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X22

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAACBsing1.53Å1.53Å
CBCAsing1.53Å1.54Å
CANsing1.47Å1.46Å
CACsing1.51Å1.53Å
COdoub1.21Å1.23Å
CNAXsing1.35Å1.33Å
NAXCBIsing1.45Å1.47Å
CBICBAsing1.51Å1.56Å
CBICBEsing1.54Å1.56Å
CBAOAEdoub1.20Å1.23Å
CBANBJsing1.35Å1.35Å
NBJCBFsing1.46Å1.48Å
NBJCBGsing1.47Å1.48Å
CBECARsing1.53Å1.54Å
CBECASsing1.53Å1.55Å
CAROAFsing1.43Å1.44Å
CASCATsing1.52Å1.54Å
CATCBFsing1.52Å1.53Å
CBFCAUsing1.54Å1.53Å
CAUCAVsing1.54Å1.52Å
CAVCBGsing1.54Å1.54Å
CBGCAZsing1.51Å1.55Å
CAZOADdoub1.21Å1.23Å
CAZNAWsing1.35Å1.34Å
NAWCBHsing1.47Å1.49Å
CBHCBCsing1.51Å1.54Å
CBHCBBsing1.51Å1.55Å
CBCCAOdoub1.38Å1.40ÅAromatic
CBCCAPsing1.38Å1.39ÅAromatic
CAOCAKsing1.38Å1.39ÅAromatic
CAKCAHdoub1.38Å1.39ÅAromatic
CAHCALsing1.38Å1.40ÅAromatic
CALCAPdoub1.38Å1.40ÅAromatic
CBBCAMdoub1.38Å1.40ÅAromatic
CBBCANsing1.38Å1.40ÅAromatic
CAMCAIsing1.38Å1.39ÅAromatic
CAICAGdoub1.38Å1.39ÅAromatic
CAGCAJsing1.38Å1.39ÅAromatic
CAJCANdoub1.38Å1.39ÅAromatic
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CAAHAABsing1.09Å1.10Å
CBHBsing1.09Å1.10Å
CBHBAsing1.09Å1.10Å
CAHAsing1.09Å1.10Å
NHNsing1.01Å1.00Å
NHNAsing1.01Å1.00Å
NAXHNAXsing0.97Å1.00Å
CBIHBIsing1.10Å1.10Å
CBEHBEsing1.09Å1.10Å
CARHARsing1.09Å1.10Å
CARHARAsing1.09Å1.10Å
OAFHOAFsing0.97Å0.95Å
CASHASsing1.10Å1.10Å
CASHASAsing1.09Å1.10Å
CATHATsing1.10Å1.10Å
CATHATAsing1.09Å1.10Å
CBFHBFsing1.10Å1.10Å
CAUHAUsing1.09Å1.10Å
CAUHAUAsing1.09Å1.10Å
CAVHAVsing1.09Å1.10Å
CAVHAVAsing1.09Å1.10Å
CBGHBGsing1.09Å1.10Å
NAWHNAWsing0.97Å1.00Å
CBHHBHsing1.09Å1.10Å
CAOHAOsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
CAHHAHsing1.08Å1.08Å
CALHALsing1.08Å1.08Å
CAPHAPsing1.08Å1.08Å
CAMHAMsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CAGHAGsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CANHANsing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAACBCA115.9°109.5°
CBCAAHAA109.5°109.5°
CBCAAHAAA109.5°109.5°
CBCAAHAAB109.5°109.4°
CAACBHB107.4°109.4°
CAACBHBA105.9°109.5°
CBCAN109.7°109.5°
CBCAC115.1°109.5°
CACBHB107.4°109.4°
CACBHBA105.9°109.5°
CBCAHA105.3°109.5°
NCAC109.1°109.5°
NCAHA111.7°109.4°
CANHN109.5°111.0°
CANHNA109.5°111.0°
CACO121.9°120.0°
CACNAX113.4°120.0°
CCAHA106.0°109.5°
OCNAX124.6°120.0°
CNAXCBI122.5°120.0°
CNAXHNAX118.7°120.0°
NAXCBICBA110.5°111.5°
NAXCBICBE110.3°112.5°
CBINAXHNAX118.8°120.0°
NAXCBIHBI111.2°108.9°
CBACBICBE116.9°108.8°
CBICBAOAE118.6°120.1°
CBICBANBJ122.9°119.5°
CBACBIHBI103.7°107.4°
CBICBECAR114.3°109.2°
CBICBECAS114.2°109.8°
CBECBIHBI103.8°107.7°
CBICBEHBE103.1°108.9°
OAECBANBJ118.5°120.4°
CBANBJCBF125.8°126.7°
CBANBJCBG123.8°123.6°
CBFNBJCBG110.3°109.7°
NBJCBFCAT107.5°112.7°
NBJCBFCAU106.2°106.1°
NBJCBFHBF112.8°110.0°
NBJCBGCAV103.3°104.6°
NBJCBGCAZ118.6°110.5°
NBJCBGHBG107.7°110.3°
CARCBECAS111.9°109.9°
CBECAROAF108.5°109.5°
CARCBEHBE106.0°109.1°
CBECARHAR109.8°109.5°
CBECARHARA110.0°109.5°
CBECASCAT116.9°112.8°
CASCBEHBE106.1°109.9°
CBECASHAS107.1°108.7°
CBECASHASA105.4°109.7°
OAFCARHAR109.8°109.5°
OAFCARHARA110.0°109.5°
CAROAFHOAF109.5°114.0°
CASCATCBF112.1°110.8°
CATCASHAS107.1°108.7°
CATCASHASA105.4°109.6°
CASCATHAT108.6°108.5°
CASCATHATA108.0°111.7°
CATCBFCAU109.4°109.1°
CBFCATHAT108.6°108.3°
CBFCATHATA108.0°110.3°
CATCBFHBF109.7°109.6°
CBFCAUCAV104.3°102.0°
CAUCBFHBF111.0°109.3°
CBFCAUHAU111.3°110.8°
CBFCAUHAUA112.3°111.2°
CAUCAVCBG104.4°101.7°
CAVCAUHAU111.3°111.0°
CAVCAUHAUA112.4°111.4°
CAUCAVHAV111.2°111.0°
CAUCAVHAVA112.3°111.1°
CAVCBGCAZ109.4°110.5°
CBGCAVHAV111.2°110.8°
CBGCAVHAVA112.3°111.0°
CAVCBGHBG117.2°110.3°
CBGCAZOAD123.6°120.0°
CBGCAZNAW109.9°120.0°
CAZCBGHBG101.4°110.4°
OADCAZNAW126.6°120.0°
CAZNAWCBH132.8°120.0°
CAZNAWHNAW113.6°120.0°
NAWCBHCBC116.4°109.5°
NAWCBHCBB113.8°109.5°
CBHNAWHNAW113.6°120.0°
NAWCBHHBH102.5°109.5°
CBCCBHCBB114.0°109.4°
CBHCBCCAO117.5°120.0°
CBHCBCCAP122.2°120.0°
CBCCBHHBH102.2°109.5°
CBHCBBCAM118.5°120.0°
CBHCBBCAN121.8°120.0°
CBBCBHHBH105.7°109.5°
CAOCBCCAP120.3°120.0°
CBCCAOCAK120.7°120.0°
CBCCAOHAO119.7°120.0°
CBCCAPCAL118.9°120.0°
CBCCAPHAP120.5°120.0°
CAOCAKCAH119.1°120.0°
CAKCAOHAO119.7°120.0°
CAOCAKHAK120.5°120.0°
CAKCAHCAL120.5°120.0°
CAHCAKHAK120.4°120.0°
CAKCAHHAH119.7°120.0°
CAHCALCAP120.5°120.0°
CALCAHHAH119.7°120.0°
CAHCALHAL119.7°120.0°
CAPCALHAL119.8°120.1°
CALCAPHAP120.6°120.0°
CAMCBBCAN119.6°120.0°
CBBCAMCAI120.4°120.0°
CBBCAMHAM119.8°120.0°
CBBCANCAJ119.7°120.0°
CBBCANHAN120.1°119.9°
CAMCAICAG119.7°120.0°
CAICAMHAM119.8°120.0°
CAMCAIHAI120.1°120.0°
CAICAGCAJ120.1°120.0°
CAGCAIHAI120.2°120.0°
CAICAGHAG120.0°120.0°
CAGCAJCAN120.5°120.0°
CAJCAGHAG120.0°120.0°
CAGCAJHAJ119.8°120.0°
CANCAJHAJ119.8°119.9°
CAJCANHAN120.1°120.1°
HAACAAHAAA109.5°109.5°
HAACAAHAAB109.5°109.4°
HAAACAAHAAB109.4°109.5°
HBCBHBA114.6°109.5°
HNNHNA109.5°111.0°
HARCARHARA108.8°109.5°
HASCASHASA115.5°107.1°
HATCATHATA111.5°107.1°
HAUCAUHAUA105.5°110.1°
HAVCAVHAVA105.6°110.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAACBCAHB120.0°120.0°
CAACBCAHBA117.1°120.1°
CAACBCAN106.8°65.0°
CAACBCAC16.6°174.9°
CBCAAHAAHAAA120.0°120.1°
CBCAAHAAHAAB120.0°119.9°
CBCAAHAAAHAAB120.0°120.0°
CAACBHBHBA117.3°120.0°
CAACBCAHA132.8°54.9°
CBCANC126.8°120.0°
CBCANHA116.3°120.0°
CBCACHA115.9°120.0°
CBCACO76.9°100.0°
CBCACNAX104.7°80.0°
CACBCAAHAA73.0°180.0°
CACBCAAHAAA47.0°60.0°
CACBCAAHAAB167.0°60.1°
CACBHBHBA117.4°120.0°
CBCANHN149.6°176.1°
CBCANHNA90.4°60.0°
NCACHA120.4°120.0°
NCACO46.8°20.0°
NCACNAX131.6°160.0°
NCACBHB13.2°175.0°
NCACBHBA136.1°55.0°
CANHNHNA120.0°123.9°
CACONAX178.2°180.0°
CACNAXCBI179.7°180.0°
CCACBHB136.6°55.0°
CCACBHBA100.5°65.0°
CCANHN83.5°63.9°
CCANHNA36.5°60.0°
CACNAXHNAX0.3°0.0°
OCNAXCBI1.4°0.0°
OCCAHA167.2°140.0°
OCNAXHNAX178.7°180.0°
CNAXCBIHNAX180.0°180.0°
CNAXCBICBA114.9°85.0°
CNAXCBICBE114.3°152.5°
NAXCCAHA11.2°40.0°
CNAXCBIHBI0.4°33.3°
NAXCBICBACBE127.3°124.6°
NAXCBICBAHBI119.2°119.2°
NAXCBICBEHBI119.2°119.9°
NAXCBICBAOAE4.5°110.2°
NAXCBICBANBJ173.8°69.8°
NAXCBICBECAR61.1°91.7°
NAXCBICBECAS168.1°28.9°
NAXCBICBEHBE53.5°149.3°
CBACBICBEHBI113.4°116.1°
CBICBAOAENBJ178.3°180.0°
CBICBANBJCBF0.2°27.9°
CBICBANBJCBG177.2°153.7°
CBACBICBECAR66.2°144.3°
CBACBICBECAS64.5°95.1°
CBACBINAXHNAX65.1°95.0°
CBACBICBEHBE179.2°25.3°
CBECBICBAOAE122.8°125.3°
CBECBICBANBJ59.0°54.7°
CBICBECARCAS131.9°120.5°
CBICBECARHBE112.9°118.9°
CBICBECASHBE112.9°119.8°
CBICBECAROAF91.7°175.0°
CBICBECASCAT57.0°51.0°
CBECBINAXHNAX65.7°27.5°
CBICBECARHAR28.3°55.0°
CBICBECARHARA148.0°65.0°
CBICBECASHAS63.0°171.7°
CBICBECASHASA173.6°71.5°
OAECBANBJCBF178.5°152.1°
OAECBANBJCBG1.1°26.3°
OAECBACBIHBI123.7°9.0°
CBANBJCBFCBG177.7°178.5°
CBANBJCBFCAT65.2°56.1°
CBANBJCBFCAU177.8°175.4°
CBANBJCBGCAV157.6°159.6°
CBANBJCBGCAZ81.2°81.4°
NBJCBACBIHBI54.5°171.0°
CBANBJCBFHBF56.0°66.5°
CBANBJCBGHBG32.9°41.0°
NBJCBFCATCAS87.1°86.4°
NBJCBFCATCAU114.9°117.6°
NBJCBFCATHBF123.1°122.8°
NBJCBFCAUHBF123.0°118.5°
NBJCBFCAUCAV20.6°28.3°
CBFNBJCBGCAV20.2°19.0°
CBFNBJCBGCAZ101.0°100.0°
NBJCBFCATHAT152.9°154.7°
NBJCBFCATHATA31.8°37.8°
NBJCBFCAUHAU140.6°146.5°
NBJCBFCAUHAUA101.3°90.7°
CBFNBJCBGHBG144.8°137.6°
CBGNBJCBFCAT117.1°125.4°
CBGNBJCBFCAU0.1°6.0°
NBJCBGCAVCAU32.5°35.9°
NBJCBGCAVCAZ127.3°119.0°
NBJCBGCAVHBG118.2°118.6°
NBJCBGCAZHBG117.5°122.4°
NBJCBGCAZOAD2.1°0.0°
NBJCBGCAZNAW178.6°179.9°
CBGNBJCBFHBF121.7°112.1°
NBJCBGCAVHAV87.5°82.1°
NBJCBGCAVHAVA154.4°154.2°
CARCBECASHBE115.2°120.0°
CBECAROAFHAR120.0°120.0°
CBECAROAFHARA120.4°120.0°
CARCBECASCAT74.9°171.2°
CARCBECBIHBI179.6°28.2°
CBECARHARHARA120.4°120.0°
CBECAROAFHOAF171.5°180.0°
CARCBECASHAS165.1°68.1°
CARCBECASHASA41.7°48.7°
CASCBECAROAF136.4°64.6°
CBECASCATHAS120.0°120.7°
CBECASCATHASA116.6°122.5°
CBECASCATCBF71.8°37.0°
CASCBECBIHBI48.9°148.8°
CASCBECARHAR103.6°175.5°
CASCBECARHARA16.1°55.5°
CBECASHASHASA117.0°118.5°
CBECASCATHAT168.2°155.8°
CBECASCATHATA47.1°86.4°
OAFCARCBEHBE21.2°56.0°
OAFCARHARHARA120.4°120.0°
CASCATCBFHAT120.0°118.9°
CASCATCBFHATA118.9°124.2°
CASCATCBFCAU158.0°156.0°
CATCASCBEHBE169.9°68.8°
CATCASHASHASA117.0°118.4°
CASCATHATHATA118.9°120.7°
CASCATCBFHBF36.0°36.4°
CATCBFCAUHBF121.3°119.8°
CATCBFCAUCAV136.4°149.9°
CBFCATCASHAS48.2°83.6°
CBFCATCASHASA171.7°159.6°
CBFCATHATHATA118.9°119.0°
CATCBFCAUHAU103.6°91.8°
CATCBFCAUHAUA14.4°31.0°
CBFCAUCAVHAU120.0°118.1°
CBFCAUCAVHAUA121.9°118.8°
CBFCAUCAVCBG32.8°38.7°
CAUCBFCATHAT38.0°37.1°
CAUCBFCATHATA83.1°79.8°
CBFCAUHAUHAUA122.1°123.5°
CBFCAUCAVHAV87.2°79.2°
CBFCAUCAVHAVA154.8°156.9°
CAUCAVCBGHAV120.0°118.0°
CAUCAVCBGHAVA121.9°118.3°
CAUCAVCBGCAZ94.8°83.1°
CAVCAUCBFHBF102.4°90.3°
CAVCAUHAUHAUA122.1°123.9°
CAUCAVHAVHAVA122.1°124.1°
CAUCAVCBGHBG150.7°154.5°
CAVCBGCAZHBG124.4°122.3°
CAVCBGCAZOAD120.1°115.3°
CAVCBGCAZNAW60.5°64.6°
CBGCAVCAUHAU152.9°156.8°
CBGCAVCAUHAUA89.1°80.1°
CBGCAVHAVHAVA122.1°123.8°
CBGCAZOADNAW179.2°179.9°
CBGCAZNAWCBH179.3°180.0°
CAZCBGCAVHAV145.2°158.9°
CAZCBGCAVHAVA27.2°35.2°
CBGCAZNAWHNAW0.7°0.1°
OADCAZNAWCBH1.4°0.1°
OADCAZCBGHBG115.5°122.4°
OADCAZNAWHNAW178.6°180.0°
CAZNAWCBHHNAW180.0°179.9°
CAZNAWCBHCBC42.5°85.0°
CAZNAWCBHCBB93.3°155.1°
NAWCAZCBGHBG63.8°57.7°
CAZNAWCBHHBH153.1°35.1°
NAWCBHCBCCBB135.7°120.0°
NAWCBHCBCHBH110.7°120.0°
NAWCBHCBBHBH111.7°120.0°
NAWCBHCBCCAO88.0°140.0°
NAWCBHCBCCAP93.7°39.7°
NAWCBHCBBCAM157.3°140.0°
NAWCBHCBBCAN20.4°40.3°
CBCCBHCBBHBH111.5°120.0°
CBHCBCCAOCAP178.3°179.7°
CBHCBCCAOCAK179.3°180.0°
CBHCBCCAPCAL178.9°179.8°
CBCCBHCBBCAM65.8°100.1°
CBCCBHCBBCAN116.5°79.7°
CBCCBHNAWHNAW137.5°94.9°
CBHCBCCAOHAO0.7°0.0°
CBHCBCCAPHAP1.1°0.0°
CBBCBHCBCCAO136.3°100.0°
CBBCBHCBCCAP42.0°80.2°
CBHCBBCAMCAN177.8°179.8°
CBHCBBCAMCAI179.0°180.0°
CBHCBBCANCAJ178.6°179.8°
CBBCBHNAWHNAW86.7°25.0°
CBHCBBCAMHAM1.0°0.0°
CBHCBBCANHAN1.4°0.0°
CBCCAOCAKHAO180.0°180.0°
CBCCAOCAKCAH0.6°0.0°
CAOCBCCAPCAL0.7°0.5°
CAOCBCCBHHBH22.7°20.0°
CBCCAOCAKHAK179.4°180.0°
CAOCBCCAPHAP179.3°179.7°
CAPCBCCAOCAK1.0°0.3°
CBCCAPCALCAH0.1°0.4°
CBCCAPCALHAP180.0°179.8°
CAPCBCCBHHBH155.5°159.7°
CAPCBCCAOHAO179.0°179.8°
CBCCAPCALHAL179.9°179.7°
CAOCAKCAHHAK180.0°180.0°
CAOCAKCAHCAL0.0°0.0°
CAOCAKCAHHAH180.0°179.9°
CAKCAHCALHAH180.0°179.9°
CAKCAHCALCAP0.3°0.2°
CAHCAKCAOHAO179.4°180.0°
CAKCAHCALHAL179.7°179.9°
CAHCALCAPHAL180.0°179.9°
CALCAHCAKHAK180.0°180.0°
CAHCALCAPHAP179.9°179.8°
CAPCALCAHHAH179.7°179.9°
CBBCAMCAIHAM180.0°180.0°
CBBCAMCAICAG0.8°0.0°
CAMCBBCANCAJ1.0°0.5°
CAMCBBCBHHBH45.6°20.0°
CBBCAMCAIHAI179.2°180.0°
CAMCBBCANHAN179.1°179.8°
CANCBBCAMCAI1.2°0.2°
CBBCANCAJCAG0.3°0.5°
CBBCANCAJHAN180.0°179.8°
CANCBBCBHHBH132.1°160.3°
CANCBBCAMHAM178.8°179.7°
CBBCANCAJHAJ179.7°179.7°
CAMCAICAGHAI180.0°180.0°
CAMCAICAGCAJ0.1°0.0°
CAMCAICAGHAG179.9°179.9°
CAICAGCAJHAG180.0°179.9°
CAICAGCAJCAN0.1°0.2°
CAGCAICAMHAM179.2°180.0°
CAICAGCAJHAJ179.9°180.0°
CAGCAJCANHAJ180.0°179.8°
CAJCAGCAIHAI179.9°180.0°
CAGCAJCANHAN179.7°179.8°
CANCAJCAGHAG179.9°179.9°
HAACAAHAAAHAAB120.0°120.0°
HAACAACBHB47.0°60.1°
HAACAACBHBA169.9°60.0°
HAAACAACBHB167.0°60.0°
HAAACAACBHBA70.1°180.0°
HAABCAACBHB73.0°NaN°
HAABCAACBHBA49.9°60.0°
HBCBCAHA107.2°65.0°
HBACBCAHA15.8°175.0°
HACANHN33.3°56.1°
HACANHNA153.3°180.0°
HNAXNAXCBIHBI179.6°146.7°
HBICBICBEHBE65.8°90.8°
HBECBECARHAR141.2°64.0°
HBECBECARHARA99.1°176.0°
HBECBECASHAS49.9°51.9°
HBECBECASHASA73.5°168.7°
HARCAROAFHOAF51.5°60.0°
HARACAROAFHOAF68.2°59.9°
HASCASCATHAT71.8°35.1°
HASCASCATHATA167.1°152.9°
HASACASCATHAT51.7°81.7°
HASACASCATHATA69.4°36.2°
HATCATCBFHBF84.0°82.5°
HATACATCBFHBF154.9°160.6°
HBFCBFCAUHAU17.7°27.9°
HBFCBFCAUHAUA135.7°150.8°
HAUCAUCAVHAV32.8°39.0°
HAUCAUCAVHAVA85.2°85.0°
HAUACAUCAVHAV150.9°162.1°
HAUACAUCAVHAVA32.9°38.1°
HAVCAVCBGHBG30.7°36.5°
HAVACAVCBGHBG87.4°87.2°
HNAWNAWCBHHBH26.9°145.0°
HAOCAOCAKHAK0.6°0.0°
HAKCAKCAHHAH0.0°0.1°
HAHCAHCALHAL0.3°0.0°
HALCALCAPHAP0.1°0.1°
HAMCAMCAIHAI0.8°0.0°
HAICAICAGHAG0.1°0.1°
HAGCAGCAJHAJ0.1°0.0°
HAJCAJCANHAN0.3°0.1°

222415

PDB entries from 2024-07-10

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