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I4I

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
COdoub1.21Å1.24Å
CCAsing1.51Å1.40Å
CNAVsing1.36Å1.40Å
NCAsing1.46Å1.48Å
NCAYsing1.35Å1.35Å
CACBsing1.53Å1.57Å
CBOG1sing1.45Å1.46Å
CBCG2sing1.53Å1.53Å
CAACBFsing1.53Å1.53Å
CABCBFsing1.53Å1.54Å
CADCBHsing1.52Å1.54Å
OAECAYdoub1.22Å1.23Å
OAGCBAdoub1.20Å1.23Å
OAHCBBdoub1.21Å1.23Å
OAICBDsing1.36Å1.36Å
OAJCBIsing1.44Å1.44Å
CAKCAMdoub1.38Å1.39ÅAromatic
CAKCAOsing1.39Å1.39ÅAromatic
CALCANdoub1.39Å1.39ÅAromatic
CALCAPsing1.38Å1.39ÅAromatic
CAMNASsing1.32Å1.41ÅAromatic
CANNATsing1.31Å1.41ÅAromatic
CAOCBCdoub1.39Å1.40ÅAromatic
CAPCBDdoub1.39Å1.39ÅAromatic
CAQNASdoub1.32Å1.41ÅAromatic
CAQCBCsing1.38Å1.40ÅAromatic
CARCBCsing1.51Å1.40Å
CARCBJsing1.53Å1.55Å
NATCBEdoub1.33Å1.35ÅAromatic
NAVCBJsing1.46Å1.48Å
OAXCBAsing1.34Å1.37Å
OAXCBLsing1.44Å1.45Å
CAYCBEsing1.48Å1.39Å
CBACBHsing1.51Å1.41Å
CBBCBLsing1.51Å1.42Å
CBBOG1sing1.34Å1.37Å
CBDCBEsing1.40Å1.40ÅAromatic
CBFCBLsing1.53Å1.57Å
CBHCBIsing1.51Å1.56Å
CBICBJsing1.51Å1.55Å
NHNsing0.97Å1.00Å
CAHAsing1.09Å1.10Å
CBHBsing1.09Å1.10Å
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CAAHAABsing1.09Å1.10Å
CABHABsing1.09Å1.10Å
CABHABAsing1.09Å1.10Å
CABHABBsing1.09Å1.10Å
CADHADsing1.09Å1.10Å
CADHADAsing1.09Å1.10Å
CADHADBsing1.09Å1.10Å
OAIHOAIsing0.97Å0.95Å
OAJHOAJsing0.97Å0.95Å
CAKHAKsing1.08Å1.08Å
CALHALsing1.08Å1.08Å
CAMHAMsing1.08Å1.08Å
CANHANsing1.08Å1.08Å
CAOHAOsing1.08Å1.08Å
CAPHAPsing1.08Å1.08Å
CAQHAQsing1.08Å1.08Å
CARHARsing1.09Å1.10Å
CARHARAsing1.09Å1.10Å
NAVHNAVsing0.99Å1.00Å
CBFHBFsing1.09Å1.10Å
CBHHBHsing1.11Å1.10Å
CBIHBIsing1.10Å1.10Å
CBJHBJsing1.13Å1.10Å
CBLHBLsing1.10Å1.10Å
CG2HG2sing1.09Å1.10Å
CG2HG2Asing1.09Å1.10Å
CG2HG2Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OCCA120.8°118.6°
OCNAV120.6°124.1°
CACNAV118.5°117.3°
CCAN104.2°108.8°
CCACB112.0°110.1°
CCAHA108.8°108.6°
CNAVCBJ121.9°121.9°
CNAVHNAV119.1°118.2°
CANCAY124.0°120.0°
NCACB117.0°110.0°
CANHN118.0°120.0°
NCAHA107.8°108.9°
NCAYOAE124.1°120.0°
NCAYCBE116.3°120.0°
CAYNHN118.0°120.0°
CACBOG1110.3°109.8°
CACBCG2112.2°109.8°
CBCAHA106.7°110.3°
CACBHB108.0°109.4°
OG1CBCG2108.4°109.8°
CBOG1CBB117.2°116.8°
OG1CBHB109.4°109.3°
CG2CBHB108.5°108.8°
CBCG2HG2109.5°109.5°
CBCG2HG2A109.5°109.5°
CBCG2HG2B109.5°109.4°
CAACBFCAB108.5°109.5°
CAACBFCBL112.1°109.4°
CBFCAAHAA109.5°109.5°
CBFCAAHAAA109.5°109.5°
CBFCAAHAAB109.5°109.5°
CAACBFHBF107.6°109.5°
CABCBFCBL113.7°109.5°
CBFCABHAB109.5°109.5°
CBFCABHABA109.5°109.5°
CBFCABHABB109.5°109.5°
CABCBFHBF107.5°109.5°
CADCBHCBA109.6°110.4°
CADCBHCBI108.5°112.4°
CBHCADHAD109.5°109.5°
CBHCADHADA109.5°109.5°
CBHCADHADB109.4°109.5°
CADCBHHBH107.6°107.3°
OAECAYCBE119.5°120.0°
OAGCBAOAX123.6°121.8°
OAGCBACBH121.5°119.9°
OAHCBBCBL119.9°119.8°
OAHCBBOG1124.1°119.6°
OAICBDCAP120.8°120.6°
OAICBDCBE118.0°120.5°
CBDOAIHOAI109.5°114.0°
OAJCBICBH110.9°108.7°
OAJCBICBJ109.8°108.9°
CBIOAJHOAJ109.5°114.0°
OAJCBIHBI108.4°106.2°
CAMCAKCAO120.5°119.2°
CAKCAMNAS119.4°120.8°
CAMCAKHAK119.7°120.4°
CAKCAMHAM120.3°119.6°
CAKCAOCBC120.6°118.4°
CAOCAKHAK119.8°120.4°
CAKCAOHAO119.7°120.8°
CANCALCAP119.6°119.4°
CALCANNAT119.5°121.1°
CANCALHAL120.2°120.2°
CALCANHAN120.3°119.5°
CALCAPCBD119.3°118.5°
CAPCALHAL120.2°120.3°
CALCAPHAP120.4°120.8°
CAMNASCAQ120.0°121.7°
NASCAMHAM120.3°119.6°
CANNATCBE121.5°121.7°
NATCANHAN120.2°119.5°
CAOCBCCAQ119.6°119.2°
CAOCBCCAR120.1°120.4°
CBCCAOHAO119.7°120.8°
CAPCBDCBE121.2°118.9°
CBDCAPHAP120.4°120.8°
NASCAQCBC119.9°120.8°
NASCAQHAQ120.0°119.6°
CAQCBCCAR120.3°120.4°
CBCCAQHAQ120.1°119.6°
CBCCARCBJ112.1°109.5°
CBCCARHAR108.8°109.5°
CBCCARHARA108.8°109.5°
CARCBJNAV110.4°113.1°
CARCBJCBI109.7°112.3°
CBJCARHAR108.8°109.5°
CBJCARHARA108.8°109.4°
CARCBJHBJ108.1°105.5°
NATCBECAY117.4°119.8°
NATCBECBD118.9°120.4°
NAVCBJCBI111.5°114.0°
CBJNAVHNAV119.0°119.9°
NAVCBJHBJ108.9°105.5°
CBAOAXCBL113.1°122.0°
OAXCBACBH114.9°118.2°
OAXCBLCBB111.6°110.0°
OAXCBLCBF111.1°111.8°
OAXCBLHBL106.5°108.2°
CAYCBECBD123.5°119.8°
CBACBHCBI114.4°112.7°
CBACBHHBH109.2°106.1°
CBLCBBOG1116.0°120.5°
CBBCBLCBF114.7°110.5°
CBBCBLHBL106.9°107.6°
CBLCBFHBF107.2°109.4°
CBFCBLHBL105.3°108.6°
CBHCBICBJ113.8°116.3°
CBICBHHBH107.3°107.6°
CBHCBIHBI106.8°108.1°
CBJCBIHBI107.0°108.3°
CBICBJHBJ108.1°105.4°
HAACAAHAAA109.5°109.4°
HAACAAHAAB109.5°109.4°
HAAACAAHAAB109.4°109.5°
HABCABHABA109.4°109.4°
HABCABHABB109.5°109.5°
HABACABHABB109.5°109.4°
HADCADHADA109.5°109.5°
HADCADHADB109.5°109.4°
HADACADHADB109.5°109.4°
HARCARHARA109.5°109.5°
HG2CG2HG2A109.5°109.5°
HG2CG2HG2B109.5°109.4°
HG2ACG2HG2B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OCCANAV175.8°178.2°
OCCAN54.9°146.9°
OCCACB72.5°92.5°
OCNAVCBJ1.8°38.8°
OCCAHA169.7°28.4°
OCNAVHNAV178.1°141.7°
CCANCB124.3°120.7°
CCANHA115.5°118.3°
CCANCAY119.0°149.5°
CCACBHA119.0°119.9°
CCACBOG133.7°8.6°
CCACBCG287.3°129.4°
CACNAVCBJ177.6°139.3°
CCANHN61.0°30.5°
CCACBHB153.2°111.3°
CACNAVHNAV2.4°40.2°
NAVCCAN120.8°31.4°
NAVCCACB111.7°89.3°
CNAVCBJCAR109.1°21.0°
CNAVCBJHNAV180.0°179.5°
CNAVCBJCBI128.7°108.9°
NAVCCAHA6.0°149.9°
CNAVCBJHBJ9.5°135.9°
CANCAYHN180.0°180.0°
NCACBHA120.8°120.2°
NCACBOG1153.9°111.3°
NCACBCG232.9°9.5°
CANCAYOAE4.1°4.8°
CANCAYCBE171.9°175.2°
NCACBHB86.6°128.8°
CAYNCACB116.7°89.8°
NCAYOAECBE175.8°180.0°
NCAYCBENAT176.2°5.2°
NCAYCBECBD0.6°174.8°
CAYNCAHA3.6°31.2°
CACBOG1CG2123.3°120.8°
CACBOG1HB118.6°120.0°
CACBCG2HB119.3°119.7°
CACBOG1CBB118.5°94.2°
CBCANHN63.3°90.1°
CACBCG2HG2180.0°61.4°
CACBCG2HG2A60.0°178.6°
CACBCG2HG2B60.0°58.5°
OG1CBCG2HB118.7°119.5°
CBOG1CBBOAH13.7°6.6°
CBOG1CBBCBL163.8°172.4°
OG1CBCAHA85.3°128.5°
OG1CBCG2HG257.9°59.4°
OG1CBCG2HG2A177.9°60.7°
OG1CBCG2HG2B62.1°179.3°
CG2CBOG1CBB118.3°145.0°
CG2CBCAHA153.7°110.8°
CBCG2HG2HG2A120.0°120.0°
CBCG2HG2HG2B120.0°119.9°
CBCG2HG2AHG2B120.0°120.0°
CAACBFCABCBL125.5°120.0°
CAACBFCABHBF116.1°120.0°
CAACBFCBLOAX28.3°60.0°
CAACBFCBLCBB99.5°177.2°
CAACBFCBLHBF117.8°119.9°
CBFCAAHAAHAAA120.0°120.1°
CBFCAAHAAHAAB120.0°120.0°
CBFCAAHAAAHAAB120.0°120.0°
CAACBFCABHAB180.0°60.0°
CAACBFCABHABA60.0°180.0°
CAACBFCABHABB60.0°60.0°
CAACBFCBLHBL143.3°59.3°
CABCBFCBLOAX151.9°180.0°
CABCBFCBLCBB24.1°57.2°
CABCBFCBLHBF118.6°120.0°
CABCBFCAAHAA180.0°60.0°
CABCBFCAAHAAA60.0°180.0°
CABCBFCAAHAAB60.0°60.0°
CBFCABHABHABA120.0°120.0°
CBFCABHABHABB120.0°120.0°
CBFCABHABAHABB120.0°120.0°
CABCBFCBLHBL93.2°60.7°
CADCBHCBAOAG97.0°146.4°
CADCBHCBIOAJ75.6°54.4°
CADCBHCBAOAX84.4°34.4°
CADCBHCBACBI122.1°126.5°
CADCBHCBAHBH117.7°115.9°
CADCBHCBIHBH116.0°117.9°
CADCBHCBICBJ160.1°68.9°
CBHCADHADHADA120.0°120.1°
CBHCADHADHADB120.0°120.0°
CBHCADHADAHADB120.0°120.0°
CADCBHCBIHBI42.3°169.2°
OAECAYCBENAT0.1°174.8°
OAECAYCBECBD175.5°5.2°
OAECAYNHN175.9°175.3°
OAGCBAOAXCBH178.5°179.2°
OAGCBAOAXCBL0.5°8.5°
OAGCBACBHCBI25.1°19.8°
OAGCBACBHHBH145.3°97.7°
OAHCBBCBLOAX172.4°101.8°
OAHCBBCBLOG1177.6°179.0°
OAHCBBCBLCBF60.1°134.3°
OAHCBBCBLHBL56.2°15.8°
OAICBDCAPCAL179.8°180.0°
OAICBDCAPCBE179.0°180.0°
OAICBDCBENAT178.6°180.0°
OAICBDCBECAY3.1°0.0°
OAICBDCAPHAP0.2°0.0°
OAJCBICBJCAR60.6°37.3°
OAJCBICBJNAV62.1°167.7°
OAJCBICBHCBA47.1°179.8°
OAJCBICBHCBJ124.3°123.2°
OAJCBICBHHBI117.9°114.8°
OAJCBICBJHBI117.4°115.0°
OAJCBICBHHBH168.4°63.5°
OAJCBICBJHBJ178.2°77.1°
CAMCAKCAOHAK180.0°179.8°
CAKCAMNASHAM180.0°180.0°
CAMCAKCAOCBC0.8°0.0°
CAKCAMNASCAQ0.5°0.0°
CAMCAKCAOHAO179.3°180.0°
CAOCAKCAMNAS0.5°0.0°
CAKCAOCBCHAO180.0°180.0°
CAKCAOCBCCAQ1.0°0.0°
CAKCAOCBCCAR179.4°180.0°
CAOCAKCAMHAM179.5°180.0°
CANCALCAPHAL180.0°179.8°
CALCANNATHAN180.0°179.9°
CANCALCAPCBD0.0°0.0°
CALCANNATCBE1.1°0.1°
CANCALCAPHAP180.0°179.9°
CAPCALCANNAT0.1°0.1°
CALCAPCBDHAP180.0°180.0°
CALCAPCBDCBE1.2°0.0°
CAPCALCANHAN179.9°180.0°
CAMNASCAQCBC0.7°0.0°
NASCAMCAKHAK179.5°179.7°
CAMNASCAQHAQ179.3°180.0°
CANNATCBECAY178.1°180.0°
CANNATCBECBD2.3°0.0°
NATCANCALHAL179.9°179.7°
CAOCBCCAQNAS0.9°0.0°
CAOCBCCAQCAR179.6°180.0°
CAOCBCCARCBJ95.5°97.2°
CBCCAOCAKHAK179.3°179.7°
CAOCBCCAQHAQ179.1°180.0°
CAOCBCCARHAR144.1°142.8°
CAOCBCCARHARA24.8°22.8°
CAPCBDCBENAT2.3°0.0°
CAPCBDCBECAY177.8°180.0°
CAPCBDOAIHOAI180.0°84.9°
CBDCAPCALHAL180.0°179.8°
NASCAQCBCHAQ180.0°179.9°
NASCAQCBCCAR179.5°180.0°
CAQNASCAMHAM179.6°180.0°
CAQCBCCARCBJ84.9°82.8°
CAQCBCCAOHAO179.1°180.0°
CAQCBCCARHAR35.5°37.2°
CAQCBCCARHARA154.8°157.2°
CBCCARCBJHAR120.4°120.0°
CBCCARCBJHARA120.4°120.0°
CBCCARCBJNAV42.3°66.4°
CBCCARCBJCBI165.6°162.8°
CARCBCCAOHAO0.6°0.0°
CARCBCCAQHAQ0.5°0.1°
CBCCARHARHARA118.8°120.0°
CBCCARCBJHBJ76.8°48.4°
CARCBJNAVCBI122.3°130.0°
CARCBJNAVHBJ118.5°114.9°
CARCBJCBICBH174.5°85.8°
CARCBJCBIHBJ117.6°114.4°
CBJCARHARHARA118.8°120.0°
CARCBJNAVHNAV70.9°158.5°
CARCBJCBIHBI56.8°152.3°
NATCBECAYCBD175.6°180.0°
CBENATCANHAN178.9°180.0°
NAVCBJCBICBH62.8°44.5°
NAVCBJCBIHBJ119.7°115.2°
NAVCBJCARHAR162.7°173.6°
NAVCBJCARHARA78.1°53.6°
NAVCBJCBIHBI179.5°77.3°
CBAOAXCBLCBB86.2°63.7°
CBAOAXCBLCBF144.4°59.4°
OAXCBACBHCBI153.5°161.0°
OAXCBACBHHBH33.2°81.5°
CBAOAXCBLHBL30.2°179.0°
CBLOAXCBACBH179.0°172.3°
OAXCBLCBBCBF127.5°123.9°
OAXCBLCBBHBL116.2°117.6°
OAXCBLCBBOG15.2°77.2°
OAXCBLCBFHBL114.9°119.3°
OAXCBLCBFHBF89.5°60.0°
CBECAYNHN8.1°4.7°
CBACBHCBIHBH121.3°116.7°
CBACBHCBICBJ77.2°56.6°
CBACBHCADHAD180.0°60.0°
CBACBHCADHADA60.0°179.9°
CBACBHCADHADB60.0°59.9°
CBACBHCBIHBI165.0°65.4°
CBBCBLCBFHBL117.3°117.8°
CBBCBLCBFHBF142.7°62.9°
OG1CBBCBLCBF122.3°46.7°
CBBOG1CBHB0.1°25.7°
OG1CBBCBLHBL121.4°165.2°
CBECBDOAIHOAI1.0°95.1°
CBECBDCAPHAP178.8°180.0°
CBLCBFCAAHAA53.6°180.0°
CBLCBFCAAHAAA173.6°60.0°
CBLCBFCAAHAAB66.4°60.0°
CBLCBFCABHAB54.5°60.0°
CBLCBFCABHABA65.5°60.0°
CBLCBFCABHABB174.6°180.0°
CBHCBICBJHBI117.7°121.9°
CBICBHCADHAD54.4°173.3°
CBICBHCADHADA65.6°53.2°
CBICBHCADHADB174.5°66.8°
CBHCBIOAJHOAJ32.8°60.0°
CBHCBICBJHBJ56.9°159.8°
CBJCBIOAJHOAJ93.8°172.5°
CBICBJCARHAR74.0°42.8°
CBICBJCARHARA45.2°77.2°
CBICBJNAVHNAV51.3°71.5°
CBJCBICBHHBH44.1°173.2°
HNNCAHA176.4°148.8°
HACACBHB34.2°8.6°
HBCBCG2HG260.7°178.9°
HBCBCG2HG2A59.3°58.9°
HBCBCG2HG2B179.3°61.2°
HAACAAHAAAHAAB120.0°119.9°
HAACAACBFHBF64.0°60.1°
HAAACAACBFHBF56.0°59.9°
HAABCAACBFHBF176.0°180.0°
HABCABHABAHABB120.0°120.0°
HABCABCBFHBF63.9°180.0°
HABACABCBFHBF176.1°60.0°
HABBCABCBFHBF56.1°60.0°
HADCADHADAHADB120.0°119.9°
HADCADCBHHBH61.4°55.2°
HADACADCBHHBH178.6°64.9°
HADBCADCBHHBH58.6°175.1°
HOAJOAJCBIHBI149.8°56.1°
HAKCAKCAMHAM0.5°0.2°
HAKCAKCAOHAO0.7°0.2°
HALCALCANHAN0.1°0.2°
HALCALCAPHAP0.0°0.2°
HARCARCBJHBJ43.6°71.6°
HARACARCBJHBJ162.8°168.4°
HNAVNAVCBJHBJ170.5°43.6°
HBFCBFCBLHBL25.4°179.3°
HBHCBHCBIHBI73.7°51.3°
HBICBICBJHBJ60.8°37.9°
HG2CG2HG2AHG2B120.0°120.0°

221371

PDB entries from 2024-06-19

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