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ODR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CABCAAsing1.53Å1.52Å
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CAAHAABsing1.09Å1.10Å
OACCABsing1.43Å1.45Å
CABHABsing1.09Å1.10Å
CABHABAsing1.09Å1.10Å
CADOACsing1.36Å1.36Å
CAECADdoub1.39Å1.38ÅAromatic
CADCAIsing1.39Å1.40ÅAromatic
CAFCAEsing1.38Å1.38ÅAromatic
CAEHAEsing1.08Å1.08Å
CAQCAFsing1.51Å1.55Å
CAFCAGdoub1.38Å1.40ÅAromatic
CAGCAHsing1.39Å1.41ÅAromatic
CAGHAGsing1.08Å1.08Å
CAHCAJsing1.49Å1.41Å
CAHCAIdoub1.39Å1.39ÅAromatic
CAIHAIsing1.08Å1.08Å
CAOCAJdoub1.37Å1.40ÅAromatic
CAJCAKsing1.42Å1.41ÅAromatic
CAKNAMdoub1.30Å1.33ÅAromatic
CAKCALsing1.51Å1.52Å
CALHALsing1.09Å1.10Å
CALHALAsing1.09Å1.10Å
CALHALBsing1.09Å1.10Å
OANNAMsing1.21Å1.40ÅAromatic
CAOOANsing1.34Å1.37ÅAromatic
CAPCAOsing1.51Å1.54Å
CAPHAPsing1.09Å1.10Å
CAPHAPAsing1.09Å1.10Å
CAPHAPBsing1.09Å1.10Å
OARCAQsing1.43Å1.41Å
CASCAQsing1.53Å1.51Å
CAQHAQsing1.09Å1.10Å
OARHOARsing0.97Å0.95Å
CASHASsing1.09Å1.10Å
CASHASAsing1.09Å1.10Å
CASHASBsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CABCAAHAA109.5°109.4°
CABCAAHAAA109.5°109.4°
CABCAAHAAB109.5°109.5°
CAACABOAC106.4°109.5°
CAACABHAB110.5°109.5°
CAACABHABA110.5°109.5°
HAACAAHAAA109.5°109.5°
HAACAAHAAB109.5°109.5°
HAAACAAHAAB109.5°109.5°
OACCABHAB110.5°109.4°
OACCABHABA110.5°109.5°
CABOACCAD115.1°117.0°
HABCABHABA108.4°109.4°
OACCADCAE114.5°120.0°
OACCADCAI126.2°120.0°
CAECADCAI119.3°120.0°
CADCAECAF122.4°120.2°
CADCAEHAE118.8°119.9°
CADCAICAH119.9°119.8°
CADCAIHAI120.1°120.1°
CAFCAEHAE118.8°119.9°
CAECAFCAQ114.6°119.9°
CAECAFCAG118.7°120.2°
CAQCAFCAG126.7°120.0°
CAFCAQOAR116.3°109.5°
CAFCAQCAS109.1°109.5°
CAFCAQHAQ104.9°109.4°
CAFCAGCAH119.8°120.0°
CAFCAGHAG120.1°120.0°
CAHCAGHAG120.1°120.1°
CAGCAHCAJ118.4°120.0°
CAGCAHCAI119.9°119.9°
CAJCAHCAI121.5°120.1°
CAHCAJCAO129.9°128.1°
CAHCAJCAK125.2°128.1°
CAHCAIHAI120.1°120.1°
CAOCAJCAK104.5°103.7°
CAJCAOOAN108.6°106.2°
CAJCAOCAP128.6°126.9°
CAJCAKNAM111.6°106.2°
CAJCAKCAL130.3°126.9°
NAMCAKCAL118.1°126.8°
CAKNAMOAN106.3°112.0°
CAKCALHAL109.5°109.5°
CAKCALHALA109.4°109.5°
CAKCALHALB109.5°109.5°
HALCALHALA109.5°109.4°
HALCALHALB109.4°109.5°
HALACALHALB109.4°109.5°
NAMOANCAO109.0°111.8°
OANCAOCAP122.8°126.8°
CAOCAPHAP109.5°109.5°
CAOCAPHAPA109.4°109.5°
CAOCAPHAPB109.4°109.5°
HAPCAPHAPA109.5°109.4°
HAPCAPHAPB109.5°109.4°
HAPACAPHAPB109.5°109.4°
OARCAQCAS109.3°109.5°
OARCAQHAQ104.7°109.5°
CAQOARHOAR109.5°114.0°
CASCAQHAQ112.6°109.5°
CAQCASHAS109.5°109.4°
CAQCASHASA109.5°109.5°
CAQCASHASB109.4°109.5°
HASCASHASA109.5°109.5°
HASCASHASB109.5°109.4°
HASACASHASB109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CABCAAHAAHAAA120.0°120.0°
CABCAAHAAHAAB120.0°120.0°
CABCAAHAAAHAAB120.0°120.0°
CAACABOACHAB120.0°120.0°
CAACABOACHABA120.0°120.1°
CAACABHABHABA121.3°120.0°
CAACABOACCAD177.0°180.0°
HAACAAHAAAHAAB120.0°120.0°
HAACAACABOAC180.0°60.0°
HAACAACABHAB60.0°60.0°
HAACAACABHABA60.0°180.0°
HAAACAACABOAC60.0°60.0°
HAAACAACABHAB60.0°180.0°
HAAACAACABHABA180.0°60.0°
HAABCAACABOAC60.0°179.9°
HAABCAACABHAB180.0°60.0°
HAABCAACABHABA60.0°60.0°
OACCABHABHABA121.3°119.9°
CABOACCADCAE172.1°179.8°
CABOACCADCAI7.8°0.0°
HABCABOACCAD57.0°60.0°
HABACABOACCAD63.0°59.9°
OACCADCAECAI179.9°179.7°
OACCADCAECAF179.9°180.0°
OACCADCAEHAE0.1°0.0°
OACCADCAICAH179.1°179.7°
OACCADCAIHAI0.9°0.0°
CADCAECAFHAE180.0°180.0°
CADCAECAFCAQ179.4°180.0°
CADCAECAFCAG0.9°0.0°
CAECADCAICAH1.0°0.5°
CAECADCAIHAI179.0°179.7°
CAICADCAECAF0.0°0.3°
CAICADCAEHAE180.0°179.8°
CADCAICAHCAG1.1°0.5°
CADCAICAHCAJ176.1°179.7°
CADCAICAHHAI180.0°179.7°
CAECAFCAQCAG179.6°180.0°
CAECAFCAGCAH0.8°0.0°
CAECAFCAGHAG179.2°180.0°
CAECAFCAQOAR141.0°40.0°
CAECAFCAQCAS95.0°80.0°
CAECAFCAQHAQ25.8°160.0°
HAECAECAFCAQ0.6°0.0°
HAECAECAFCAG179.1°180.0°
CAQCAFCAGCAH179.6°180.0°
CAQCAFCAGHAG0.4°0.0°
CAFCAQOARCAS124.0°120.0°
CAFCAQOARHAQ115.2°119.9°
CAFCAQCASHAQ116.0°120.0°
CAFCAQOARHOAR180.0°180.0°
CAFCAQCASHAS180.0°60.0°
CAFCAQCASHASA60.0°180.0°
CAFCAQCASHASB60.0°59.9°
CAFCAGCAHHAG180.0°180.0°
CAFCAGCAHCAJ175.3°180.0°
CAFCAGCAHCAI0.2°0.3°
CAGCAFCAQOAR38.7°140.0°
CAGCAFCAQCAS85.4°100.0°
CAGCAFCAQHAQ153.8°20.0°
CAGCAHCAJCAI175.0°179.7°
CAGCAHCAIHAI178.8°179.7°
CAGCAHCAJCAO51.0°65.4°
CAGCAHCAJCAK121.3°115.0°
HAGCAGCAHCAJ4.7°0.0°
HAGCAGCAHCAI179.8°179.7°
CAJCAHCAIHAI3.9°0.0°
CAHCAJCAOCAK173.5°179.7°
CAHCAJCAKNAM176.0°179.9°
CAHCAJCAKCAL4.7°0.0°
CAHCAJCAOOAN175.5°179.9°
CAHCAJCAOCAP6.7°0.1°
CAICAHCAJCAO134.0°114.9°
CAICAHCAJCAK53.7°64.7°
CAOCAJCAKNAM2.1°0.3°
CAOCAJCAKCAL178.6°179.7°
CAJCAOOANNAM1.4°0.4°
CAJCAOOANCAP177.9°179.8°
CAJCAOCAPHAP177.5°89.9°
CAJCAOCAPHAPA57.5°150.0°
CAJCAOCAPHAPB62.5°30.1°
CAJCAKNAMCAL179.4°180.0°
CAJCAKCALHAL179.3°90.0°
CAJCAKCALHALA60.7°150.0°
CAJCAKCALHALB59.3°30.0°
CAJCAKNAMOAN1.3°0.0°
CAKCAJCAOOAN2.0°0.4°
CAKCAJCAOCAP179.8°179.8°
NAMCAKCALHAL0.0°89.9°
NAMCAKCALHALA120.0°30.0°
NAMCAKCALHALB120.0°150.0°
CAKNAMOANCAO0.0°0.3°
CAKCALHALHALA120.0°120.0°
CAKCALHALHALB120.0°120.0°
CAKCALHALAHALB120.0°120.0°
CALCAKNAMOAN179.3°180.0°
HALCALHALAHALB120.0°120.0°
NAMOANCAOCAP179.3°179.7°
OANCAOCAPHAP0.0°89.9°
OANCAOCAPHAPA120.0°30.2°
OANCAOCAPHAPB120.0°150.2°
CAOCAPHAPHAPA120.0°120.1°
CAOCAPHAPHAPB120.0°120.0°
CAOCAPHAPAHAPB120.0°120.0°
HAPCAPHAPAHAPB120.0°119.9°
OARCAQCASHAQ115.9°120.1°
OARCAQCASHAS51.9°60.0°
OARCAQCASHASA171.9°60.0°
OARCAQCASHASB68.1°179.9°
CASCAQOARHOAR56.1°60.0°
CAQCASHASHASA120.0°120.0°
CAQCASHASHASB120.0°119.9°
CAQCASHASAHASB120.0°120.0°
HAQCAQOARHOAR64.7°60.1°
HAQCAQCASHAS64.0°179.9°
HAQCAQCASHASA56.0°60.0°
HAQCAQCASHASB176.0°60.0°
HASCASHASAHASB120.0°120.0°

249697

PDB entries from 2026-02-25

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