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2CJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAACAXdoub1.21Å1.22Å
OABCAYdoub1.21Å1.23Å
OACCAXsing1.34Å1.22Å
CADCAFdoub1.38Å1.40ÅAromatic
CADCAGsing1.38Å1.41ÅAromatic
CADHADsing1.08Å1.08Å
CAECAHdoub1.38Å1.41ÅAromatic
CAECAIsing1.38Å1.41ÅAromatic
CAEHAEsing1.08Å1.08Å
CAFCAJsing1.38Å1.41ÅAromatic
CAFHAFsing1.08Å1.08Å
CAGCAKdoub1.38Å1.41ÅAromatic
CAGHAGsing1.08Å1.08Å
CAHCALsing1.38Å1.41ÅAromatic
CAHHAHsing1.08Å1.08Å
CAICAMdoub1.38Å1.41ÅAromatic
CAIHAIsing1.08Å1.08Å
CAJCAZdoub1.38Å1.42ÅAromatic
CAJHAJsing1.08Å1.08Å
CAKCAZsing1.38Å1.42ÅAromatic
CAKHAKsing1.08Å1.08Å
CALCBAdoub1.38Å1.42ÅAromatic
CALHALsing1.08Å1.08Å
CAMCBAsing1.38Å1.42ÅAromatic
CAMHAMsing1.08Å1.08Å
CANCAOsing1.55Å1.54Å
CANCATsing1.55Å1.55Å
CANHANsing1.09Å1.10Å
CANHANAsing1.09Å1.10Å
CAOCAUsing1.54Å1.54Å
CAOHAOsing1.09Å1.10Å
CAOHAOAsing1.09Å1.10Å
CAPCARsing1.53Å1.54Å
CAPNBCsing1.47Å1.42Å
CAPHAPsing1.09Å1.10Å
CAPHAPAsing1.09Å1.10Å
CAQCASsing1.53Å1.56Å
CAQNBCsing1.47Å1.42Å
CAQHAQsing1.09Å1.10Å
CAQHAQAsing1.09Å1.10Å
CARNBDsing1.47Å1.50Å
CARHARsing1.09Å1.10Å
CARHARAsing1.09Å1.10Å
CASNBDsing1.47Å1.50Å
CASHASsing1.09Å1.10Å
CASHASAsing1.09Å1.10Å
CATCBEsing1.54Å1.57Å
CATHATsing1.09Å1.10Å
CATHATAsing1.09Å1.10Å
CAUCBEsing1.54Å1.56Å
CAUHAUsing1.09Å1.10Å
CAUHAUAsing1.09Å1.10Å
CAVCAXsing1.51Å1.46Å
CAVCBEsing1.53Å1.58Å
CAVHAVsing1.09Å1.10Å
CAVHAVAsing1.09Å1.10Å
CAWCAYsing1.51Å1.46Å
CAWCBEsing1.53Å1.58Å
CAWHAWsing1.09Å1.10Å
CAWHAWAsing1.09Å1.10Å
CAYNBCsing1.35Å1.31Å
CAZCBBsing1.51Å1.50Å
CBACBBsing1.51Å1.50Å
CBBNBDsing1.47Å1.51Å
CBBHBBsing1.09Å1.10Å
OACH32sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAACAXOAC116.8°120.0°
OAACAXCAV120.8°120.0°
OABCAYCAW118.7°120.0°
OABCAYNBC116.3°120.0°
OACCAXCAV122.4°119.9°
CAXOACH32109.5°117.0°
CAFCADCAG119.8°120.0°
CAFCADHAD120.1°120.0°
CADCAFCAJ120.0°120.0°
CADCAFHAF120.0°120.0°
CAGCADHAD120.1°120.0°
CADCAGCAK120.2°120.0°
CADCAGHAG119.9°120.0°
CAHCAECAI119.8°120.0°
CAHCAEHAE120.1°120.0°
CAECAHCAL120.0°119.9°
CAECAHHAH120.0°120.1°
CAICAEHAE120.1°120.0°
CAECAICAM120.1°120.0°
CAECAIHAI119.9°120.0°
CAJCAFHAF120.0°120.0°
CAFCAJCAZ121.2°120.0°
CAFCAJHAJ119.4°120.0°
CAKCAGHAG119.9°119.9°
CAGCAKCAZ121.1°120.0°
CAGCAKHAK119.4°120.0°
CALCAHHAH120.0°120.0°
CAHCALCBA121.0°120.0°
CAHCALHAL119.5°120.0°
CAMCAIHAI120.0°120.0°
CAICAMCBA121.0°120.0°
CAICAMHAM119.5°120.0°
CAZCAJHAJ119.4°120.0°
CAJCAZCAK117.8°120.0°
CAJCAZCBB122.0°120.0°
CAZCAKHAK119.5°120.0°
CAKCAZCBB120.2°120.0°
CBACALHAL119.5°120.0°
CALCBACAM118.1°120.0°
CALCBACBB121.0°120.0°
CBACAMHAM119.5°120.0°
CAMCBACBB120.9°120.0°
CAOCANCAT106.4°102.8°
CAOCANHAN110.5°110.8°
CAOCANHANA110.5°110.7°
CANCAOCAU104.7°104.2°
CANCAOHAO111.1°110.5°
CANCAOHAOA111.1°110.5°
CATCANHAN110.5°110.8°
CATCANHANA110.5°110.7°
CANCATCBE108.8°104.2°
CANCATHAT109.7°110.4°
CANCATHATA109.7°110.5°
HANCANHANA108.4°110.8°
CAUCAOHAO111.1°110.5°
CAUCAOHAOA111.1°110.5°
CAOCAUCBE106.7°106.6°
CAOCAUHAU110.4°110.0°
CAOCAUHAUA110.4°110.1°
HAOCAOHAOA107.8°110.5°
CARCAPNBC114.5°108.5°
CARCAPHAP107.8°109.6°
CARCAPHAPA107.8°109.7°
CAPCARNBD106.5°109.3°
CAPCARHAR110.4°109.5°
CAPCARHARA110.4°109.5°
NBCCAPHAP107.8°109.6°
NBCCAPHAPA107.8°109.6°
CAPNBCCAQ123.7°118.2°
CAPNBCCAY117.5°120.9°
HAPCAPHAPA111.1°109.7°
CASCAQNBC117.0°108.5°
CASCAQHAQ107.1°109.6°
CASCAQHAQA107.0°109.6°
CAQCASNBD110.8°109.3°
CAQCASHAS109.1°109.5°
CAQCASHASA109.1°109.5°
NBCCAQHAQ107.0°109.6°
NBCCAQHAQA107.0°109.6°
CAQNBCCAY118.0°120.9°
HAQCAQHAQA111.8°109.8°
NBDCARHAR110.5°109.5°
NBDCARHARA110.5°109.5°
CARNBDCAS108.2°111.3°
CARNBDCBB115.2°111.0°
HARCARHARA108.5°109.5°
NBDCASHAS109.0°109.5°
NBDCASHASA109.0°109.5°
CASNBDCBB119.1°111.0°
HASCASHASA109.9°109.5°
CBECATHAT109.7°110.5°
CBECATHATA109.7°110.5°
CATCBECAU100.5°106.6°
CATCBECAV110.6°110.0°
CATCBECAW110.5°110.1°
HATCATHATA109.2°110.5°
CBECAUHAU110.4°110.1°
CBECAUHAUA110.4°110.0°
CAUCBECAV110.8°110.0°
CAUCBECAW110.1°110.0°
HAUCAUHAUA108.6°110.0°
CAXCAVCBE117.1°109.4°
CAXCAVHAV107.0°109.5°
CAXCAVHAVA107.0°109.5°
CBECAVHAV107.0°109.5°
CBECAVHAVA107.0°109.5°
CAVCBECAW113.5°110.1°
HAVCAVHAVA111.8°109.5°
CAYCAWCBE117.3°109.5°
CAYCAWHAW107.0°109.5°
CAYCAWHAWA107.0°109.5°
CAWCAYNBC124.9°120.0°
CBECAWHAW107.0°109.5°
CBECAWHAWA107.0°109.5°
HAWCAWHAWA111.8°109.4°
CAZCBBCBA107.4°109.5°
CAZCBBNBD113.1°109.5°
CAZCBBHBB110.0°109.5°
CBACBBNBD113.6°109.5°
CBACBBHBB109.5°109.5°
NBDCBBHBB103.2°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAACAXOACCAV178.4°180.0°
OAACAXCAVCBE123.7°7.0°
OAACAXCAVHAV3.7°113.0°
OAACAXCAVHAVA116.3°126.9°
OAACAXOACH320.0°0.0°
OABCAYNBCCAP78.1°0.1°
OABCAYNBCCAQ92.2°180.0°
OABCAYCAWNBC175.6°179.9°
OABCAYCAWCBE87.8°4.1°
OABCAYCAWHAW32.2°124.1°
OABCAYCAWHAWA152.2°115.9°
OACCAXCAVCBE57.9°173.1°
OACCAXCAVHAV177.9°66.9°
OACCAXCAVHAVA62.0°53.1°
CAFCADCAGHAD180.0°179.6°
CADCAFCAJHAF180.0°179.9°
CAFCADCAGCAK0.4°0.1°
CAFCADCAGHAG179.6°179.9°
CADCAFCAJCAZ0.7°0.0°
CADCAFCAJHAJ179.3°179.9°
CAGCADCAFCAJ0.1°0.1°
CAGCADCAFHAF179.8°180.0°
CADCAGCAKHAG180.0°180.0°
CADCAGCAKCAZ0.0°0.0°
CADCAGCAKHAK179.9°179.9°
HADCADCAFCAJ179.9°179.7°
HADCADCAFHAF0.2°0.4°
HADCADCAGCAK179.5°179.7°
HADCADCAGHAG0.5°0.3°
CAHCAECAIHAE180.0°179.6°
CAECAHCALHAH180.0°179.9°
CAHCAECAICAM0.9°0.1°
CAHCAECAIHAI179.1°180.0°
CAECAHCALCBA0.0°0.1°
CAECAHCALHAL180.0°179.9°
CAICAECAHCAL0.6°0.1°
CAICAECAHHAH179.4°180.0°
CAECAICAMHAI180.0°179.9°
CAECAICAMCBA0.6°0.1°
CAECAICAMHAM179.4°179.9°
HAECAECAHCAL179.4°179.7°
HAECAECAHHAH0.6°0.4°
HAECAECAICAM179.1°179.7°
HAECAECAIHAI0.9°0.3°
CAFCAJCAZHAJ180.0°179.9°
CAFCAJCAZCAK1.1°0.1°
CAFCAJCAZCBB179.9°179.9°
HAFCAFCAJCAZ179.4°179.9°
HAFCAFCAJHAJ0.6°0.0°
CAGCAKCAZCAJ0.8°0.1°
CAGCAKCAZHAK180.0°179.9°
CAGCAKCAZCBB179.6°179.9°
HAGCAGCAKCAZ180.0°180.0°
HAGCAGCAKHAK0.1°0.1°
CAHCALCBAHAL180.0°180.0°
CAHCALCBACAM0.3°0.0°
CAHCALCBACBB178.5°180.0°
HAHCAHCALCBA180.0°180.0°
HAHCAHCALHAL0.0°0.0°
CAICAMCBACAL0.0°0.0°
CAICAMCBAHAM180.0°180.0°
CAICAMCBACBB178.8°180.0°
HAICAICAMCBA179.4°180.0°
HAICAICAMHAM0.6°0.0°
CAJCAZCAKCBB178.8°179.9°
CAJCAZCAKHAK179.2°180.0°
CAJCAZCBBCBA99.7°100.0°
CAJCAZCBBNBD26.3°140.1°
CAJCAZCBBHBB141.2°20.0°
HAJCAJCAZCAK178.9°180.0°
HAJCAJCAZCBB0.1°0.0°
CAKCAZCBBCBA79.0°80.0°
CAKCAZCBBNBD154.9°40.0°
CAKCAZCBBHBB40.1°160.0°
HAKCAKCAZCBB0.4°0.0°
CALCBACAMCBB178.8°179.9°
CALCBACAMHAM180.0°180.0°
CALCBACBBCAZ64.3°100.0°
CALCBACBBNBD61.5°140.0°
CALCBACBBHBB176.3°20.0°
HALCALCBACAM179.7°180.0°
HALCALCBACBB1.5°0.1°
CAMCBACBBCAZ117.0°80.0°
CAMCBACBBNBD117.2°40.0°
CAMCBACBBHBB2.4°160.0°
HAMCAMCBACBB1.2°0.0°
CAOCANCATHAN120.0°118.4°
CAOCANCATHANA120.0°118.3°
CAOCANHANHANA121.3°123.3°
CANCAOCAUHAO120.0°118.7°
CANCAOCAUHAOA120.0°118.7°
CANCAOHAOHAOA122.0°122.6°
CAOCANCATCBE4.0°37.9°
CAOCANCATHAT116.0°80.8°
CAOCANCATHATA124.0°156.6°
CANCAOCAUCBE34.2°23.6°
CANCAOCAUHAU154.2°95.8°
CANCAOCAUHAUA85.8°142.9°
CATCANHANHANA121.2°123.3°
CATCANCAOCAU18.1°37.9°
CATCANCAOHAO101.9°156.6°
CATCANCAOHAOA138.1°80.8°
CANCATCBEHAT120.0°118.6°
CANCATCBEHATA120.0°118.8°
CANCATHATHATA120.3°122.6°
CANCATCBECAU23.7°23.6°
CANCATCBECAV140.9°142.8°
CANCATCBECAW92.5°95.7°
HANCANCAOCAU101.9°156.3°
HANCANCAOHAO138.1°85.0°
HANCANCAOHAOA18.1°37.6°
HANCANCATCBE124.1°156.3°
HANCANCATHAT4.0°37.6°
HANCANCATHATA115.9°85.0°
HANACANCAOCAU138.1°80.4°
HANACANCAOHAO18.1°38.3°
HANACANCAOHAOA101.9°161.0°
HANACANCATCBE116.0°80.4°
HANACANCATHAT124.0°161.0°
HANACANCATHATA4.0°38.3°
CAUCAOHAOHAOA121.9°122.6°
CAOCAUCBECAT35.3°0.0°
CAOCAUCBEHAU120.0°119.3°
CAOCAUCBEHAUA120.0°119.3°
CAOCAUHAUHAUA121.1°121.4°
CAOCAUCBECAV152.2°119.3°
CAOCAUCBECAW81.3°119.3°
HAOCAOCAUCBE85.9°142.3°
HAOCAOCAUHAU34.1°23.0°
HAOCAOCAUHAUA154.2°98.4°
HAOACAOCAUCBE154.1°95.1°
HAOACAOCAUHAU85.9°145.6°
HAOACAOCAUHAUA34.1°24.2°
CARCAPNBCHAP120.0°119.7°
CARCAPNBCHAPA120.0°119.8°
CARCAPHAPHAPA117.9°120.5°
CARCAPNBCCAQ15.0°51.2°
CAPCARNBDHAR120.0°119.9°
CAPCARNBDHARA120.0°120.0°
CAPCARHARHARA121.2°120.1°
CAPCARNBDCAS70.5°63.2°
CARCAPNBCCAY175.3°128.7°
CAPCARNBDCBB153.3°172.7°
NBCCAPHAPHAPA117.9°120.4°
CAPNBCCAQCAS2.0°51.2°
CAPNBCCAQCAY169.6°179.9°
CAPNBCCAQHAQ118.0°68.5°
CAPNBCCAQHAQA122.0°170.8°
NBCCAPCARNBD48.2°53.8°
NBCCAPCARHAR168.2°173.8°
NBCCAPCARHARA71.9°66.1°
CAPNBCCAYCAW106.2°180.0°
HAPCAPNBCCAQ134.9°170.9°
HAPCAPCARNBD168.1°173.6°
HAPCAPCARHAR71.9°66.5°
HAPCAPCARHARA48.1°53.6°
HAPCAPNBCCAY55.4°9.0°
HAPACAPNBCCAQ105.0°68.6°
HAPACAPCARNBD71.8°65.9°
HAPACAPCARHAR48.2°54.0°
HAPACAPCARHARA168.2°174.1°
HAPACAPNBCCAY64.6°111.5°
CASCAQNBCHAQ120.0°119.7°
CASCAQNBCHAQA120.0°119.7°
CASCAQHAQHAQA116.9°120.5°
CAQCASNBDCAR58.1°63.1°
CAQCASNBDHAS120.0°120.0°
CAQCASNBDHASA120.0°119.9°
CAQCASHASHASA119.5°120.0°
CASCAQNBCCAY171.7°128.8°
CAQCASNBDCBB167.7°172.7°
NBCCAQHAQHAQA116.9°120.5°
NBCCAQCASNBD23.4°53.8°
NBCCAQCASHAS96.7°66.2°
NBCCAQCASHASA143.4°173.8°
CAQNBCCAYCAW83.5°0.1°
HAQCAQCASNBD96.6°65.9°
HAQCAQCASHAS143.4°174.2°
HAQCAQCASHASA23.4°54.1°
HAQCAQNBCCAY51.7°111.6°
HAQACAQCASNBD143.4°173.5°
HAQACAQCASHAS23.3°53.5°
HAQACAQCASHASA96.6°66.5°
HAQACAQNBCCAY68.3°9.1°
NBDCARHARHARA121.2°120.1°
CARNBDCASCBB134.2°124.1°
CARNBDCASHAS61.9°56.8°
CARNBDCASHASA178.1°176.9°
CARNBDCBBCAZ64.4°180.0°
CARNBDCBBCBA172.9°60.0°
CARNBDCBBHBB54.4°60.0°
HARCARNBDCAS169.5°176.9°
HARCARNBDCBB33.4°52.8°
HARACARNBDCAS49.5°56.8°
HARACARNBDCBB86.7°67.3°
NBDCASHASHASA119.4°120.1°
CASNBDCBBCAZ164.4°55.7°
CASNBDCBBCBA41.7°175.7°
CASNBDCBBHBB76.7°64.3°
HASCASNBDCBB72.2°67.3°
HASACASNBDCBB47.7°52.8°
CBECATHATHATA120.3°122.6°
CATCBECAUCAV116.9°119.3°
CATCBECAUCAW116.6°119.3°
CATCBECAUHAU155.3°119.3°
CATCBECAUHAUA84.7°119.3°
CATCBECAVCAX178.0°60.0°
CATCBECAVCAW124.9°121.5°
CATCBECAVHAV58.0°60.0°
CATCBECAVHAVA62.0°180.0°
CATCBECAWCAY84.3°174.6°
CATCBECAWHAW155.7°54.6°
CATCBECAWHAWA35.7°65.4°
HATCATCBECAU96.2°95.1°
HATCATCBECAV20.9°24.2°
HATCATCBECAW147.5°145.7°
HATACATCBECAU143.7°142.3°
HATACATCBECAV99.1°98.4°
HATACATCBECAW27.4°23.1°
CBECAUHAUHAUA121.1°121.4°
CAUCBECAVCAX71.4°177.1°
CAUCBECAVCAW124.6°121.4°
CAUCBECAVHAV168.6°57.1°
CAUCBECAVHAVA48.6°62.9°
CAUCBECAWCAY165.5°57.4°
CAUCBECAWHAW45.5°62.6°
CAUCBECAWHAWA74.5°177.5°
HAUCAUCBECAV87.8°121.4°
HAUCAUCBECAW38.7°0.0°
HAUACAUCBECAV32.3°0.0°
HAUACAUCBECAW158.8°121.4°
CAXCAVCBEHAV120.0°120.0°
CAXCAVCBEHAVA120.0°119.9°
CAXCAVHAVHAVA116.9°120.0°
CAXCAVCBECAW53.2°61.5°
CAVCAXOACH32178.4°179.9°
CBECAVHAVHAVA116.9°120.0°
CAVCBECAWCAY40.6°64.0°
CAVCBECAWHAW79.4°176.0°
CAVCBECAWHAWA160.6°56.1°
HAVCAVCBECAW66.8°178.5°
HAVACAVCBECAW173.1°58.5°
CAYCAWCBEHAW120.0°120.0°
CAYCAWCBEHAWA120.0°120.1°
CAYCAWHAWHAWA116.8°120.0°
CBECAWHAWHAWA116.8°120.0°
CBECAWCAYNBC96.5°175.8°
HAWCAWCAYNBC143.5°55.8°
HAWACAWCAYNBC23.5°64.2°
CAZCBBCBANBD125.8°120.0°
CAZCBBCBAHBB119.4°120.0°
CAZCBBNBDHBB118.8°120.0°
CBACBBNBDHBB118.5°120.0°

221371

PDB entries from 2024-06-19

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