5119.9°119.9°
CAECAFCAGH6119.9°120.0°
CAFCAECBH1155.9°178.6°
CAFCAECBH286.1°58.6°
CAFCAEH3H4118.7°120.0°
CAECAFH5H6120.4°120.1°
CAECAFCAGH7179.5°174.5°
CAECAFCAGH2760.6°65.1°
CAGCAFCAEH357.2°58.6°
CAGCAFCAEH4176.4°178.6°
CAGCAFH5H6120.4°120.1°
CAFCAGH7H27118.5°120.4°
CAKCAJCAPSAI179.3°179.7°
CAJCAKCALH8180.0°180.0°
CAJCAKCALCAM0.5°0.1°
CAKCAJCAPCAO0.6°0.0°
CAKCAJSAIOAQ126.7°23.6°
CAKCAJSAIOAR7.6°156.5°
CAJCAKCALH9179.5°180.0°
CAKCAJCAPH14179.4°179.9°
CAPCAJCAKCAL0.7°0.0°
CAJCAPCAOCAM0.4°0.1°
CAJCAPCAOH14180.0°180.0°
CAPCAJSAIOAQ52.7°156.1°
CAPCAJSAIOAR171.8°23.2°
CAPCAJCAKH8179.4°180.0°
CAJCAPCAOH13179.6°180.0°
SAICAJCAKCAL180.0°179.7°
SAICAJCAPCAO180.0°179.7°
CAJSAIOAQOAR119.1°122.9°
SAICAJCAKH80.0°0.3°
SAICAJCAPH140.0°0.4°
CAKCALCAMH9180.0°179.9°
CAKCALCAMCAN179.8°180.0°
CAKCALCAMCAO0.3°0.1°
CALCAMCANCAO179.9°179.9°
CALCAMCAOCAP0.2°0.1°
CAMCALCAKH8179.6°180.0°
CALCAMCANH1090.1°90.0°
CALCAMCANH11150.0°150.0°
CALCAMCANH1230.0°30.0°
CALCAMCAOH13179.8°180.0°
CANCAMCAOCAP179.9°180.0°
CANCAMCALH90.2°0.1°
CAMCANH10H11120.0°120.0°
CAMCANH10H12120.0°120.0°
CAMCANH11H12120.0°120.0°
CANCAMCAOH130.1°0.0°
CAMCAOCAPH13180.0°179.9°
CAOCAMCALH9179.7°180.0°
CAOCAMCANH1090.0°89.9°
CAOCAMCANH1129.9°30.0°
CAOCAMCANH12149.9°150.0°
CAMCAOCAPH14179.6°179.9°
NASCATNAUSBF179.7°179.8°
NASCATNAUCAV179.8°180.0°
NASCATSBFCBE179.8°180.0°
CATNAUCAVCAW180.0°179.9°
CATNAUCAVCBE0.0°0.1°
NAUCATSBFCBE0.1°0.2°
NAUCATNASH23130.2°0.0°
CATSBFCBECAV0.0°0.2°
SBFCATNAUCAV0.1°0.2°
CATSBFCBEH22180.0°179.8°
SBFCATNASH2350.2°179.7°
CAWCAVCBENAU179.9°179.9°
CAVCAWCAXCBD179.9°179.8°
CAVCAWCAXCAY180.0°180.0°
CAVCAWCBDCBC180.0°179.7°
CAWCAVCBESBF179.9°180.0°
CAVCAWCAXH150.0°0.1°
CAVCAWCBDH210.0°0.0°
CAWCAVCBEH220.1°0.0°
CBECAVCAWCAX135.8°180.0°
CBECAVCAWCBD44.3°0.3°
CAVCBESBFH22180.0°180.0°
NAUCAVCAWCAX44.1°0.0°
NAUCAVCAWCBD135.8°179.8°
NAUCAVCBESBF0.0°0.1°
NAUCAVCBEH22180.0°179.9°
CAWCAXCAYH15180.0°179.9°
CAWCAXCAYCAZ0.0°0.1°
CAXCAWCBDCBC0.2°0.5°
CAWCAXCAYH16180.0°180.0°
CAXCAWCBDH21179.9°179.8°
CBDCAWCAXCAY0.1°0.2°
CAWCBDCBCCAZ0.1°0.5°
CAWCBDCBCH21180.0°179.7°
CBDCAWCAXH15179.9°179.7°
CAWCBDCBCH20179.9°179.7°
CAXCAYCAZH16180.0°179.9°
CAXCAYCAZCBC0.0°0.0°
CAXCAYCAZOBA179.9°179.9°
CAYCAZCBCOBA179.9°180.0°
CAYCAZOBACBB169.0°180.0°
CAYCAZCBCCBD0.0°0.3°
CAZCAYCAXH15180.0°180.0°
CAYCAZCBCH20180.0°180.0°
CBCCAZOBACBB11.0°0.0°
CAZCBCCBDH20180.0°179.8°
CBCCAZCAYH16180.0°180.0°
CAZCBCCBDH21179.9°179.7°
OBACAZCBCCBD179.9°179.7°
OBACAZCAYH160.0°0.0°
CAZOBACBBH17180.0°60.0°
CAZOBACBBH1860.0°60.0°
CAZOBACBBH1960.0°180.0°
OBACAZCBCH200.1°0.0°
OBACBBH17H18120.0°120.0°
OBACBBH17H19120.0°120.0°
OBACBBH18H19120.0°120.0°
H1CBCAEH335.5°61.3°
H1CBCAEH483.7°58.6°
H1CBCAH262.2°54.8°
H2CBCAEH3153.5°178.6°
H2CBCAEH434.3°61.4°
H2CBCAH26115.8°174.8°
H3CAECAFH562.7°61.2°
H3CAECAFH6177.1°178.6°
H4CAECAFH556.5°58.7°
H4CAECAFH663.7°61.4°
H5CAFCAGH759.7°65.6°
H5CAFCAGH2759.3°54.8°
H6CAFCAGH760.6°54.5°
H6CAFCAGH27179.6°174.9°
H8CAKCALH90.5°0.1°
H10CANH11H12120.0°120.0°
H13CAOCAPH140.4°0.0°
H15CAXCAYH160.0°0.1°
H17CBBH18H19120.0°120.1°
H20CBCCBDH210.1°0.0°

223532

PDB entries from 2024-08-07

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