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04A

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAACBBdoub1.21Å1.24Å
CBCOABdoub1.21Å1.23Å
CAFCACdoub1.38Å1.40ÅAromatic
CACCAEsing1.38Å1.40ÅAromatic
CACHACsing1.08Å1.08Å
CAGCADdoub1.38Å1.41ÅAromatic
CAHCADsing1.38Å1.40ÅAromatic
CADHADsing1.08Å1.08Å
CAECAIdoub1.38Å1.39ÅAromatic
CAEHAEsing1.08Å1.08Å
CAFCAJsing1.38Å1.39ÅAromatic
CAFHAFsing1.08Å1.08Å
CAKCAGsing1.38Å1.41ÅAromatic
CAGHAGsing1.08Å1.08Å
CALCAHdoub1.38Å1.41ÅAromatic
CAHHAHsing1.08Å1.08Å
CBDCAIsing1.38Å1.39ÅAromatic
CAIHAIsing1.08Å1.08Å
CAJCBDdoub1.38Å1.40ÅAromatic
CAJHAJsing1.08Å1.08Å
CBECAKdoub1.38Å1.41ÅAromatic
CAKHAKsing1.08Å1.08Å
CBECALsing1.38Å1.41ÅAromatic
CALHALsing1.08Å1.08Å
CAOCAMsing1.53Å1.49Å
CAMSAYsing1.81Å1.81Å
CAMHAMsing1.09Å1.10Å
CAMHAMAsing1.09Å1.10Å
SAYCANsing1.81Å1.82Å
CAPCANsing1.53Å1.52Å
CANHANsing1.09Å1.10Å
CANHANAsing1.09Å1.10Å
CAOCBFsing1.51Å1.53Å
CAOHAOsing1.09Å1.10Å
CAOHAOAsing1.09Å1.10Å
CBGCAPsing1.51Å1.54Å
CAPHAPsing1.09Å1.10Å
CAPHAPAsing1.09Å1.10Å
CBBCAQsing1.51Å1.53Å
CBDCAQsing1.51Å1.36Å
CAQHAQsing1.09Å1.10Å
CAQHAQAsing1.09Å1.10Å
CARCBEsing1.51Å1.44Å
CARCBCsing1.51Å1.56Å
CARHARsing1.09Å1.10Å
CARHARAsing1.09Å1.10Å
CBFNASdoub1.29Å1.38ÅAromatic
NASNAUsing1.26Å1.34ÅAromatic
NAVNATsing1.26Å1.39ÅAromatic
NATCBGdoub1.30Å1.36ÅAromatic
CBHNAUdoub1.30Å1.35ÅAromatic
NAVCBIdoub1.30Å1.35ÅAromatic
CBBNAWsing1.35Å1.35Å
CBHNAWsing1.39Å1.33Å
NAWHNAWsing0.97Å1.00Å
NAXCBIsing1.39Å1.36Å
NAXCBCsing1.35Å1.35Å
NAXHNAXsing0.97Å1.00Å
SAZCBFsing1.76Å1.63ÅAromatic
SAZCBHsing1.71Å1.76ÅAromatic
CBISBAsing1.71Å1.83ÅAromatic
CBGSBAsing1.76Å1.68ÅAromatic
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAACBBCAQ121.8°120.0°
OAACBBNAW126.3°120.0°
OABCBCCAR120.1°120.0°
OABCBCNAX122.8°120.0°
CAFCACCAE120.6°120.0°
CAFCACHAC119.7°120.0°
CACCAFCAJ119.2°120.0°
CACCAFHAF120.4°120.0°
CAECACHAC119.7°120.0°
CACCAECAI120.3°120.0°
CACCAEHAE119.9°120.0°
CAGCADCAH118.2°120.0°
CAGCADHAD120.9°120.0°
CADCAGCAK121.9°120.0°
CADCAGHAG119.0°120.0°
CAHCADHAD120.9°120.0°
CADCAHCAL119.9°120.0°
CADCAHHAH120.1°120.0°
CAICAEHAE119.9°120.0°
CAECAICBD118.6°120.0°
CAECAIHAI120.7°119.9°
CAJCAFHAF120.4°120.0°
CAFCAJCBD119.5°120.0°
CAFCAJHAJ120.3°119.9°
CAKCAGHAG119.1°120.0°
CAGCAKCBE120.7°120.0°
CAGCAKHAK119.7°120.0°
CALCAHHAH120.0°120.0°
CAHCALCBE122.8°120.0°
CAHCALHAL118.6°120.0°
CBDCAIHAI120.7°120.0°
CAICBDCAJ121.8°120.0°
CAICBDCAQ119.4°120.0°
CBDCAJHAJ120.3°120.0°
CAJCBDCAQ118.8°120.0°
CBECAKHAK119.6°120.0°
CAKCBECAL116.6°120.0°
CAKCBECAR120.9°120.0°
CBECALHAL118.6°120.0°
CALCBECAR122.5°120.0°
CAOCAMSAY113.2°109.5°
CAOCAMHAM108.5°109.5°
CAOCAMHAMA108.6°109.5°
CAMCAOCBF113.0°109.5°
CAMCAOHAO108.6°109.5°
CAMCAOHAOA108.6°109.5°
SAYCAMHAM108.5°109.5°
SAYCAMHAMA108.5°109.5°
CAMSAYCAN94.3°103.0°
HAMCAMHAMA109.5°109.5°
SAYCANCAP112.4°109.5°
SAYCANHAN108.7°109.5°
SAYCANHANA108.8°109.5°
CAPCANHAN108.7°109.5°
CAPCANHANA108.7°109.4°
CANCAPCBG108.6°109.5°
CANCAPHAP109.7°109.4°
CANCAPHAPA109.7°109.5°
HANCANHANA109.4°109.4°
CBFCAOHAO108.6°109.5°
CBFCAOHAOA108.6°109.5°
CAOCBFNAS128.5°126.2°
CAOCBFSAZ119.2°126.1°
HAOCAOHAOA109.4°109.5°
CBGCAPHAP109.7°109.5°
CBGCAPHAPA109.7°109.5°
CAPCBGNAT124.6°126.1°
CAPCBGSBA124.2°126.2°
HAPCAPHAPA109.5°109.5°
CBBCAQCBD113.4°109.5°
CBBCAQHAQ108.5°109.4°
CBBCAQHAQA108.5°109.4°
CAQCBBNAW111.7°120.0°
CBDCAQHAQ108.5°109.5°
CBDCAQHAQA108.5°109.5°
HAQCAQHAQA109.5°109.5°
CBECARCBC111.2°109.5°
CBECARHAR109.0°109.5°
CBECARHARA109.0°109.5°
CBCCARHAR109.0°109.5°
CBCCARHARA109.1°109.4°
CARCBCNAX117.1°120.1°
HARCARHARA109.5°109.5°
CBFNASNAU114.7°116.6°
NASCBFSAZ112.3°107.7°
NASNAUCBH111.3°117.6°
NAVNATCBG115.1°116.5°
NATNAVCBI114.5°117.7°
NATCBGSBA111.2°107.7°
NAUCBHNAW124.0°125.6°
NAUCBHSAZ111.1°108.7°
NAVCBINAX122.7°125.7°
NAVCBISBA107.2°108.7°
CBBNAWCBH122.1°120.0°
CBBNAWHNAW119.0°120.0°
CBHNAWHNAW119.0°120.0°
NAWCBHSAZ124.7°125.6°
CBINAXCBC120.3°120.0°
CBINAXHNAX119.8°120.0°
NAXCBISBA130.0°125.7°
CBCNAXHNAX119.9°120.0°
CBFSAZCBH90.6°89.3°
CBISBACBG92.0°89.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAACBBCAQNAW175.7°180.0°
OAACBBCAQCBD31.7°0.0°
OAACBBCAQHAQ152.3°120.0°
OAACBBCAQHAQA88.9°120.0°
OAACBBNAWCBH13.6°0.0°
OAACBBNAWHNAW166.4°179.9°
OABCBCCARCBE37.8°0.0°
OABCBCCARNAX179.5°179.9°
OABCBCCARHAR158.0°119.9°
OABCBCCARHARA82.4°120.1°
OABCBCNAXCBI4.8°0.1°
OABCBCNAXHNAX175.2°180.0°
CAFCACCAEHAC180.0°179.7°
CAFCACCAECAI0.1°0.2°
CAFCACCAEHAE179.9°179.8°
CACCAFCAJHAF180.0°179.9°
CACCAFCAJCBD0.0°0.6°
CACCAFCAJHAJ180.0°180.0°
CACCAECAIHAE180.0°180.0°
CAECACCAFCAJ0.5°0.0°
CAECACCAFHAF179.5°179.9°
CACCAECAICBD0.9°0.0°
CACCAECAIHAI179.1°180.0°
HACCACCAECAI179.9°180.0°
HACCACCAEHAE0.1°0.0°
HACCACCAFCAJ179.5°179.7°
HACCACCAFHAF0.6°0.2°
CAGCADCAHHAD180.0°179.8°
CADCAGCAKHAG180.0°179.9°
CAGCADCAHCAL0.6°0.3°
CAGCADCAHHAH179.5°179.7°
CADCAGCAKCBE0.0°0.1°
CADCAGCAKHAK180.0°180.0°
CAHCADCAGCAK0.3°0.3°
CAHCADCAGHAG179.7°179.8°
CADCAHCALHAH180.0°180.0°
CADCAHCALCBE0.6°0.0°
CADCAHCALHAL179.4°180.0°
HADCADCAGCAK179.7°179.9°
HADCADCAGHAG0.3°0.0°
HADCADCAHCAL179.4°179.9°
HADCADCAHHAH0.5°0.1°
CAECAICBDHAI180.0°179.9°
CAECAICBDCAJ1.5°0.6°
CAECAICBDCAQ179.9°179.7°
HAECAECAICBD179.1°180.0°
HAECAECAIHAI0.9°0.0°
CAFCAJCBDCAI1.0°0.9°
CAFCAJCBDHAJ180.0°179.4°
CAFCAJCBDCAQ179.6°180.0°
HAFCAFCAJCBD180.0°179.5°
HAFCAFCAJHAJ0.0°0.1°
CAGCAKCBEHAK180.0°180.0°
CAGCAKCBECAL0.0°0.2°
CAGCAKCBECAR179.1°180.0°
HAGCAGCAKCBE180.0°179.9°
HAGCAGCAKHAK0.0°0.1°
CAHCALCBECAK0.3°0.2°
CAHCALCBEHAL180.0°180.0°
CAHCALCBECAR178.8°180.0°
HAHCAHCALCBE179.4°180.0°
HAHCAHCALHAL0.5°0.0°
CAICBDCAJCAQ178.6°179.2°
CAICBDCAJHAJ179.0°179.7°
CAICBDCAQCBB76.2°90.9°
CAICBDCAQHAQ44.4°149.2°
CAICBDCAQHAQA163.2°29.1°
HAICAICBDCAJ178.5°179.5°
HAICAICBDCAQ0.1°0.3°
CAJCBDCAQCBB105.1°90.0°
CAJCBDCAQHAQ134.3°30.0°
CAJCBDCAQHAQA15.5°150.0°
HAJCAJCBDCAQ0.4°0.6°
CAKCBECALCAR179.1°179.8°
CAKCBECALHAL179.7°179.8°
CAKCBECARCBC136.2°90.0°
CAKCBECARHAR103.6°29.9°
CAKCBECARHARA15.9°150.0°
HAKCAKCBECAL180.0°179.8°
HAKCAKCBECAR0.9°0.0°
CALCBECARCBC42.9°89.8°
CALCBECARHAR77.4°150.3°
CALCBECARHARA163.2°30.2°
HALCALCBECAR1.2°0.0°
CAOCAMSAYHAM120.5°120.0°
CAOCAMSAYHAMA120.6°120.0°
CAOCAMHAMHAMA118.3°120.0°
CAOCAMSAYCAN134.7°180.0°
CAMCAOCBFHAO120.5°120.0°
CAMCAOCBFHAOA120.6°120.0°
CAMCAOHAOHAOA118.4°120.0°
CAMCAOCBFNAS45.1°90.0°
CAMCAOCBFSAZ135.0°90.0°
SAYCAMHAMHAMA118.3°120.0°
CAMSAYCANCAP78.6°180.0°
CAMSAYCANHAN41.8°60.0°
CAMSAYCANHANA160.9°60.0°
SAYCAMCAOCBF45.0°180.0°
SAYCAMCAOHAO165.5°60.0°
SAYCAMCAOHAOA75.5°60.0°
HAMCAMSAYCAN104.7°60.0°
HAMCAMCAOCBF165.5°60.0°
HAMCAMCAOHAO73.9°60.0°
HAMCAMCAOHAOA45.0°180.0°
HAMACAMSAYCAN14.2°60.0°
HAMACAMCAOCBF75.5°60.0°
HAMACAMCAOHAO45.0°180.0°
HAMACAMCAOHAOA163.9°60.0°
SAYCANCAPHAN120.5°120.1°
SAYCANCAPHANA120.5°120.0°
SAYCANHANHANA118.7°120.0°
SAYCANCAPCBG50.0°180.0°
SAYCANCAPHAP69.9°60.0°
SAYCANCAPHAPA169.9°60.0°
CAPCANHANHANA118.6°119.9°
CANCAPCBGHAP119.9°119.9°
CANCAPCBGHAPA119.9°120.0°
CANCAPHAPHAPA120.4°120.0°
CANCAPCBGNAT101.8°89.9°
CANCAPCBGSBA77.2°90.0°
HANCANCAPCBG170.5°59.9°
HANCANCAPHAP50.6°60.0°
HANCANCAPHAPA69.6°180.0°
HANACANCAPCBG70.4°60.0°
HANACANCAPHAP169.7°179.9°
HANACANCAPHAPA49.4°60.1°
CBFCAOHAOHAOA118.4°120.0°
CAOCBFNASSAZ179.8°180.0°
CAOCBFNASNAU180.0°180.0°
CAOCBFSAZCBH179.9°180.0°
HAOCAOCBFNAS75.4°29.9°
HAOCAOCBFSAZ104.4°150.0°
HAOACAOCBFNAS165.7°149.9°
HAOACAOCBFSAZ14.5°30.0°
CBGCAPHAPHAPA120.4°120.0°
CAPCBGNATNAV179.7°180.0°
CAPCBGNATSBA179.1°179.9°
CAPCBGSBACBI179.5°180.0°
HAPCAPCBGNAT18.1°30.0°
HAPCAPCBGSBA163.0°150.1°
HAPACAPCBGNAT138.3°150.0°
HAPACAPCBGSBA42.7°30.0°
CBBCAQCBDHAQ120.6°120.0°
CBBCAQCBDHAQA120.6°120.0°
CBBCAQHAQHAQA118.2°119.9°
CAQCBBNAWCBH171.0°180.0°
CAQCBBNAWHNAW9.0°0.1°
CBDCAQHAQHAQA118.2°120.1°
CBDCAQCBBNAW143.9°180.0°
HAQCAQCBBNAW23.3°60.0°
HAQACAQCBBNAW95.5°60.0°
CBECARCBCHAR120.2°120.0°
CBECARCBCHARA120.2°120.0°
CBECARHARHARA119.2°120.0°
CBECARCBCNAX141.7°180.0°
CBCCARHARHARA119.2°120.0°
CARCBCNAXCBI174.7°180.0°
CARCBCNAXHNAX5.3°0.1°
HARCARCBCNAX21.5°60.0°
HARACARCBCNAX98.0°60.0°
CBFNASNAUCBH0.1°0.0°
NASCBFSAZCBH0.2°0.0°
NASNAUCBHNAW174.9°180.0°
NAUNASCBFSAZ0.2°0.0°
NASNAUCBHSAZ0.1°0.0°
NATNAVCBINAX178.5°179.9°
NATNAVCBISBA0.1°0.0°
NAVNATCBGSBA0.6°0.1°
CBGNATNAVCBI0.5°0.1°
NATCBGSBACBI0.5°0.1°
NAUCBHNAWCBB175.7°0.0°
NAUCBHNAWSAZ174.0°180.0°
NAUCBHNAWHNAW4.3°179.9°
NAUCBHSAZCBF0.2°0.0°
NAVCBINAXSBA177.9°179.9°
NAVCBINAXCBC162.5°0.0°
NAVCBINAXHNAX17.5°180.0°
NAVCBISBACBG0.2°0.1°
CBBNAWCBHHNAW180.0°179.9°
CBBNAWCBHSAZ1.6°180.0°
NAWCBHSAZCBF174.9°180.0°
HNAWNAWCBHSAZ178.4°0.1°
CBINAXCBCHNAX180.0°180.0°
NAXCBISBACBG178.0°180.0°
CBCNAXCBISBA15.4°179.9°
HNAXNAXCBISBA164.6°0.1°

226262

PDB entries from 2024-10-16

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