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IRE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAOCALsing1.53Å1.54Å
CAONBEsing1.47Å1.50Å
CAOHAO1sing1.09Å1.10Å
CAOHAO2sing1.09Å1.10Å
CALOAUsing1.43Å1.47Å
CALHAL1sing1.09Å1.10Å
CALHAL2sing1.09Å1.10Å
OAUCAMsing1.43Å1.47Å
CAMCAPsing1.53Å1.54Å
CAMHAM1sing1.09Å1.10Å
CAMHAM2sing1.09Å1.10Å
CAPNBEsing1.47Å1.50Å
CAPHAP1sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
NBECANsing1.47Å1.48Å
CANCAJsing1.53Å1.54Å
CANHAN1sing1.09Å1.10Å
CANHAN2sing1.09Å1.10Å
CAJCAKsing1.53Å1.55Å
CAJHAJ1sing1.09Å1.10Å
CAJHAJ2sing1.09Å1.10Å
CAKOAVsing1.43Å1.47Å
CAKHAK1sing1.09Å1.10Å
CAKHAK2sing1.09Å1.10Å
OAVCBAsing1.36Å1.38Å
CBACAZdoub1.40Å1.39ÅAromatic
CBACAIsing1.37Å1.40ÅAromatic
CAZCAHsing1.38Å1.40ÅAromatic
CAZOATsing1.36Å1.38Å
CAHC4doub1.40Å1.39ÅAromatic
CAHHAHsing1.08Å1.08Å
OATCAAsing1.43Å1.44Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CAAHAA3sing1.09Å1.10Å
CAIC5doub1.40Å1.39ÅAromatic
CAIHAIsing1.08Å1.08Å
C5C4sing1.42Å1.38ÅAromatic
C5C6sing1.42Å1.39ÅAromatic
C4N3sing1.34Å1.34ÅAromatic
N3C2doub1.31Å1.33ÅAromatic
C2N1sing1.32Å1.31ÅAromatic
C2H2sing1.08Å1.08Å
N1C6doub1.33Å1.35ÅAromatic
C6NASsing1.38Å1.33Å
NASCAYsing1.40Å1.33Å
CAYCAGdoub1.39Å1.39ÅAromatic
CAYCAEsing1.39Å1.39ÅAromatic
CAGCAXsing1.38Å1.38ÅAromatic
CAGHAGsing1.08Å1.08Å
CAXCLsing1.74Å1.72Å
CAXCAWdoub1.39Å1.39ÅAromatic
CAWFABsing1.35Å1.35Å
CAWCADsing1.38Å1.40ÅAromatic
CADCAEdoub1.38Å1.40ÅAromatic
CADHADsing1.08Å1.08Å
CAEHAEsing1.08Å1.08Å
NASH1sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CALCAONBE112.7°109.2°
CALCAOHAO1108.7°109.5°
CALCAOHAO2108.7°109.5°
CAOCALOAU108.2°109.3°
CAOCALHAL1109.8°109.5°
CAOCALHAL2109.8°109.5°
NBECAOHAO1108.7°109.4°
NBECAOHAO2108.7°109.5°
CAONBECAP117.8°110.7°
CAONBECAN106.1°111.0°
HAO1CAOHAO2109.5°109.6°
OAUCALHAL1109.8°109.5°
OAUCALHAL2109.8°109.5°
CALOAUCAM112.9°113.7°
HAL1CALHAL2109.5°109.5°
OAUCAMCAP112.8°109.3°
OAUCAMHAM1108.7°109.5°
OAUCAMHAM2108.6°109.5°
CAPCAMHAM1108.6°109.5°
CAPCAMHAM2108.6°109.5°
CAMCAPNBE113.2°109.3°
CAMCAPHAP1108.5°109.5°
CAMCAPHAP2108.5°109.5°
HAM1CAMHAM2109.5°109.6°
NBECAPHAP1108.5°109.5°
NBECAPHAP2108.5°109.5°
CAPNBECAN106.6°111.0°
HAP1CAPHAP2109.5°109.5°
NBECANCAJ112.5°109.5°
NBECANHAN1108.7°109.4°
NBECANHAN2108.7°109.5°
CAJCANHAN1108.7°109.5°
CAJCANHAN2108.7°109.5°
CANCAJCAK109.9°109.5°
CANCAJHAJ1109.4°109.5°
CANCAJHAJ2109.3°109.4°
HAN1CANHAN2109.5°109.5°
CAKCAJHAJ1109.4°109.5°
CAKCAJHAJ2109.4°109.5°
CAJCAKOAV115.3°109.5°
CAJCAKHAK1108.0°109.5°
CAJCAKHAK2108.0°109.5°
HAJ1CAJHAJ2109.5°109.5°
OAVCAKHAK1108.0°109.4°
OAVCAKHAK2108.0°109.5°
CAKOAVCBA116.1°117.0°
HAK1CAKHAK2109.5°109.5°
OAVCBACAZ117.6°119.6°
OAVCBACAI122.4°119.6°
CAZCBACAI119.9°120.7°
CBACAZCAH118.9°120.7°
CBACAZOAT118.8°119.7°
CBACAIC5120.7°119.7°
CBACAIHAI119.7°120.1°
CAHCAZOAT122.3°119.6°
CAZCAHC4120.7°119.5°
CAZCAHHAH119.7°120.2°
CAZOATCAA116.7°117.0°
C4CAHHAH119.6°120.3°
CAHC4C5120.5°119.5°
CAHC4N3120.6°121.8°
OATCAAHAA1109.5°109.5°
OATCAAHAA2109.4°109.4°
OATCAAHAA3109.4°109.5°
HAA1CAAHAA2109.5°109.4°
HAA1CAAHAA3109.5°109.5°
HAA2CAAHAA3109.5°109.5°
C5CAIHAI119.7°120.2°
CAIC5C4119.3°119.9°
CAIC5C6123.3°121.9°
C4C5C6117.4°118.2°
C5C4N3118.9°118.7°
C5C6N1120.3°118.2°
C5C6NAS120.5°120.9°
C4N3C2122.4°120.4°
N3C2N1120.4°123.0°
N3C2H2119.8°118.5°
N1C2H2119.8°118.5°
C2N1C6120.6°121.5°
N1C6NAS119.1°120.9°
C6NASCAY122.2°119.9°
C6NASH1118.9°120.0°
NASCAYCAG119.2°120.1°
NASCAYCAE121.1°120.0°
CAYNASH1118.9°120.0°
CAGCAYCAE119.6°119.9°
CAYCAGCAX120.3°120.0°
CAYCAGHAG119.8°120.0°
CAYCAECAD119.9°120.0°
CAYCAEHAE120.0°120.0°
CAXCAGHAG119.9°120.1°
CAGCAXCL118.7°120.0°
CAGCAXCAW120.8°120.0°
CLCAXCAW120.5°120.0°
CAXCAWFAB119.2°120.0°
CAXCAWCAD119.3°120.1°
FABCAWCAD121.5°119.9°
CAWCADCAE120.1°120.0°
CAWCADHAD120.0°120.0°
CAECADHAD120.0°120.0°
CADCAEHAE120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CALCAONBEHAO1120.5°119.9°
CALCAONBEHAO2120.5°119.9°
CALCAOHAO1HAO2118.6°120.1°
CAOCALOAUHAL1119.8°119.9°
CAOCALOAUHAL2119.8°120.0°
CAOCALHAL1HAL2120.6°120.1°
CAOCALOAUCAM63.4°58.7°
CALCAONBECAP41.3°58.6°
CALCAONBECAN160.6°177.6°
NBECAOHAO1HAO2118.5°120.2°
NBECAOCALOAU53.6°56.9°
NBECAOCALHAL1173.4°176.8°
NBECAOCALHAL266.2°63.1°
CAONBECAPCAM34.2°58.6°
CAONBECAPCAN119.0°123.7°
CAONBECAPHAP186.4°61.3°
CAONBECAPHAP2154.7°178.6°
CAONBECANCAJ118.4°170.0°
CAONBECANHAN12.1°50.1°
CAONBECANHAN2121.2°69.9°
HAO1CAOCALOAU174.1°176.7°
HAO1CAOCALHAL166.2°63.3°
HAO1CAOCALHAL254.3°56.8°
HAO1CAONBECAP161.8°178.5°
HAO1CAONBECAN78.9°57.8°
HAO2CAOCALOAU66.9°63.0°
HAO2CAOCALHAL152.9°56.9°
HAO2CAOCALHAL2173.3°177.0°
HAO2CAONBECAP79.1°61.3°
HAO2CAONBECAN40.1°62.4°
OAUCALHAL1HAL2120.6°120.1°
CALOAUCAMCAP57.8°58.6°
CALOAUCAMHAM1178.3°178.6°
CALOAUCAMHAM262.6°61.2°
HAL1CALOAUCAM176.8°178.6°
HAL2CALOAUCAM56.4°61.3°
OAUCAMCAPHAM1120.5°119.9°
OAUCAMCAPHAM2120.5°119.9°
OAUCAMHAM1HAM2118.5°120.1°
OAUCAMCAPNBE40.8°56.8°
OAUCAMCAPHAP179.7°63.1°
OAUCAMCAPHAP2161.4°176.8°
CAPCAMHAM1HAM2118.5°120.1°
CAMCAPNBEHAP1120.6°119.9°
CAMCAPNBEHAP2120.6°120.0°
CAMCAPHAP1HAP2118.3°120.1°
CAMCAPNBECAN153.2°177.6°
HAM1CAMCAPNBE161.3°176.8°
HAM1CAMCAPHAP140.8°56.8°
HAM1CAMCAPHAP278.1°63.3°
HAM2CAMCAPNBE79.7°63.1°
HAM2CAMCAPHAP1159.8°177.0°
HAM2CAMCAPHAP240.9°56.9°
NBECAPHAP1HAP2118.3°120.1°
CAPNBECANCAJ115.3°66.4°
CAPNBECANHAN1124.3°173.6°
CAPNBECANHAN25.2°53.7°
HAP1CAPNBECAN32.6°62.4°
HAP2CAPNBECAN86.3°57.7°
NBECANCAJHAN1120.4°120.0°
NBECANCAJHAN2120.4°120.0°
NBECANHAN1HAN2118.6°120.0°
NBECANCAJCAK169.6°180.0°
NBECANCAJHAJ149.5°60.0°
NBECANCAJHAJ270.4°60.0°
CAJCANHAN1HAN2118.6°120.0°
CANCAJCAKHAJ1120.1°120.0°
CANCAJCAKHAJ2120.0°120.0°
CANCAJHAJ1HAJ2119.8°120.0°
CANCAJCAKOAV89.2°180.0°
CANCAJCAKHAK131.6°60.0°
CANCAJCAKHAK2150.0°60.0°
HAN1CANCAJCAK70.0°60.0°
HAN1CANCAJHAJ1169.9°180.0°
HAN1CANCAJHAJ250.1°60.0°
HAN2CANCAJCAK49.1°60.0°
HAN2CANCAJHAJ170.9°60.0°
HAN2CANCAJHAJ2169.2°180.0°
CAKCAJHAJ1HAJ2119.8°120.0°
CAJCAKOAVHAK1120.8°120.0°
CAJCAKOAVHAK2120.8°120.0°
CAJCAKHAK1HAK2117.4°120.0°
CAJCAKOAVCBA148.7°180.0°
HAJ1CAJCAKOAV150.7°60.0°
HAJ1CAJCAKHAK188.4°180.0°
HAJ1CAJCAKHAK229.9°60.0°
HAJ2CAJCAKOAV30.8°60.0°
HAJ2CAJCAKHAK1151.7°59.9°
HAJ2CAJCAKHAK290.0°180.0°
OAVCAKHAK1HAK2117.4°120.0°
CAKOAVCBACAZ141.3°180.0°
CAKOAVCBACAI40.0°0.3°
HAK1CAKOAVCBA90.5°60.0°
HAK2CAKOAVCBA27.8°60.0°
OAVCBACAZCAI178.7°179.7°
OAVCBACAZCAH179.7°179.9°
OAVCBACAZOAT1.2°0.1°
OAVCBACAIC5179.3°180.0°
OAVCBACAIHAI0.7°0.0°
CBACAZCAHOAT179.1°179.9°
CBACAZCAHC40.7°0.1°
CBACAZCAHHAH179.3°180.0°
CBACAZOATCAA139.2°180.0°
CAZCBACAIC50.7°0.3°
CAZCBACAIHAI179.3°179.7°
CAICBACAZCAH1.0°0.3°
CAICBACAZOAT179.9°179.8°
CBACAIC5HAI180.0°180.0°
CBACAIC5C40.1°0.1°
CBACAIC5C6179.3°180.0°
CAZCAHC4HAH180.0°179.9°
CAHCAZOATCAA41.7°0.1°
CAZCAHC4C50.1°0.1°
CAZCAHC4N3179.6°180.0°
OATCAZCAHC4179.8°180.0°
OATCAZCAHHAH0.2°0.1°
CAZOATCAAHAA1180.0°59.9°
CAZOATCAAHAA260.0°60.0°
CAZOATCAAHAA360.0°180.0°
CAHC4C5CAI0.2°0.2°
CAHC4C5N3179.7°179.9°
CAHC4C5C6179.6°179.8°
CAHC4N3C2179.4°179.9°
HAHCAHC4C5179.9°179.7°
HAHCAHC4N30.4°0.1°
OATCAAHAA1HAA2120.0°119.9°
OATCAAHAA1HAA3120.0°120.1°
OATCAAHAA2HAA3120.0°120.0°
HAA1CAAHAA2HAA3120.0°120.0°
CAIC5C4C6179.4°179.9°
CAIC5C4N3179.9°180.0°
CAIC5C6N1179.7°179.4°
CAIC5C6NAS0.6°0.0°
HAICAIC5C4179.9°179.9°
HAICAIC5C60.7°0.0°
C5C4N3C20.9°0.2°
C4C5C6N10.3°0.6°
C4C5C6NAS178.7°179.9°
C6C5C4N30.7°0.1°
C5C6N1C20.1°0.9°
C5C6N1NAS179.0°179.5°
C5C6NASCAY173.3°174.2°
C5C6NASH16.7°5.8°
C4N3C2N10.6°0.0°
C4N3C2H2179.4°180.0°
N3C2N1H2180.0°179.9°
N3C2N1C60.2°0.5°
C2N1C6NAS179.0°179.7°
H2C2N1C6179.8°179.4°
N1C6NASCAY7.6°6.4°
N1C6NASH1172.4°173.6°
C6NASCAYH1180.0°180.0°
C6NASCAYCAG55.2°34.5°
C6NASCAYCAE126.4°145.7°
NASCAYCAGCAE178.4°179.8°
NASCAYCAGCAX178.9°180.0°
NASCAYCAGHAG1.0°0.0°
NASCAYCAECAD179.1°179.8°
NASCAYCAEHAE1.0°0.1°
CAYCAGCAXHAG180.0°180.0°
CAYCAGCAXCL179.8°180.0°
CAYCAGCAXCAW0.1°0.0°
CAGCAYCAECAD0.7°0.4°
CAGCAYCAEHAE179.3°179.7°
CAGCAYNASH1124.8°145.5°
CAECAYCAGCAX0.5°0.2°
CAECAYCAGHAG179.4°179.8°
CAYCAECADCAW0.4°0.4°
CAYCAECADHAE180.0°179.9°
CAYCAECADHAD179.6°179.8°
CAECAYNASH153.6°34.3°
CAGCAXCLCAW179.9°180.0°
CAGCAXCAWFAB180.0°179.9°
CAGCAXCAWCAD0.2°0.0°
HAGCAGCAXCL0.2°0.0°
HAGCAGCAXCAW179.9°180.0°
CLCAXCAWFAB0.1°0.0°
CLCAXCAWCAD179.9°180.0°
CAXCAWFABCAD179.8°179.9°
CAXCAWCADCAE0.0°0.2°
CAXCAWCADHAD180.0°180.0°
FABCAWCADCAE179.8°179.8°
FABCAWCADHAD0.2°0.1°
CAWCADCAEHAD180.0°179.8°
CAWCADCAEHAE179.6°179.7°
HADCADCAEHAE0.4°0.1°

224931

PDB entries from 2024-09-11

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