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A1IN4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAWOAVsing1.43Å1.49Å
CAWCAXsing1.53Å1.61Å
OAVCAUsing1.36Å1.36Å
CAXCAYsing1.53Å1.54Å
OBFCBGsing1.43Å1.43Å
OBFCBEsing1.36Å1.42Å
CAUCBEdoub1.39Å1.39ÅAromatic
CAUCARsing1.39Å1.38ÅAromatic
OASCARsing1.36Å1.37Å
OASCATsing1.43Å1.45Å
CAYCAZsing1.53Å1.55Å
CBECBHsing1.39Å1.37ÅAromatic
CARCAQdoub1.39Å1.39ÅAromatic
CAZCBAsing1.53Å1.54Å
CBHCAPdoub1.39Å1.43ÅAromatic
CBAOBBsing1.45Å1.44Å
CAQCAPsing1.38Å1.41ÅAromatic
CAPCAIsing1.51Å1.45Å
OBBCsing1.34Å1.37Å
CAKCALsing1.53Å1.50Å
CAKCAJsing1.53Å1.55Å
CALCAMsing1.53Å1.54Å
CAICAJsing1.53Å1.57Å
CAICABsing1.51Å1.46Å
COdoub1.21Å1.22Å
CCAsing1.51Å1.40Å
CAJCAOsing1.53Å1.50Å
CABOAAdoub1.21Å1.25Å
CABNsing1.34Å1.39Å
CAHNsing1.47Å1.53Å
CAHCAGsing1.52Å1.49Å
NCAsing1.47Å1.54Å
CAMCANsing1.53Å1.57Å
CACBsing1.54Å1.56Å
CAGCAFsing1.52Å1.50Å
CAFCBsing1.53Å1.55Å
CAOCANsing1.53Å1.52Å
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
CBAHCHsing1.09Å1.10Å
CBAHBAsing1.09Å1.10Å
CAZHCGsing1.09Å1.10Å
CAZHAZsing1.09Å1.10Å
CAYHCFsing1.09Å1.10Å
CAYHAYsing1.09Å1.10Å
CAXHCEsing1.09Å1.10Å
CAXHAXsing1.09Å1.10Å
CAWHCDsing1.09Å1.10Å
CAWHAWsing1.09Å1.10Å
CATHCCsing1.09Å1.10Å
CATHATsing1.09Å1.10Å
CATHCBsing1.09Å1.10Å
CAQHAQsing1.08Å1.08Å
CBHHBHsing1.08Å1.08Å
CBGHCJsing1.09Å1.10Å
CBGHBGsing1.09Å1.10Å
CBGHCIsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAVCAWCAX112.0°109.3°
CAWOAVCAU114.2°116.0°
OAVCAWHCD108.8°109.6°
OAVCAWHAW108.8°109.5°
CAWCAXCAY116.3°109.6°
CAWCAXHCE107.8°109.5°
CAWCAXHAX107.7°109.5°
CAXCAWHCD108.9°109.5°
CAXCAWHAW108.8°109.4°
OAVCAUCBE118.6°119.6°
OAVCAUCAR117.6°120.7°
CAXCAYCAZ116.9°109.4°
CAXCAYHCF107.6°109.5°
CAXCAYHAY107.6°109.5°
CAYCAXHCE107.7°109.4°
CAYCAXHAX107.7°109.5°
CBGOBFCBE116.3°117.0°
OBFCBGHCJ109.5°109.4°
OBFCBGHBG109.5°109.5°
OBFCBGHCI109.4°109.5°
OBFCBECAU116.4°120.1°
OBFCBECBH126.1°120.0°
CBECAUCAR123.7°119.7°
CAUCBECBH117.5°119.9°
CAUCAROAS113.7°120.0°
CAUCARCAQ118.8°120.1°
CAROASCAT117.3°117.0°
OASCARCAQ127.5°120.0°
OASCATHCC109.5°109.4°
OASCATHAT109.4°109.5°
OASCATHCB109.5°109.4°
CAYCAZCBA108.6°109.7°
CAYCAZHCG109.7°109.5°
CAYCAZHAZ109.7°109.4°
CAZCAYHCF107.6°109.5°
CAZCAYHAY107.6°109.5°
CBECBHCAP121.4°120.0°
CBECBHHBH119.3°120.0°
CARCAQCAP119.9°120.0°
CARCAQHAQ120.1°120.0°
CAZCBAOBB103.9°109.7°
CAZCBAHCH110.8°109.4°
CAZCBAHBA110.9°109.4°
CBACAZHCG109.7°109.4°
CBACAZHAZ109.7°109.4°
CBHCAPCAQ118.6°120.2°
CBHCAPCAI120.9°118.8°
CAPCBHHBH119.3°120.0°
CBAOBBC116.4°117.3°
OBBCBAHCH110.8°109.4°
OBBCBAHBA110.8°109.5°
CAQCAPCAI120.4°120.9°
CAPCAQHAQ120.0°120.0°
CAPCAICAJ116.4°109.9°
CAPCAICAB108.3°107.2°
CAPCAIHAI106.8°110.0°
OBBCO121.3°120.2°
OBBCCA115.4°119.7°
CALCAKCAJ111.1°109.4°
CAKCALCAM118.4°109.5°
CALCAKHAK109.1°109.5°
CALCAKHB6109.1°109.4°
CAKCALHAL107.2°109.5°
CAKCALHB7107.2°109.5°
CAKCAJCAI109.0°109.5°
CAKCAJCAO112.6°109.5°
CAJCAKHAK109.1°109.5°
CAJCAKHB6109.1°109.5°
CAKCAJHAJ108.0°109.5°
CALCAMCAN109.4°109.4°
CAMCALHAL107.2°109.4°
CAMCALHB7107.2°109.4°
CALCAMHAM109.5°109.5°
CALCAMHB8109.5°109.4°
CAJCAICAB112.7°109.9°
CAICAJCAO110.7°109.5°
CAICAJHAJ107.8°109.4°
CAJCAIHAI105.5°109.8°
CAICABOAA119.2°118.9°
CAICABN121.1°122.2°
CABCAIHAI106.6°110.0°
OCCA123.3°120.2°
CCAN108.6°108.7°
CCACB109.0°109.8°
CCAHA110.2°110.1°
CAJCAOCAN109.7°109.4°
CAJCAOHCA109.4°109.4°
CAJCAOHAO109.4°109.5°
CAOCAJHAJ108.6°109.5°
OAACABN119.7°118.9°
CABNCAH118.1°121.2°
CABNCA125.1°119.2°
NCAHCAG109.4°110.3°
CAHNCA115.5°119.6°
NCAHHAH109.5°109.4°
NCAHHB5109.5°109.3°
CAHCAGCAF107.4°112.1°
CAGCAHHAH109.5°109.3°
CAGCAHHB5109.5°109.3°
CAHCAGHAG110.0°109.0°
CAHCAGHB4110.0°108.9°
NCACB112.6°109.1°
NCAHA108.3°109.5°
CAMCANCAO112.5°109.5°
CANCAMHAM109.5°109.5°
CANCAMHB8109.5°109.5°
CAMCANHAN108.7°109.5°
CAMCANHB9108.7°109.4°
CACBCAF109.0°108.4°
CACBHB2109.6°109.7°
CACBHB1109.6°109.7°
CBCAHA108.1°109.6°
CAGCAFCB105.2°111.5°
CAFCAGHAG110.0°109.0°
CAFCAGHB4110.0°108.9°
CAGCAFHAF110.5°109.1°
CAGCAFHB3110.6°109.1°
CBCAFHAF110.5°109.1°
CBCAFHB3110.5°109.1°
CAFCBHB2109.6°109.7°
CAFCBHB1109.6°109.7°
CAOCANHAN108.7°109.5°
CAOCANHB9108.7°109.5°
CANCAOHCA109.5°109.5°
CANCAOHAO109.4°109.5°
HAKCAKHB6109.5°109.5°
HALCALHB7109.4°109.5°
HAMCAMHB8109.4°109.5°
HANCANHB9109.5°109.4°
HCACAOHAO109.5°109.5°
HAHCAHHB5109.5°109.2°
HAGCAGHB4109.4°108.9°
HAFCAFHB3109.4°109.0°
HB2CBHB1109.5°109.7°
HCHCBAHBA109.5°109.5°
HCGCAZHAZ109.5°109.4°
HCFCAYHAY109.5°109.5°
HCECAXHAX109.5°109.3°
HCDCAWHAW109.5°109.6°
HCCCATHAT109.5°109.5°
HCCCATHCB109.5°109.4°
HATCATHCB109.5°109.5°
HCJCBGHBG109.5°109.5°
HCJCBGHCI109.4°109.4°
HBGCBGHCI109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAVCAWCAXHCD120.4°120.0°
OAVCAWCAXHAW120.4°119.9°
OAVCAWCAXCAY114.1°93.5°
CAWOAVCAUCBE70.9°79.4°
CAWOAVCAUCAR104.7°100.9°
OAVCAWCAXHCE6.9°146.4°
OAVCAWCAXHAX124.9°26.6°
OAVCAWHCDHAW118.8°120.1°
CAXCAWOAVCAU59.1°45.8°
CAWCAXCAYHCE121.0°120.1°
CAWCAXCAYHAX121.0°120.1°
CAWCAXCAYCAZ30.6°156.8°
CAWCAXCAYHCF151.7°36.8°
CAWCAXCAYHAY90.4°83.3°
CAWCAXHCEHAX116.9°119.9°
CAXCAWHCDHAW118.8°120.0°
OAVCAUCBEOBF2.7°2.5°
OAVCAUCBECAR175.4°179.7°
OAVCAUCAROAS3.3°2.8°
OAVCAUCBECBH177.3°177.6°
OAVCAUCARCAQ178.8°177.3°
CAUOAVCAWHCD179.5°74.2°
CAUOAVCAWHAW61.2°165.7°
CAXCAYCAZHCF121.1°120.0°
CAXCAYCAZHAY121.1°120.0°
CAXCAYCAZCBA165.3°155.8°
CAXCAYCAZHCG74.8°35.8°
CAXCAYCAZHAZ45.5°84.1°
CAXCAYHCFHAY116.6°120.1°
CAYCAXHCEHAX116.9°119.9°
CAYCAXCAWHCD125.5°26.5°
CAYCAXCAWHAW6.3°146.6°
CBGOBFCBECAU174.5°180.0°
CBGOBFCBECBH5.5°0.0°
OBFCBGHCJHBG120.0°120.0°
OBFCBGHCJHCI120.0°119.9°
OBFCBGHBGHCI120.0°120.0°
OBFCBECAUCBH180.0°180.0°
OBFCBECAUCAR178.1°177.2°
OBFCBECBHCAP179.7°179.9°
OBFCBECBHHBH0.3°0.0°
CBEOBFCBGHCJ180.0°180.0°
CBEOBFCBGHBG60.0°60.0°
CBEOBFCBGHCI60.0°60.1°
CBECAUCAROAS178.7°176.9°
CBECAUCARCAQ3.4°3.0°
CAUCBECBHCAP0.3°0.1°
CAUCBECBHHBH179.7°179.9°
CAUCAROASCAQ177.8°179.9°
CAUCAROASCAT169.6°180.0°
CARCAUCBECBH1.9°2.7°
CAUCARCAQCAP2.5°0.5°
CAUCARCAQHAQ177.5°179.5°
OASCARCAQCAP179.8°179.5°
CAROASCATHCC180.0°180.0°
CAROASCATHAT60.0°60.0°
CAROASCATHCB60.0°60.1°
OASCARCAQHAQ0.2°0.6°
CATOASCARCAQ8.2°0.1°
OASCATHCCHAT120.0°120.1°
OASCATHCCHCB120.0°119.9°
OASCATHATHCB120.0°120.0°
CAYCAZCBAHCG119.9°120.1°
CAYCAZCBAHAZ119.9°120.0°
CAYCAZCBAOBB115.6°90.9°
CAYCAZCBAHCH3.5°29.1°
CAYCAZCBAHBA125.3°149.0°
CAYCAZHCGHAZ120.4°119.9°
CAZCAYHCFHAY116.6°120.0°
CAZCAYCAXHCE90.4°83.1°
CAZCAYCAXHAX151.6°36.7°
CBECBHCAPHBH180.0°180.0°
CBECBHCAPCAQ0.9°2.7°
CBECBHCAPCAI177.7°176.0°
CARCAQCAPCBH0.5°2.4°
CARCAQCAPHAQ180.0°180.0°
CARCAQCAPCAI176.3°176.3°
CAZCBAOBBHCH119.1°120.0°
CAZCBAOBBHBA119.1°120.1°
CAZCBAOBBC176.2°100.3°
CAZCBAHCHHBA122.6°119.9°
CBACAZHCGHAZ120.4°119.9°
CBACAZCAYHCF44.3°84.2°
CBACAZCAYHAY73.6°35.8°
CBHCAPCAQCAI176.7°178.7°
CBHCAPCAICAJ71.8°57.9°
CBHCAPCAICAB56.3°61.5°
CBHCAPCAIHAI170.7°179.0°
CBHCAPCAQHAQ179.5°177.6°
CBAOBBCO14.9°2.2°
CBAOBBCCA165.1°177.7°
OBBCBAHCHHBA122.5°119.9°
OBBCBACAZHCG124.5°149.0°
OBBCBACAZHAZ4.3°29.1°
CAQCAPCAICAJ111.5°123.4°
CAQCAPCAICAB120.4°117.2°
CAQCAPCAIHAI5.9°2.3°
CAQCAPCBHHBH179.1°177.3°
CAPCAICAJCAK41.1°62.3°
CAPCAICAJCAB125.9°117.7°
CAPCAICAJHAI118.2°121.2°
CAPCAICABHAI114.6°119.6°
CAPCAICAJCAO165.4°177.7°
CAPCAICABOAA99.8°54.7°
CAPCAICABN82.5°125.2°
CAPCAICAJHAJ75.9°57.7°
CAICAPCAQHAQ3.7°3.7°
CAICAPCBHHBH2.3°3.9°
OBBCOCA179.9°180.0°
OBBCCAN3.5°85.9°
OBBCCACB119.5°154.8°
OBBCCAHA122.0°34.0°
COBBCBAHCH64.7°139.7°
COBBCBAHBA57.1°19.8°
CALCAKCAJHAK120.2°120.0°
CALCAKCAJHB6120.3°119.9°
CAKCALCAMHAL121.3°120.0°
CAKCALCAMHB7121.3°120.1°
CALCAKCAJCAI174.9°180.0°
CALCAKCAJCAO51.7°60.0°
CAKCALCAMCAN44.1°60.0°
CALCAKHAKHB6119.2°120.0°
CAKCALHALHB7115.9°120.1°
CAKCALCAMHAM164.1°180.0°
CAKCALCAMHB875.9°60.0°
CALCAKCAJHAJ68.2°60.0°
CAJCAKCALCAM44.9°60.0°
CAKCAJCAICAO124.3°120.0°
CAKCAJCAIHAJ117.0°120.0°
CAKCAJCAICAB167.1°180.0°
CAKCAJCAOHAJ119.6°120.1°
CAKCAJCAOCAN59.9°60.0°
CAJCAKHAKHB6119.3°120.0°
CAJCAKCALHAL76.4°60.0°
CAJCAKCALHB7166.2°180.0°
CAKCAJCAOHCA60.2°180.0°
CAKCAJCAOHAO179.9°60.0°
CAKCAJCAIHAI77.1°58.9°
CALCAMCANHAM120.0°120.0°
CALCAMCANHB8120.0°119.9°
CALCAMCANCAO50.1°60.0°
CAMCALCAKHAK75.3°60.0°
CAMCALCAKHB6165.2°180.0°
CAMCALHALHB7116.0°119.9°
CALCAMHAMHB8120.0°120.0°
CALCAMCANHAN70.3°60.1°
CALCAMCANHB9170.6°180.0°
CAJCAICABHAI115.2°121.0°
CAICAJCAOHAJ118.2°119.9°
CAJCAICABOAA30.4°64.7°
CAJCAICABN147.3°115.4°
CAICAJCAOCAN177.9°180.0°
CAICAJCAKHAK54.7°60.0°
CAICAJCAKHB664.8°60.1°
CAICAJCAOHCA62.0°60.0°
CAICAJCAOHAO57.9°60.0°
CABCAICAJCAO68.6°60.0°
CAICABOAAN177.7°179.9°
CAICABNCAH9.9°24.5°
CAICABNCA176.4°156.3°
CABCAICAJHAJ50.0°60.0°
OCCAN176.4°94.1°
OCCACB60.5°25.3°
OCCAHA57.9°146.0°
CCANCAB84.7°75.9°
CCANCAH82.1°104.9°
CCANCB120.9°119.7°
CCANHA119.7°120.3°
CCACBHA119.7°121.1°
CCACBCAF73.5°163.9°
CCACBHB246.5°76.3°
CCACBHB1166.6°44.2°
CAJCAOCANCAM59.6°60.0°
CAJCAOCANHCA120.0°119.9°
CAJCAOCANHAO120.0°120.0°
CAOCAJCAKHAK68.5°60.0°
CAOCAJCAKHB6172.0°180.0°
CAJCAOCANHAN60.9°60.0°
CAJCAOCANHB9180.0°180.0°
CAJCAOHCAHAO119.9°120.0°
CAOCAJCAIHAI47.3°61.1°
OAACABNCAH172.4°155.7°
OAACABNCA5.9°23.5°
OAACABCAIHAI145.6°174.3°
CABNCAHCA167.8°179.2°
CABNCAHCAG145.3°122.7°
CABNCACB154.5°164.3°
NCABCAIHAI32.1°5.6°
CABNCAHHAH25.3°2.4°
CABNCAHHB594.7°117.1°
CABNCAHA35.0°44.4°
NCAHCAGHAH119.9°120.3°
NCAHCAGHB5120.0°120.2°
CAHNCACB38.7°14.9°
NCAHCAGCAF65.2°32.6°
NCAHHAHHB5120.0°119.6°
NCAHCAGHAG54.5°88.1°
NCAHCAGHB4175.1°153.2°
CAHNCAHA158.2°134.8°
CAGCAHNCA46.9°56.5°
CAHCAGCAFHAG119.7°120.7°
CAHCAGCAFHB4119.7°120.6°
CAHCAGCAFCB75.4°24.6°
CAGCAHHAHHB5120.1°119.6°
CAHCAGHAGHB4120.9°118.7°
CAHCAGCAFHAF165.3°95.9°
CAHCAGCAFHB344.0°145.1°
NCACBHA119.6°119.8°
NCACBCAF47.2°44.9°
CANCAHHAH166.9°176.8°
CANCAHHB573.0°63.7°
NCACBHB2167.1°164.6°
NCACBHB172.7°74.8°
CAMCANCAOHAN120.4°120.0°
CAMCANCAOHB9120.5°120.0°
CANCAMCALHAL77.2°60.1°
CANCAMCALHB7165.4°180.0°
CANCAMHAMHB8120.0°120.0°
CAMCANHANHB9118.6°119.9°
CAMCANCAOHCA60.4°180.0°
CAMCANCAOHAO179.6°60.0°
CACBCAFCAG64.9°66.3°
CACBCAFHB2119.9°119.7°
CACBCAFHB1119.9°119.7°
CACBCAFHAF175.7°54.2°
CACBCAFHB354.4°173.1°
CACBHB2HB1120.2°120.6°
CAGCAFCBHAF119.3°120.5°
CAGCAFCBHB3119.4°120.5°
CAFCAGCAHHAH174.8°152.9°
CAFCAGCAHHB554.8°87.6°
CAFCAGHAGHB4121.0°118.7°
CAGCAFHAFHB3122.0°119.0°
CAGCAFCBHB2175.1°174.0°
CAGCAFCBHB155.0°53.4°
CBCAFCAGHAG44.3°145.3°
CBCAFCAGHB4164.9°96.0°
CBCAFHAFHB3122.0°119.0°
CAFCBHB2HB1120.2°120.5°
CAFCBCAHA166.8°74.9°
CAOCANCAMHAM170.2°180.0°
CAOCANCAMHB869.8°59.9°
CAOCANHANHB9118.6°120.0°
CANCAOHCAHAO119.9°120.0°
CANCAOCAJHAJ59.7°60.1°
HAKCAKCALHAL163.4°180.0°
HAKCAKCALHB746.0°60.0°
HAKCAKCAJHAJ171.6°179.9°
HB6CAKCALHAL43.9°60.0°
HB6CAKCALHB773.5°60.0°
HB6CAKCAJHAJ52.1°59.9°
HALCALCAMHAM42.8°60.0°
HALCALCAMHB8162.8°NaN°
HB7CALCAMHAM74.6°59.9°
HB7CALCAMHB845.4°60.1°
HAMCAMCANHAN49.7°59.9°
HAMCAMCANHB969.4°60.0°
HB8CAMCANHAN169.7°180.0°
HB8CAMCANHB950.6°60.1°
HANCANCAOHCA179.1°59.9°
HANCANCAOHAO59.2°180.0°
HB9CANCAOHCA60.0°60.1°
HB9CANCAOHAO60.0°60.0°
HCACAOCAJHAJ179.8°59.9°
HAOCAOCAJHAJ60.3°179.9°
HAJCAJCAIHAI165.9°178.9°
HAHCAHCAGHAG65.5°32.2°
HAHCAHCAGHB455.1°86.5°
HB5CAHCAGHAG174.5°151.6°
HB5CAHCAGHB464.9°33.0°
HAGCAGCAFHAF75.0°24.8°
HAGCAGCAFHB3163.7°94.1°
HB4CAGCAFHAF45.6°143.5°
HB4CAGCAFHB375.7°24.5°
HAFCAFCBHB255.8°65.5°
HAFCAFCBHB164.4°173.9°
HB3CAFCBHB265.5°53.4°
HB3CAFCBHB1174.4°67.1°
HB2CBCAHA73.3°44.8°
HB1CBCAHA46.9°165.3°
HCHCBACAZHCG116.3°91.0°
HCHCBACAZHAZ123.4°149.1°
HBACBACAZHCG5.4°28.9°
HBACBACAZHAZ114.8°90.9°
HCGCAZCAYHCF164.1°155.7°
HCGCAZCAYHAY46.3°84.2°
HAZCAZCAYHCF75.6°35.9°
HAZCAZCAYHAY166.6°155.9°
HCFCAYCAXHCE30.7°156.9°
HCFCAYCAXHAX87.3°83.3°
HAYCAYCAXHCE148.6°36.9°
HAYCAYCAXHAX30.5°156.7°
HCECAXCAWHCD113.5°93.6°
HCECAXCAWHAW127.2°26.5°
HAXCAXCAWHCD4.5°146.6°
HAXCAXCAWHAW114.7°93.3°
HCCCATHATHCB120.0°120.0°
HCJCBGHBGHCI120.0°120.0°

248335

PDB entries from 2026-01-28

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