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A1IN2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBJCAWsing1.51Å1.39Å
CBJOAVsing1.43Å1.48Å
CAWCBIdoub1.31Å1.42Å
OAVCAUsing1.36Å1.38Å
CBICAXsing1.51Å1.45Å
CAXOAYsing1.43Å1.45Å
OASCATsing1.43Å1.42Å
OASCARsing1.36Å1.35Å
CAUCARdoub1.39Å1.39ÅAromatic
CAUCBEsing1.39Å1.40ÅAromatic
OBFCBEsing1.36Å1.37Å
OBFCBGsing1.43Å1.45Å
CARCAQsing1.39Å1.44ÅAromatic
CBECBHdoub1.39Å1.41ÅAromatic
OAYCAZsing1.43Å1.48Å
CAZCBAsing1.53Å1.43Å
CAQCAPdoub1.38Å1.41ÅAromatic
CBHCAPsing1.38Å1.40ÅAromatic
CBAOBBsing1.45Å1.46Å
CAPCAIsing1.51Å1.49Å
OBBCsing1.35Å1.40Å
CAKCALsing1.53Å1.43Å
CAKCAJsing1.53Å1.55Å
CALCAMsing1.53Å1.51Å
CAICAJsing1.53Å1.55Å
CAICABsing1.51Å1.46Å
CAJCAOsing1.53Å1.58Å
COdoub1.21Å1.21Å
CCAsing1.51Å1.46Å
CAHNsing1.47Å1.51Å
CAHCAGsing1.53Å1.51Å
CABOAAdoub1.21Å1.21Å
CABNsing1.34Å1.35Å
NCAsing1.47Å1.49Å
CAMCANsing1.53Å1.52Å
CACBsing1.53Å1.51Å
CAGCAFsing1.52Å1.52Å
CAFCBsing1.52Å1.51Å
CAOCANsing1.53Å1.46Å
CAKHAKsing1.09Å1.10Å
CAKHB6sing1.09Å1.10Å
CALHALsing1.09Å1.10Å
CALHB7sing1.09Å1.10Å
CAMHAMsing1.09Å1.10Å
CAMHB8sing1.09Å1.10Å
CANHANsing1.09Å1.10Å
CANHB9sing1.09Å1.10Å
CAOHCAsing1.09Å1.10Å
CAOHAOsing1.09Å1.10Å
CAJHAJsing1.09Å1.10Å
CAIHAIsing1.09Å1.10Å
CAHHAHsing1.09Å1.10Å
CAHHB5sing1.09Å1.10Å
CAGHAGsing1.09Å1.10Å
CAGHB4sing1.09Å1.10Å
CAFHAFsing1.09Å1.10Å
CAFHB3sing1.09Å1.10Å
CBHB2sing1.09Å1.10Å
CBHB1sing1.09Å1.10Å
CAHAsing1.09Å1.10Å
CBAHCFsing1.09Å1.10Å
CBAHBAsing1.09Å1.10Å
CAZHCEsing1.09Å1.10Å
CAZHAZsing1.09Å1.10Å
CAXHCDsing1.09Å1.10Å
CAXHAXsing1.09Å1.10Å
CBIHBIsing1.08Å1.08Å
CAWHAWsing1.08Å1.08Å
CBJHBJsing1.09Å1.10Å
CBJHCIsing1.09Å1.10Å
CATHCCsing1.09Å1.10Å
CATHATsing1.09Å1.10Å
CATHCBsing1.09Å1.10Å
CAQHAQsing1.08Å1.08Å
CBHHBHsing1.08Å1.08Å
CBGHCHsing1.09Å1.10Å
CBGHBGsing1.09Å1.10Å
CBGHCGsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAWCBJOAV110.9°109.7°
CBJCAWCBI126.9°119.9°
CBJCAWHAW116.5°120.6°
CAWCBJHBJ109.1°109.4°
CAWCBJHCI109.1°109.4°
CBJOAVCAU120.9°115.9°
OAVCBJHBJ109.1°109.5°
OAVCBJHCI109.1°109.5°
CAWCBICAX124.0°119.8°
CAWCBIHBI118.0°119.9°
CBICAWHAW116.5°119.5°
OAVCAUCAR121.3°120.2°
OAVCAUCBE118.6°120.0°
CBICAXOAY120.3°109.7°
CBICAXHCD106.7°109.4°
CBICAXHAX106.7°109.4°
CAXCBIHBI118.0°120.3°
CAXOAYCAZ111.1°114.3°
OAYCAXHCD106.7°109.4°
OAYCAXHAX106.7°109.4°
CATOASCAR113.8°117.0°
OASCATHCC109.5°109.5°
OASCATHAT109.5°109.5°
OASCATHCB109.5°109.5°
OASCARCAU114.0°120.1°
OASCARCAQ124.9°120.1°
CARCAUCBE119.9°119.8°
CAUCARCAQ120.9°119.8°
CAUCBEOBF117.1°120.0°
CAUCBECBH118.8°120.0°
CBEOBFCBG118.4°117.0°
OBFCBECBH124.0°120.0°
OBFCBGHCH109.5°109.5°
OBFCBGHBG109.5°109.5°
OBFCBGHCG109.5°109.5°
CARCAQCAP118.9°120.2°
CARCAQHAQ120.6°119.9°
CBECBHCAP122.6°120.0°
CBECBHHBH118.7°120.0°
OAYCAZCBA104.2°109.1°
OAYCAZHCE110.8°109.5°
OAYCAZHAZ110.8°109.6°
CAZCBAOBB106.1°109.7°
CAZCBAHCF110.3°109.4°
CAZCBAHBA110.3°109.4°
CBACAZHCE110.8°109.5°
CBACAZHAZ110.8°109.5°
CAQCAPCBH118.8°120.1°
CAQCAPCAI120.4°120.1°
CAPCAQHAQ120.5°119.9°
CBHCAPCAI120.7°119.8°
CAPCBHHBH118.7°120.0°
CBAOBBC114.1°116.6°
OBBCBAHCF110.3°109.4°
OBBCBAHBA110.3°109.5°
CAPCAICAJ110.0°109.7°
CAPCAICAB107.9°108.6°
CAPCAIHAI108.3°109.7°
OBBCO122.8°120.3°
OBBCCA116.2°119.4°
CALCAKCAJ108.6°109.5°
CAKCALCAM115.5°109.5°
CALCAKHAK109.7°109.5°
CALCAKHB6109.7°109.5°
CAKCALHAL107.9°109.5°
CAKCALHB7108.0°109.4°
CAKCAJCAI114.6°109.5°
CAKCAJCAO112.1°109.4°
CAJCAKHAK109.7°109.5°
CAJCAKHB6109.7°109.5°
CAKCAJHAJ107.1°109.5°
CALCAMCAN109.3°109.5°
CAMCALHAL107.9°109.5°
CAMCALHB7107.9°109.5°
CALCAMHAM109.5°109.5°
CALCAMHB8109.5°109.5°
CAJCAICAB114.1°109.6°
CAICAJCAO108.7°109.4°
CAICAJHAJ107.1°109.5°
CAJCAIHAI107.6°109.6°
CAICABOAA121.7°119.5°
CAICABN121.9°121.0°
CABCAIHAI108.8°109.6°
CAJCAOCAN111.6°109.5°
CAJCAOHCA109.0°109.5°
CAJCAOHAO108.9°109.6°
CAOCAJHAJ106.8°109.5°
OCCA120.9°120.4°
CCAN110.2°109.2°
CCACB113.2°110.0°
CCAHA109.1°109.9°
NCAHCAG114.1°109.3°
CAHNCAB118.4°121.4°
CAHNCA118.6°119.2°
NCAHHAH108.3°109.5°
NCAHHB5108.3°109.5°
CAHCAGCAF107.2°112.1°
CAGCAHHAH108.3°109.5°
CAGCAHHB5108.3°109.5°
CAHCAGHAG110.0°108.9°
CAHCAGHB4110.0°109.0°
OAACABN115.4°119.5°
CABNCA122.3°119.4°
NCACB107.3°108.9°
NCAHA108.6°109.2°
CAMCANCAO111.0°109.5°
CANCAMHAM109.5°109.5°
CANCAMHB8109.5°109.4°
CAMCANHAN109.1°109.4°
CAMCANHB9109.1°109.5°
CACBCAF112.5°110.8°
CACBHB2108.7°109.2°
CACBHB1108.7°109.2°
CBCAHA108.4°109.6°
CAGCAFCB106.7°113.1°
CAFCAGHAG110.0°109.0°
CAFCAGHB4110.0°109.0°
CAGCAFHAF110.2°108.7°
CAGCAFHB3110.2°108.8°
CBCAFHAF110.2°108.7°
CBCAFHB3110.2°108.8°
CAFCBHB2108.7°109.2°
CAFCBHB1108.7°109.2°
CAOCANHAN109.1°109.5°
CAOCANHB9109.1°109.5°
CANCAOHCA108.9°109.4°
CANCAOHAO109.0°109.4°
HAKCAKHB6109.5°109.4°
HALCALHB7109.5°109.5°
HAMCAMHB8109.5°109.5°
HANCANHB9109.4°109.4°
HCACAOHAO109.5°109.5°
HAHCAHHB5109.4°109.5°
HAGCAGHB4109.5°108.9°
HAFCAFHB3109.5°108.6°
HB2CBHB1109.5°109.2°
HCFCBAHBA109.4°109.4°
HCECAZHAZ109.5°109.5°
HCDCAXHAX109.4°109.5°
HBJCBJHCI109.5°109.4°
HCCCATHAT109.5°109.5°
HCCCATHCB109.4°109.4°
HATCATHCB109.5°109.4°
HCHCBGHBG109.4°109.4°
HCHCBGHCG109.5°109.4°
HBGCBGHCG109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAWCBJOAVHBJ120.2°120.0°
CAWCBJOAVHCI120.2°120.1°
CBJCAWCBIHAW180.0°179.4°
CAWCBJOAVCAU56.7°41.9°
CBJCAWCBICAX178.5°179.7°
CBJCAWCBIHBI1.5°0.5°
CAWCBJHBJHCI119.4°119.9°
OAVCBJCAWCBI101.8°147.4°
CBJOAVCAUCAR114.1°107.5°
CBJOAVCAUCBE71.0°72.6°
OAVCBJCAWHAW78.2°33.2°
OAVCBJHBJHCI119.4°120.0°
CAWCBICAXHBI180.0°179.3°
CAWCBICAXOAY112.0°106.4°
CAWCBICAXHCD126.5°133.5°
CAWCBICAXHAX9.6°13.6°
CBICAWCBJHBJ138.0°27.3°
CBICAWCBJHCI18.4°92.5°
OAVCAUCAROAS4.7°1.5°
OAVCAUCARCBE174.8°179.9°
OAVCAUCBEOBF3.7°1.5°
OAVCAUCARCAQ179.0°178.6°
OAVCAUCBECBH179.6°178.6°
CAUOAVCBJHBJ176.9°78.1°
CAUOAVCBJHCI63.5°161.9°
CBICAXOAYHCD121.5°120.1°
CBICAXOAYHAX121.5°120.0°
CBICAXOAYCAZ68.3°107.5°
CBICAXHCDHAX115.1°119.8°
CAXCBICAWHAW1.5°0.3°
CAXOAYCAZCBA172.5°156.6°
CAXOAYCAZHCE53.3°36.8°
CAXOAYCAZHAZ68.4°83.5°
OAYCAXHCDHAX115.1°119.9°
OAYCAXCBIHBI68.0°74.3°
CATOASCARCAU177.7°180.0°
CATOASCARCAQ6.2°0.1°
OASCATHCCHAT120.0°120.1°
OASCATHCCHCB120.0°120.0°
OASCATHATHCB120.0°120.0°
OASCARCAUCAQ176.3°180.0°
OASCARCAUCBE179.5°178.4°
OASCARCAQCAP177.8°179.8°
CAROASCATHCC180.0°180.0°
CAROASCATHAT60.0°59.9°
CAROASCATHCB60.0°60.1°
OASCARCAQHAQ2.2°0.2°
CARCAUCBEOBF178.7°178.4°
CARCAUCBECBH4.6°1.5°
CAUCARCAQCAP1.9°0.2°
CAUCARCAQHAQ178.1°179.9°
CAUCBEOBFCBH176.5°179.9°
CAUCBEOBFCBG170.5°180.0°
CBECAUCARCAQ4.2°1.6°
CAUCBECBHCAP3.0°0.1°
CAUCBECBHHBH177.0°179.9°
OBFCBECBHCAP179.4°179.9°
OBFCBECBHHBH0.6°0.1°
CBEOBFCBGHCH180.0°60.1°
CBEOBFCBGHBG60.0°59.9°
CBEOBFCBGHCG60.0°180.0°
CBGOBFCBECBH13.0°0.0°
OBFCBGHCHHBG120.0°120.0°
OBFCBGHCHHCG120.0°120.0°
OBFCBGHBGHCG120.0°120.1°
CARCAQCAPHAQ180.0°180.0°
CARCAQCAPCBH0.2°1.3°
CARCAQCAPCAI176.4°178.1°
CBECBHCAPCAQ0.8°1.4°
CBECBHCAPHBH180.0°180.0°
CBECBHCAPCAI175.8°178.1°
OAYCAZCBAHCE119.2°119.9°
OAYCAZCBAHAZ119.2°120.0°
OAYCAZCBAOBB86.3°113.3°
OAYCAZCBAHCF33.2°6.7°
OAYCAZCBAHBA154.2°126.6°
OAYCAZHCEHAZ122.4°120.3°
CAZOAYCAXHCD170.2°132.4°
CAZOAYCAXHAX53.2°12.5°
CAZCBAOBBHCF119.5°120.0°
CAZCBAOBBHBA119.5°120.1°
CAZCBAOBBC176.1°117.8°
CAZCBAHCFHBA121.5°119.9°
CBACAZHCEHAZ122.4°120.1°
CAQCAPCBHCAI176.5°179.4°
CAQCAPCAICAJ74.8°132.5°
CAQCAPCAICAB50.3°107.8°
CAQCAPCAIHAI167.9°12.0°
CAQCAPCBHHBH179.2°178.6°
CBHCAPCAICAJ101.7°48.1°
CBHCAPCAICAB133.2°71.6°
CBHCAPCAIHAI15.6°168.5°
CBHCAPCAQHAQ179.8°178.7°
CBAOBBCO8.0°1.0°
CBAOBBCCA170.6°179.0°
OBBCBAHCFHBA121.6°120.0°
OBBCBACAZHCE154.6°126.8°
OBBCBACAZHAZ32.9°6.7°
CAPCAICAJCAK41.3°38.0°
CAPCAICAJCAB121.4°119.1°
CAPCAICAJHAI117.8°120.6°
CAPCAICABHAI117.3°119.9°
CAPCAICAJCAO167.6°82.0°
CAPCAICABOAA103.3°9.4°
CAPCAICABN88.4°170.6°
CAPCAICAJHAJ77.4°158.0°
CAICAPCAQHAQ3.6°1.9°
CAICAPCBHHBH4.3°2.0°
OBBCOCA178.5°180.0°
OBBCCAN1.7°76.6°
OBBCCACB118.3°164.0°
OBBCCAHA120.9°43.2°
COBBCBAHCF56.6°122.2°
COBBCBAHBA64.4°2.3°
CALCAKCAJHAK119.9°120.0°
CALCAKCAJHB6119.9°120.0°
CAKCALCAMHAL120.9°120.0°
CAKCALCAMHB7120.9°120.0°
CALCAKCAJCAI174.7°179.9°
CALCAKCAJCAO50.2°60.0°
CAKCALCAMCAN60.2°60.0°
CALCAKHAKHB6120.4°120.0°
CAKCALHALHB7117.3°120.0°
CAKCALCAMHAM179.8°180.0°
CAKCALCAMHB859.8°60.0°
CALCAKCAJHAJ66.6°60.0°
CAJCAKCALCAM56.2°60.0°
CAKCAJCAICAO126.3°119.9°
CAKCAJCAIHAJ118.7°120.1°
CAKCAJCAICAB162.7°81.2°
CAKCAJCAOHAJ117.0°120.0°
CAKCAJCAOCAN51.6°60.0°
CAJCAKHAKHB6120.4°120.0°
CAJCAKCALHAL64.7°60.0°
CAJCAKCALHB7177.1°180.0°
CAKCAJCAOHCA68.7°180.0°
CAKCAJCAOHAO172.0°60.0°
CAKCAJCAIHAI76.4°158.5°
CALCAMCANHAM119.9°120.1°
CALCAMCANHB8120.0°119.9°
CALCAMCANCAO57.2°59.9°
CAMCALCAKHAK63.7°60.0°
CAMCALCAKHB6176.1°180.0°
CAMCALHALHB7117.2°120.0°
CALCAMHAMHB8120.1°120.0°
CALCAMCANHAN63.1°60.1°
CALCAMCANHB9177.4°180.0°
CAJCAICABHAI120.2°120.3°
CAICAJCAOHAJ115.3°120.0°
CAJCAICABOAA19.2°110.4°
CAJCAICABN149.1°69.6°
CAICAJCAOCAN179.3°180.0°
CAICAJCAKHAK54.8°59.9°
CAICAJCAKHB665.4°60.0°
CAICAJCAOHCA59.0°60.1°
CAICAJCAOHAO60.3°60.0°
CABCAICAJCAO71.0°158.9°
CAICABNCAH12.2°1.8°
CAICABOAAN169.1°180.0°
CAICABNCA177.6°177.7°
CABCAICAJHAJ44.0°38.9°
CAJCAOCANCAM54.7°60.0°
CAJCAOCANHCA120.3°120.0°
CAJCAOCANHAO120.3°120.1°
CAOCAJCAKHAK69.6°60.0°
CAOCAJCAKHB6170.1°180.0°
CAJCAOCANHAN65.6°60.0°
CAJCAOCANHB9174.9°180.0°
CAJCAOHCAHAO119.0°120.1°
CAOCAJCAIHAI49.8°38.6°
OCCAN176.9°103.4°
OCCACB63.0°16.0°
OCCAHA57.7°136.8°
CCANCAH81.4°135.0°
CCANCAB88.7°44.5°
CCANCB123.6°120.1°
CCANHA119.5°120.2°
CCACBHA121.2°120.9°
CCACBCAF65.9°178.6°
CCACBHB254.6°61.1°
CCACBHB1173.7°58.3°
NCAHCAGHAH120.7°120.0°
NCAHCAGHB5120.7°120.0°
CAHNCABOAA178.7°178.2°
CAHNCABCA170.1°179.5°
CAHNCACB42.1°14.8°
NCAHCAGCAF51.2°56.1°
NCAHHAHHB5117.9°120.1°
NCAHCAGHAG68.5°64.6°
NCAHCAGHB4170.8°176.8°
CAHNCAHA159.1°104.8°
CAGCAHNCAB146.7°138.8°
CAGCAHNCA42.8°41.7°
CAHCAGCAFHAG119.7°120.6°
CAHCAGCAFHB4119.6°120.7°
CAHCAGCAFCB63.5°13.4°
CAGCAHHAHHB5117.9°120.0°
CAHCAGHAGHB4121.0°118.7°
CAHCAGCAFHAF177.0°134.3°
CAHCAGCAFHB356.1°107.6°
OAACABNCA8.6°2.3°
OAACABCAIHAI139.4°129.3°
CABNCACB147.8°164.7°
NCABCAIHAI28.9°50.7°
CABNCAHHAH26.0°18.9°
CABNCAHHB592.6°101.2°
CABNCAHA30.8°75.7°
NCACBHA117.1°119.4°
NCACBCAF55.8°58.9°
CANCAHHAH163.5°161.6°
CANCAHHB578.0°78.3°
NCACBHB2176.3°179.3°
NCACBHB164.6°61.4°
CAMCANCAOHAN120.2°119.9°
CAMCANCAOHB9120.2°120.0°
CANCAMCALHAL60.7°60.1°
CANCAMCALHB7178.9°179.9°
CANCAMHAMHB8120.1°120.0°
CAMCANHANHB9119.3°119.9°
CAMCANCAOHCA65.7°180.0°
CAMCANCAOHAO175.0°60.1°
CACBCAFCAG69.6°43.9°
CACBCAFHB2120.5°120.4°
CACBCAFHB1120.4°120.3°
CACBCAFHAF170.8°77.0°
CACBCAFHB350.0°164.9°
CACBHB2HB1118.6°119.3°
CAGCAFCBHAF119.6°120.9°
CAGCAFCBHB3119.6°121.0°
CAFCAGCAHHAH171.9°176.1°
CAFCAGCAHHB569.5°63.9°
CAFCAGHAGHB4121.0°118.8°
CAGCAFHAFHB3121.3°118.2°
CAGCAFCBHB2169.9°164.3°
CAGCAFCBHB150.9°76.4°
CBCAFCAGHAG56.2°107.2°
CBCAFCAGHB4176.9°134.1°
CBCAFHAFHB3121.3°118.2°
CAFCBHB2HB1118.6°119.4°
CAFCBCAHA173.0°60.5°
CAOCANCAMHAM177.1°180.0°
CAOCANCAMHB862.8°60.0°
CAOCANHANHB9119.3°120.1°
CANCAOHCAHAO119.0°119.9°
CANCAOCAJHAJ65.4°60.0°
HAKCAKCALHAL175.4°180.0°
HAKCAKCALHB757.2°60.0°
HAKCAKCAJHAJ173.6°180.0°
HB6CAKCALHAL55.2°60.0°
HB6CAKCALHB763.1°60.0°
HB6CAKCAJHAJ53.3°60.0°
HALCALCAMHAM59.3°60.0°
HALCALCAMHB8179.4°180.0°
HB7CALCAMHAM58.9°60.0°
HB7CALCAMHB861.2°60.0°
HAMCAMCANHAN56.9°60.0°
HAMCAMCANHB962.6°59.9°
HB8CAMCANHAN177.0°180.0°
HB8CAMCANHB957.5°60.1°
HANCANCAOHCA174.1°60.0°
HANCANCAOHAO54.8°180.0°
HB9CANCAOHCA54.6°60.0°
HB9CANCAOHAO64.8°60.0°
HCACAOCAJHAJ174.3°60.0°
HAOCAOCAJHAJ54.9°180.0°
HAJCAJCAIHAI164.8°81.4°
HAHCAHCAGHAG52.2°55.4°
HAHCAHCAGHB468.5°63.3°
HB5CAHCAGHAG170.8°175.5°
HB5CAHCAGHB450.1°56.8°
HAGCAGCAFHAF63.4°13.7°
HAGCAGCAFHB3175.8°131.8°
HB4CAGCAFHAF57.4°105.0°
HB4CAGCAFHB363.5°13.1°
HAFCAFCBHB250.4°43.3°
HAFCAFCBHB168.7°162.7°
HB3CAFCBHB270.5°74.8°
HB3CAFCBHB1170.4°44.6°
HB2CBCAHA66.6°59.9°
HB1CBCAHA52.5°179.2°
HCFCBACAZHCE85.9°113.2°
HCFCBACAZHAZ152.4°126.7°
HBACBACAZHCE35.1°6.7°
HBACBACAZHAZ86.6°113.4°
HCDCAXCBIHBI53.5°45.7°
HAXCAXCBIHBI170.5°165.6°
HBICBICAWHAW178.5°178.9°
HAWCAWCBJHBJ42.0°153.3°
HAWCAWCBJHCI161.6°86.9°
HCCCATHATHCB120.0°119.9°
HCHCBGHBGHCG120.0°119.9°

251801

PDB entries from 2026-04-08

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