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6U3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CALOAXsing1.35Å1.28ÅAromatic
CALCAKdoub1.35Å1.34ÅAromatic
CAICAJdoub1.38Å1.39ÅAromatic
CAICAMsing1.38Å1.39ÅAromatic
CAJCANsing1.38Å1.40ÅAromatic
OAXCBCsing1.35Å1.34ÅAromatic
CAMCBBdoub1.39Å1.40ÅAromatic
CAKNATsing1.34Å1.33ÅAromatic
CANCBDdoub1.38Å1.40ÅAromatic
CBCNATdoub1.32Å1.32ÅAromatic
CBCCBEsing1.47Å1.34Å
CBBCBDsing1.39Å1.41ÅAromatic
CBBOAUsing1.36Å1.36Å
CBDCBKsing1.51Å1.42Å
SAYCBEsing1.75Å1.62ÅAromatic
SAYCBHsing1.71Å1.62ÅAromatic
CBECBAdoub1.34Å1.34ÅAromatic
OAUCAAsing1.43Å1.43Å
CASCBKsing1.53Å1.51Å
CASNBLsing1.46Å1.50Å
CBKOAWsing1.43Å1.44Å
OAWCBJsing1.43Å1.43Å
CBHNBLsing1.39Å1.34Å
CBHCBIdoub1.39Å1.36ÅAromatic
CBACBIsing1.40Å1.37ÅAromatic
CBACABsing1.51Å1.53Å
NBLCBGsing1.34Å1.37Å
CARCBJsing1.53Å1.51Å
CARCAPsing1.53Å1.53Å
CBICBFsing1.48Å1.36Å
CBJCAQsing1.53Å1.53Å
CBGOAHdoub1.22Å1.24Å
CBGNBMsing1.34Å1.36Å
CAPOAVsing1.43Å1.44Å
CBFNBMsing1.34Å1.35Å
CBFOAGdoub1.22Å1.24Å
CAQCAOsing1.53Å1.55Å
NBMCBNsing1.47Å1.52Å
OAVCAOsing1.43Å1.46Å
CBNCADsing1.53Å1.53Å
CBNCACsing1.53Å1.54Å
CBNCAZsing1.51Å1.56Å
CAZOAFdoub1.21Å1.23Å
CAZNAEsing1.35Å1.32Å
CALH1sing1.08Å1.08Å
CAKH2sing1.08Å1.08Å
CABH3sing1.09Å1.10Å
CABH4sing1.09Å1.10Å
CABH5sing1.09Å1.10Å
CADH6sing1.09Å1.10Å
CADH7sing1.09Å1.10Å
CADH8sing1.09Å1.10Å
CACH9sing1.09Å1.10Å
CACH10sing1.09Å1.10Å
CACH11sing1.09Å1.10Å
NAEH12sing0.97Å1.00Å
NAEH13sing0.97Å1.00Å
CASH14sing1.09Å1.10Å
CASH15sing1.09Å1.10Å
CBKH16sing1.09Å1.10Å
CBJH17sing1.09Å1.10Å
CAQH18sing1.09Å1.10Å
CAQH19sing1.09Å1.10Å
CAOH20sing1.09Å1.10Å
CAOH21sing1.09Å1.10Å
CAPH22sing1.09Å1.10Å
CAPH23sing1.09Å1.10Å
CARH24sing1.09Å1.10Å
CARH25sing1.09Å1.10Å
CANH26sing1.08Å1.08Å
CAJH27sing1.08Å1.08Å
CAIH28sing1.08Å1.08Å
CAMH29sing1.08Å1.08Å
CAAH30sing1.09Å1.10Å
CAAH31sing1.09Å1.10Å
CAAH32sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAXCALCAK108.5°107.4°
CALOAXCBC108.4°107.7°
OAXCALH1125.7°126.3°
CALCAKNAT108.2°107.9°
CAKCALH1125.8°126.3°
CALCAKH2125.9°126.0°
CAJCAICAM119.0°120.1°
CAICAJCAN120.3°120.1°
CAICAJH27119.9°120.0°
CAJCAIH28120.5°119.9°
CAICAMCBB120.2°119.9°
CAMCAIH28120.5°120.0°
CAICAMH29119.9°120.0°
CAJCANCBD122.0°120.0°
CAJCANH26119.0°120.0°
CANCAJH27119.9°120.0°
OAXCBCNAT108.1°108.5°
OAXCBCCBE124.0°125.8°
CAMCBBCBD121.7°119.9°
CAMCBBOAU120.3°120.0°
CBBCAMH29119.9°120.0°
CAKNATCBC106.7°108.6°
NATCAKH2125.9°126.1°
CANCBDCBB116.8°120.0°
CANCBDCBK120.3°120.0°
CBDCANH26119.0°120.0°
NATCBCCBE127.8°125.8°
CBCCBESAY122.2°124.9°
CBCCBECBA129.7°124.9°
CBDCBBOAU117.9°120.1°
CBBCBDCBK122.9°120.1°
CBBOAUCAA113.8°117.0°
CBDCBKCAS110.1°109.4°
CBDCBKOAW114.1°109.5°
CBDCBKH16109.5°109.4°
CBESAYCBH96.4°92.1°
SAYCBECBA108.1°110.2°
SAYCBHNBL128.3°130.4°
SAYCBHCBI109.6°110.5°
CBECBACBI114.8°114.3°
CBECBACAB122.4°122.9°
OAUCAAH30109.5°109.5°
OAUCAAH31109.5°109.4°
OAUCAAH32109.5°109.4°
CBKCASNBL115.0°109.5°
CASCBKOAW105.3°109.5°
CBKCASH14108.1°109.5°
CBKCASH15108.1°109.5°
CASCBKH16108.4°109.5°
CASNBLCBH116.8°119.4°
CASNBLCBG124.2°119.4°
NBLCASH14108.1°109.4°
NBLCASH15108.1°109.5°
CBKOAWCBJ117.4°114.0°
OAWCBKH16109.2°109.5°
OAWCBJCAR108.5°109.5°
OAWCBJCAQ110.6°109.6°
OAWCBJH17110.7°109.5°
NBLCBHCBI122.0°119.1°
CBHNBLCBG119.0°121.3°
CBHCBICBA111.0°112.9°
CBHCBICBF118.0°117.6°
CBICBACAB122.8°122.8°
CBACBICBF131.0°129.5°
CBACABH3109.5°109.4°
CBACABH4109.5°109.5°
CBACABH5109.5°109.4°
NBLCBGOAH120.1°119.0°
NBLCBGNBM120.2°122.0°
CBJCARCAP108.6°109.1°
CARCBJCAQ108.1°109.0°
CARCBJH17109.5°109.6°
CBJCARH24109.7°109.5°
CBJCARH25109.7°109.5°
CARCAPOAV108.8°109.4°
CARCAPH22109.6°109.4°
CARCAPH23109.7°109.5°
CAPCARH24109.7°109.5°
CAPCARH25109.7°109.5°
CBICBFNBM121.8°119.0°
CBICBFOAG121.7°120.5°
CBJCAQCAO110.4°109.2°
CAQCBJH17109.3°109.6°
CBJCAQH18109.2°109.5°
CBJCAQH19109.2°109.5°
OAHCBGNBM119.6°119.0°
CBGNBMCBF119.0°121.0°
CBGNBMCBN122.4°119.5°
CAPOAVCAO114.3°114.1°
OAVCAPH22109.6°109.5°
OAVCAPH23109.6°109.5°
NBMCBFOAG116.5°120.5°
CBFNBMCBN118.6°119.5°
CAQCAOOAV111.2°109.4°
CAOCAQH18109.2°109.6°
CAOCAQH19109.3°109.5°
CAQCAOH20109.0°109.4°
CAQCAOH21109.0°109.5°
NBMCBNCAD111.5°109.5°
NBMCBNCAC113.8°109.5°
NBMCBNCAZ107.1°109.5°
OAVCAOH20109.0°109.5°
OAVCAOH21109.0°109.5°
CADCBNCAC108.3°109.5°
CADCBNCAZ111.7°109.5°
CBNCADH6109.5°109.5°
CBNCADH7109.5°109.5°
CBNCADH8109.4°109.5°
CACCBNCAZ104.2°109.5°
CBNCACH9109.5°109.5°
CBNCACH10109.5°109.5°
CBNCACH11109.5°109.5°
CBNCAZOAF121.4°120.0°
CBNCAZNAE116.5°120.0°
OAFCAZNAE122.1°120.0°
CAZNAEH12120.0°119.9°
CAZNAEH13120.0°120.0°
H3CABH4109.4°109.5°
H3CABH5109.5°109.5°
H4CABH5109.5°109.5°
H6CADH7109.5°109.5°
H6CADH8109.5°109.5°
H7CADH8109.5°109.4°
H9CACH10109.5°109.5°
H9CACH11109.4°109.4°
H10CACH11109.5°109.5°
H12NAEH13120.0°120.0°
H14CASH15109.5°109.5°
H18CAQH19109.5°109.6°
H20CAOH21109.5°109.5°
H22CAPH23109.5°109.5°
H24CARH25109.5°109.6°
H30CAAH31109.5°109.5°
H30CAAH32109.4°109.5°
H31CAAH32109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAXCALCAKH1180.0°180.0°
OAXCALCAKNAT0.0°0.0°
CALOAXCBCNAT0.3°0.0°
CALOAXCBCCBE180.0°180.0°
OAXCALCAKH2180.0°180.0°
CAKCALOAXCBC0.2°0.0°
CALCAKNATH2180.0°180.0°
CALCAKNATCBC0.2°0.0°
CAJCAICAMH28180.0°180.0°
CAICAJCANH27180.0°180.0°
CAJCAICAMCBB1.1°0.3°
CAICAJCANCBD0.8°0.0°
CAICAJCANH26179.2°180.0°
CAJCAICAMH29178.9°180.0°
CAMCAICAJCAN0.9°0.0°
CAICAMCBBH29180.0°179.7°
CAICAMCBBCBD1.3°0.6°
CAICAMCBBOAU179.8°180.0°
CAMCAICAJH27179.1°180.0°
CAJCANCBDH26180.0°179.9°
CAJCANCBDCBB0.9°0.3°
CAJCANCBDCBK179.8°180.0°
CANCAJCAIH28179.1°180.0°
OAXCBCNATCAK0.3°0.0°
OAXCBCNATCBE179.7°180.0°
OAXCBCCBESAY4.6°0.3°
OAXCBCCBECBA174.2°180.0°
CBCOAXCALH1179.8°180.0°
CAMCBBCBDCAN1.1°0.6°
CAMCBBCBDOAU179.0°179.5°
CAMCBBCBDCBK180.0°179.7°
CAMCBBOAUCAA55.8°0.1°
CBBCAMCAIH28178.9°179.7°
CAKNATCBCCBE180.0°180.0°
NATCAKCALH1180.0°180.0°
CANCBDCBBCBK178.9°179.7°
CANCBDCBBOAU179.9°180.0°
CANCBDCBKCAS110.8°95.1°
CANCBDCBKOAW7.4°25.0°
CANCBDCBKH16130.1°145.0°
CBDCANCAJH27179.2°179.9°
NATCBCCBESAY175.1°179.7°
NATCBCCBECBA6.1°0.0°
CBCNATCAKH2179.8°180.0°
CBCCBESAYCBA179.0°179.7°
CBCCBESAYCBH179.7°180.0°
CBCCBECBACBI179.7°180.0°
CBCCBECBACAB0.1°0.0°
CBDCBBOAUCAA125.2°179.4°
CBBCBDCBKCAS70.3°85.3°
CBBCBDCBKOAW171.5°154.7°
CBBCBDCBKH1648.7°34.7°
CBBCBDCANH26179.1°179.8°
CBDCBBCAMH29178.8°179.7°
OAUCBBCBDCBK1.1°0.3°
OAUCBBCAMH290.2°0.2°
CBBOAUCAAH30180.0°60.0°
CBBOAUCAAH3160.0°60.1°
CBBOAUCAAH3260.0°180.0°
CBDCBKCASOAW123.5°120.0°
CBDCBKCASH16119.7°119.9°
CBDCBKCASNBL174.3°179.9°
CBDCBKOAWH16122.9°120.0°
CBDCBKOAWCBJ104.6°90.0°
CBDCBKCASH1464.9°60.0°
CBDCBKCASH1553.5°60.0°
CBKCBDCANH260.2°0.1°
CBESAYCBHNBL179.7°180.0°
CBESAYCBHCBI1.4°0.2°
SAYCBECBACBI0.8°0.3°
SAYCBECBACAB178.8°179.7°
CBHSAYCBECBA1.2°0.3°
SAYCBHNBLCAS3.5°0.0°
SAYCBHNBLCBI178.8°179.8°
SAYCBHCBICBA1.1°0.0°
SAYCBHNBLCBG179.2°180.0°
SAYCBHCBICBF178.7°179.8°
CBECBACBICBH0.2°0.2°
CBECBACBICAB179.6°180.0°
CBECBACBICBF179.5°180.0°
CBECBACABH390.2°90.0°
CBECBACABH4149.8°150.0°
CBECBACABH529.8°30.0°
OAUCAAH30H31120.0°120.0°
OAUCAAH30H32120.0°120.0°
OAUCAAH31H32120.0°119.9°
CBKCASNBLH14120.8°120.0°
CBKCASNBLH15120.8°120.0°
CASCBKOAWH16116.2°120.0°
CASCBKOAWCBJ134.5°150.0°
CBKCASNBLCBH122.6°90.0°
CBKCASNBLCBG60.2°90.0°
CBKCASH14H15117.5°120.0°
NBLCASCBKOAW62.2°60.0°
CASNBLCBHCBG177.3°180.0°
CASNBLCBHCBI177.7°179.8°
CASNBLCBGOAH2.1°0.1°
CASNBLCBGNBM178.2°179.6°
NBLCASH14H15117.5°120.0°
NBLCASCBKH1654.6°60.0°
CBKOAWCBJCAR153.0°90.4°
CBKOAWCBJCAQ88.5°150.0°
OAWCBKCASH1458.6°180.0°
OAWCBKCASH15177.0°60.0°
CBKOAWCBJH1732.9°29.8°
OAWCBJCARCAQ120.1°119.9°
OAWCBJCARH17120.9°120.2°
OAWCBJCARCAP177.3°176.9°
OAWCBJCAQH17122.2°120.2°
OAWCBJCAQCAO175.5°176.9°
CBJOAWCBKH1618.3°30.0°
OAWCBJCAQH1855.4°56.9°
OAWCBJCAQH1964.3°63.3°
OAWCBJCARH2457.5°63.3°
OAWCBJCARH2562.8°57.0°
NBLCBHCBICBA179.9°179.9°
NBLCBHCBICBF0.3°0.0°
CBHNBLCBGOAH179.2°179.9°
CBHNBLCBGNBM1.2°0.4°
CBHNBLCASH141.8°150.0°
CBHNBLCASH15116.6°30.0°
CBHCBICBACBF179.7°179.8°
CBHCBICBACAB179.8°179.8°
CBICBHNBLCBG0.4°0.2°
CBHCBICBFNBM0.3°0.1°
CBHCBICBFOAG179.8°179.8°
CBACBICBFNBM180.0°179.9°
CBACBICBFOAG0.5°0.1°
CBICBACABH390.2°90.0°
CBICBACABH429.8°30.0°
CBICBACABH5149.8°150.0°
CABCBACBICBF0.1°0.0°
CBACABH3H4120.0°120.0°
CBACABH3H5120.0°119.9°
CBACABH4H5120.0°120.0°
NBLCBGOAHNBM179.7°179.8°
NBLCBGNBMCBF1.2°0.3°
NBLCBGNBMCBN178.4°179.7°
CBGNBLCASH14179.0°30.0°
CBGNBLCASH1560.5°150.0°
CBJCARCAPH24119.9°119.9°
CBJCARCAPH25119.9°119.9°
CARCBJCAQH17119.1°119.9°
CBJCARCAPOAV63.0°57.6°
CARCBJCAQCAO56.8°57.0°
CARCBJCAQH1863.4°63.0°
CARCBJCAQH19176.9°176.9°
CBJCARCAPH2256.8°177.6°
CBJCARCAPH23177.1°62.4°
CBJCARH24H25120.4°120.2°
CAPCARCBJCAQ62.6°57.0°
CARCAPOAVH22119.9°119.9°
CARCAPOAVH23119.9°120.0°
CARCAPOAVCAO59.0°61.2°
CAPCARCBJH1756.4°62.9°
CARCAPH22H23120.3°120.1°
CAPCARH24H25120.4°120.2°
CBICBFNBMCBG0.5°0.1°
CBICBFNBMOAG179.5°179.9°
CBICBFNBMCBN179.1°180.0°
CBJCAQCAOH18120.1°119.9°
CBJCAQCAOH19120.1°119.8°
CBJCAQCAOOAV51.5°57.6°
CBJCAQH18H19119.6°120.1°
CBJCAQCAOH20171.8°177.6°
CBJCAQCAOH2168.8°62.4°
CAQCBJCARH24177.5°176.8°
CAQCBJCARH2557.3°62.9°
OAHCBGNBMCBF179.2°179.9°
OAHCBGNBMCBN1.3°0.0°
CBGNBMCBFCBN179.6°179.9°
CBGNBMCBFOAG179.1°179.9°
CBGNBMCBNCAD97.8°61.9°
CBGNBMCBNCAC25.0°178.1°
CBGNBMCBNCAZ139.6°58.1°
CAPOAVCAOCAQ53.6°61.2°
CAPOAVCAOH20173.9°178.9°
CAPOAVCAOH2166.7°58.8°
OAVCAPH22H23120.3°120.0°
OAVCAPCARH24177.1°177.5°
OAVCAPCARH2556.8°62.3°
CBFNBMCBNCAD82.6°118.1°
CBFNBMCBNCAC154.5°1.9°
CBFNBMCBNCAZ39.9°121.9°
OAGCBFNBMCBN1.3°0.1°
CAQCAOOAVH20120.3°119.9°
CAQCAOOAVH21120.2°120.0°
CAOCAQCBJH1762.3°62.9°
CAOCAQH18H19119.6°120.2°
CAQCAOH20H21119.1°120.0°
NBMCBNCADCAC125.9°120.0°
NBMCBNCADCAZ119.9°120.0°
NBMCBNCACCAZ116.3°120.0°
NBMCBNCAZOAF56.7°144.0°
NBMCBNCAZNAE121.8°36.1°
NBMCBNCADH6180.0°60.0°
NBMCBNCADH760.0°180.0°
NBMCBNCADH860.0°60.0°
NBMCBNCACH9180.0°60.0°
NBMCBNCACH1060.0°180.0°
NBMCBNCACH1160.0°60.0°
OAVCAOCAQH1868.7°62.3°
OAVCAOCAQH19171.6°177.5°
OAVCAOH20H21119.2°120.1°
CAOOAVCAPH2260.8°178.9°
CAOOAVCAPH23179.0°58.8°
CADCBNCACCAZ119.1°120.0°
CADCBNCAZOAF179.1°24.0°
CADCBNCAZNAE0.6°156.1°
CBNCADH6H7120.0°120.0°
CBNCADH6H8120.0°120.0°
CBNCADH7H8119.9°120.0°
CADCBNCACH955.4°179.9°
CADCBNCACH1064.6°60.0°
CADCBNCACH11175.4°60.0°
CACCBNCAZOAF64.1°96.0°
CACCBNCAZNAE117.4°83.9°
CACCBNCADH654.1°60.0°
CACCBNCADH7174.1°60.0°
CACCBNCADH865.9°180.0°
CBNCACH9H10120.0°120.0°
CBNCACH9H11120.0°120.0°
CBNCACH10H11120.0°120.0°
CBNCAZOAFNAE178.4°180.0°
CAZCBNCADH660.2°180.0°
CAZCBNCADH759.9°60.0°
CAZCBNCADH8179.8°59.9°
CAZCBNCACH963.6°60.0°
CAZCBNCACH10176.3°60.0°
CAZCBNCACH1156.3°180.0°
CBNCAZNAEH12178.5°5.0°
CBNCAZNAEH131.5°175.0°
OAFCAZNAEH120.0°175.0°
OAFCAZNAEH13180.0°4.9°
CAZNAEH12H13180.0°179.9°
H1CALCAKH20.0°0.0°
H3CABH4H5120.0°120.1°
H6CADH7H8120.0°120.0°
H9CACH10H11119.9°120.0°
H14CASCBKH16175.4°60.0°
H15CASCBKH1666.2°179.9°
H17CBJCAQH18177.5°177.1°
H17CBJCAQH1957.8°56.9°
H17CBJCARH2463.4°56.9°
H17CBJCARH25176.3°177.2°
H18CAQCAOH2051.6°57.6°
H18CAQCAOH21171.1°177.7°
H19CAQCAOH2068.1°62.6°
H19CAQCAOH2151.3°57.4°
H22CAPCARH2463.0°62.6°
H22CAPCARH25176.7°57.7°
H23CAPCARH2457.2°57.5°
H23CAPCARH2563.1°177.7°
H26CANCAJH270.8°0.0°
H27CAJCAIH280.9°0.0°
H28CAICAMH291.1°0.0°
H30CAAH31H32120.0°120.0°

222415

PDB entries from 2024-07-10

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