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XAW

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CLAACAYsing1.74Å1.79Å
CAGCALsing1.53Å1.52Å
CAGCAJsing1.53Å1.52Å
CAGCANsing1.53Å1.52Å
CALCAFsing1.53Å1.51Å
CAJCAEsing1.53Å1.51Å
CANCAHsing1.53Å1.51Å
CAVCAYdoub1.38Å1.31ÅAromatic
CAVCATsing1.39Å1.52ÅAromatic
CAYCAZsing1.38Å1.54ÅAromatic
CASNADsing1.47Å1.45Å
CASCAQsing1.54Å1.52Å
CAFCAIsing1.53Å1.55Å
CAFCAMsing1.53Å1.55Å
NADCATsing1.40Å1.45Å
NADCARsing1.47Å1.44Å
CATCAUdoub1.40Å1.32ÅAromatic
CAECAIsing1.53Å1.54Å
CAECAOsing1.51Å1.54Å
CAECAKsing1.53Å1.55Å
CARCAPsing1.53Å1.52Å
CAZCAWdoub1.38Å1.32ÅAromatic
CAQNACsing1.47Å1.46Å
CAHCAMsing1.53Å1.55Å
CAHCAKsing1.53Å1.55Å
CAONACsing1.35Å1.46Å
CAOOABdoub1.21Å1.19Å
NACCAPsing1.47Å1.45Å
CAUCAWsing1.39Å1.53ÅAromatic
CAUNAXsing1.40Å1.45Å
CAFH1sing1.09Å1.10Å
CAGH2sing1.09Å1.10Å
CAHH3sing1.09Å1.10Å
CAIH4sing1.09Å1.10Å
CAIH5sing1.09Å1.10Å
CAJH6sing1.09Å1.10Å
CAJH7sing1.09Å1.10Å
CAKH8sing1.09Å1.10Å
CAKH9sing1.09Å1.10Å
CALH10sing1.09Å1.10Å
CALH11sing1.09Å1.10Å
CAMH12sing1.09Å1.10Å
CAMH13sing1.09Å1.10Å
CANH14sing1.09Å1.10Å
CANH15sing1.09Å1.10Å
CAPH16sing1.09Å1.10Å
CAPH17sing1.09Å1.10Å
CAQH18sing1.09Å1.10Å
CAQH19sing1.09Å1.10Å
CARH20sing1.09Å1.10Å
CARH21sing1.09Å1.10Å
CASH22sing1.09Å1.10Å
CASH23sing1.09Å1.10Å
CAVH24sing1.08Å1.08Å
CAWH25sing1.08Å1.08Å
CAZH26sing1.08Å1.08Å
NAXH27sing0.97Å1.00Å
NAXH28sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CLAACAYCAV117.1°119.9°
CLAACAYCAZ122.8°119.9°
CALCAGCAJ108.9°109.5°
CALCAGCAN111.2°109.4°
CAGCALCAF109.5°109.5°
CALCAGH2109.0°109.5°
CAGCALH10109.5°109.5°
CAGCALH11109.5°109.4°
CAJCAGCAN109.7°109.5°
CAGCAJCAE109.8°109.5°
CAJCAGH2109.1°109.5°
CAGCAJH6109.4°109.4°
CAGCAJH7109.4°109.4°
CAGCANCAH109.4°109.5°
CANCAGH2109.0°109.5°
CAGCANH14109.5°109.5°
CAGCANH15109.5°109.5°
CALCAFCAI110.5°109.5°
CALCAFCAM108.2°109.5°
CALCAFH1109.3°109.5°
CAFCALH10109.5°109.5°
CAFCALH11109.5°109.5°
CAJCAECAI109.6°109.5°
CAJCAECAO108.8°109.5°
CAJCAECAK111.9°109.5°
CAECAJH6109.4°109.5°
CAECAJH7109.4°109.5°
CANCAHCAM109.9°109.5°
CANCAHCAK109.6°109.5°
CANCAHH3109.7°109.5°
CAHCANH14109.5°109.4°
CAHCANH15109.5°109.4°
CAYCAVCAT120.0°120.0°
CAVCAYCAZ120.1°120.2°
CAYCAVH24120.0°120.0°
CAVCATNAD117.5°120.1°
CAVCATCAU120.6°119.8°
CATCAVH24120.0°120.0°
CAYCAZCAW120.1°120.2°
CAYCAZH26120.0°119.9°
NADCASCAQ108.2°109.4°
CASNADCAT120.7°111.0°
CASNADCAR120.5°111.3°
NADCASH22109.8°109.5°
NADCASH23109.8°109.5°
CASCAQNAC109.7°108.4°
CASCAQH18109.4°109.8°
CASCAQH19109.4°109.7°
CAQCASH22109.8°109.4°
CAQCASH23109.8°109.5°
CAICAFCAM111.2°109.5°
CAFCAICAE108.6°109.5°
CAICAFH1108.9°109.5°
CAFCAIH4109.7°109.5°
CAFCAIH5109.7°109.5°
CAFCAMCAH107.5°109.5°
CAMCAFH1108.8°109.5°
CAFCAMH12110.0°109.5°
CAFCAMH13110.0°109.5°
CATNADCAR118.8°111.1°
NADCATCAU121.9°120.1°
NADCARCAP108.5°109.4°
NADCARH20109.7°109.5°
NADCARH21109.7°109.5°
CATCAUCAW119.9°119.8°
CATCAUNAX119.5°120.1°
CAICAECAO107.7°109.5°
CAICAECAK106.4°109.4°
CAECAIH4109.7°109.5°
CAECAIH5109.7°109.4°
CAOCAECAK112.4°109.4°
CAECAONAC125.5°120.0°
CAECAOOAB117.8°120.0°
CAECAKCAH109.4°109.5°
CAECAKH8109.5°109.5°
CAECAKH9109.5°109.5°
CARCAPNAC109.3°108.7°
CARCAPH16109.5°109.6°
CARCAPH17109.5°109.6°
CAPCARH20109.7°109.5°
CAPCARH21109.7°109.5°
CAZCAWCAU119.2°120.0°
CAZCAWH25120.4°120.0°
CAWCAZH26120.0°119.9°
CAQNACCAO125.3°120.9°
CAQNACCAP117.9°118.2°
NACCAQH18109.4°109.6°
NACCAQH19109.4°109.6°
CAMCAHCAK109.3°109.4°
CAMCAHH3109.2°109.5°
CAHCAMH12109.9°109.5°
CAHCAMH13109.9°109.5°
CAKCAHH3109.3°109.5°
CAHCAKH8109.5°109.5°
CAHCAKH9109.5°109.5°
NACCAOOAB116.7°120.0°
CAONACCAP116.8°120.9°
NACCAPH16109.5°109.6°
NACCAPH17109.5°109.6°
CAWCAUNAX120.6°120.1°
CAUCAWH25120.4°120.0°
CAUNAXH27109.5°120.0°
CAUNAXH28109.5°120.0°
H4CAIH5109.5°109.4°
H6CAJH7109.5°109.6°
H8CAKH9109.5°109.4°
H10CALH11109.5°109.4°
H12CAMH13109.5°109.4°
H14CANH15109.5°109.5°
H16CAPH17109.4°109.6°
H18CAQH19109.5°109.6°
H20CARH21109.4°109.5°
H22CASH23109.5°109.5°
H27NAXH28109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CLAACAYCAVCAZ180.0°180.0°
CLAACAYCAVCAT179.8°180.0°
CLAACAYCAZCAW179.8°179.9°
CLAACAYCAVH240.2°0.0°
CLAACAYCAZH260.1°0.0°
CALCAGCAJCAN121.8°120.0°
CALCAGCAJH2118.9°120.1°
CALCAGCANH2120.2°120.0°
CAGCALCAFH10120.0°120.0°
CAGCALCAFH11120.0°120.0°
CALCAGCAJCAE62.0°59.9°
CALCAGCANCAH57.6°60.0°
CAGCALCAFCAI59.8°60.0°
CAGCALCAFCAM62.1°60.0°
CAGCALCAFH1179.6°180.0°
CALCAGCAJH6177.9°60.0°
CALCAGCAJH758.0°179.9°
CAGCALH10H11120.0°119.9°
CALCAGCANH1462.4°60.0°
CALCAGCANH15177.6°180.0°
CAJCAGCANH2119.4°120.0°
CAJCAGCALCAF61.0°60.0°
CAGCAJCAEH6120.1°119.9°
CAGCAJCAEH7120.1°120.0°
CAJCAGCANCAH62.8°60.0°
CAGCAJCAECAI61.2°60.0°
CAGCAJCAECAO178.7°180.0°
CAGCAJCAECAK56.6°60.0°
CAGCAJH6H7119.9°120.0°
CAJCAGCALH1059.0°180.0°
CAJCAGCALH11179.0°60.0°
CAJCAGCANH14177.2°180.0°
CAJCAGCANH1557.1°60.0°
CANCAGCALCAF59.9°60.0°
CANCAGCAJCAE59.8°60.0°
CAGCANCAHH14120.0°120.0°
CAGCANCAHH15120.0°120.0°
CAGCANCAHCAM58.7°60.0°
CAGCANCAHCAK61.4°60.0°
CAGCANCAHH3178.7°180.0°
CANCAGCAJH660.3°180.0°
CANCAGCAJH7179.8°60.0°
CANCAGCALH10179.9°60.1°
CANCAGCALH1160.1°180.0°
CAGCANH14H15120.0°120.1°
CALCAFCAICAM120.1°120.0°
CALCAFCAIH1120.1°120.0°
CALCAFCAMH1118.7°120.0°
CALCAFCAICAE58.0°60.0°
CALCAFCAMCAH62.7°60.0°
CAFCALCAGH2180.0°180.0°
CALCAFCAIH461.9°180.0°
CALCAFCAIH5177.8°60.0°
CAFCALH10H11120.0°120.0°
CALCAFCAMH12177.6°180.0°
CALCAFCAMH1357.0°60.0°
CAJCAECAICAF58.2°60.0°
CAJCAECAICAO118.2°120.0°
CAJCAECAICAK121.1°120.0°
CAJCAECAOCAK124.5°120.0°
CAJCAECAKCAH55.0°60.0°
CAJCAECAONAC68.4°60.9°
CAJCAECAOOAB111.6°119.0°
CAECAJCAGH2179.1°180.0°
CAJCAECAIH461.7°179.9°
CAJCAECAIH5178.1°60.0°
CAECAJH6H7119.9°120.1°
CAJCAECAKH865.0°60.0°
CAJCAECAKH9175.0°179.9°
CANCAHCAMCAF61.6°60.0°
CANCAHCAKCAE56.9°60.0°
CANCAHCAMCAK120.2°120.0°
CANCAHCAMH3120.3°120.1°
CANCAHCAKH3120.2°120.0°
CAHCANCAGH2177.8°180.0°
CANCAHCAKH863.1°60.0°
CANCAHCAKH9176.9°180.0°
CANCAHCAMH12178.7°180.0°
CANCAHCAMH1358.1°60.0°
CAHCANH14H15120.0°119.9°
CAYCAVCATH24180.0°180.0°
CAYCAVCATNAD179.8°179.7°
CAYCAVCATCAU0.1°0.0°
CAVCAYCAZCAW0.1°0.1°
CAVCAYCAZH26179.9°180.0°
CATCAVCAYCAZ0.2°0.0°
CAVCATNADCAS116.1°59.7°
CAVCATNADCAU179.9°179.7°
CAVCATNADCAR63.6°64.6°
CAVCATCAUCAW0.1°0.0°
CAVCATCAUNAX179.8°180.0°
CAYCAZCAWH26180.0°180.0°
CAYCAZCAWCAU0.0°0.1°
CAZCAYCAVH24179.8°180.0°
CAYCAZCAWH25180.0°180.0°
NADCASCAQH22119.8°120.0°
NADCASCAQH23119.8°120.0°
CASNADCATCAR179.7°124.4°
CASNADCATCAU63.8°120.0°
CASNADCARCAP54.8°63.1°
NADCASCAQNAC47.8°53.7°
NADCASCAQH18167.8°173.4°
NADCASCAQH1972.2°66.0°
CASNADCARH20174.7°56.8°
CASNADCARH2165.0°177.0°
NADCASH22H23120.6°120.1°
CAQCASNADCAT126.3°172.7°
CAQCASNADCAR54.1°63.0°
CASCAQNACH18120.0°119.9°
CASCAQNACH19120.0°119.8°
CASCAQNACCAO126.7°128.9°
CASCAQNACCAP53.9°51.0°
CASCAQH18H19119.9°120.6°
CAQCASH22H23120.6°120.0°
CAICAFCAMH1119.9°120.0°
CAFCAICAEH4119.9°120.1°
CAFCAICAEH5119.9°120.0°
CAFCAICAECAO176.4°180.0°
CAFCAICAECAK62.9°60.0°
CAICAFCAMCAH58.7°60.0°
CAFCAIH4H5120.4°120.0°
CAICAFCALH1060.2°180.0°
CAICAFCALH11179.8°60.0°
CAICAFCAMH1261.0°60.0°
CAICAFCAMH13178.4°180.0°
CAMCAFCAICAE62.1°60.0°
CAFCAMCAHH12119.7°120.0°
CAFCAMCAHH13119.7°120.0°
CAFCAMCAHCAK58.7°60.0°
CAFCAMCAHH3178.1°180.0°
CAMCAFCAIH4178.0°60.0°
CAMCAFCAIH557.8°180.0°
CAMCAFCALH10177.9°60.0°
CAMCAFCALH1157.9°180.0°
CAFCAMH12H13120.9°120.0°
CATNADCARCAP125.5°172.7°
NADCATCAUCAW180.0°179.7°
NADCATCAUNAX0.3°0.3°
CATNADCARH205.6°67.4°
CATNADCARH21114.7°52.8°
CATNADCASH22114.0°52.8°
CATNADCASH236.5°67.3°
NADCATCAVH240.2°0.3°
CARNADCATCAU116.5°115.7°
NADCARCAPH20119.9°120.0°
NADCARCAPH21119.8°120.0°
NADCARCAPNAC49.3°53.9°
NADCARCAPH1670.7°65.9°
NADCARCAPH17169.2°173.7°
NADCARH20H21120.5°120.1°
CARNADCASH2265.7°177.1°
CARNADCASH23173.8°56.9°
CATCAUCAWCAZ0.1°0.0°
CATCAUCAWNAX179.7°180.0°
CAUCATCAVH24179.9°180.0°
CATCAUCAWH25179.9°180.0°
CATCAUNAXH27180.0°0.0°
CATCAUNAXH2860.0°180.0°
CAICAECAOCAK116.9°120.0°
CAICAECAKCAH64.6°60.0°
CAICAECAONAC172.9°179.0°
CAICAECAOOAB7.1°1.0°
CAECAICAFH1178.1°180.0°
CAECAIH4H5120.4°119.9°
CAICAECAJH6178.8°60.0°
CAICAECAJH758.9°179.9°
CAICAECAKH8175.4°180.0°
CAICAECAKH955.4°60.0°
CAECAONACCAQ0.1°174.7°
CAOCAECAKCAH177.8°180.0°
CAECAONACOAB180.0°179.9°
CAECAONACCAP179.5°5.2°
CAOCAECAIH456.5°59.9°
CAOCAECAIH563.7°60.0°
CAOCAECAJH661.3°60.1°
CAOCAECAJH758.6°60.0°
CAOCAECAKH857.8°60.0°
CAOCAECAKH962.3°60.0°
CAECAKCAHCAM63.6°60.0°
CAECAKCAHH8120.0°120.0°
CAECAKCAHH9120.0°120.1°
CAKCAECAONAC56.0°59.1°
CAKCAECAOOAB123.9°121.0°
CAECAKCAHH3177.1°180.0°
CAKCAECAIH4177.2°60.1°
CAKCAECAIH557.0°180.0°
CAKCAECAJH663.5°179.9°
CAKCAECAJH7176.6°59.9°
CAECAKH8H9120.1°120.0°
CARCAPNACCAQ54.4°51.2°
CARCAPNACCAO126.2°128.7°
CARCAPNACH16120.0°119.8°
CARCAPNACH17120.0°119.8°
CARCAPH16H17120.0°120.4°
CAPCARH20H21120.5°120.0°
CAZCAWCAUH25180.0°179.9°
CAZCAWCAUNAX179.8°180.0°
CAQNACCAOCAP179.4°180.0°
CAQNACCAOOAB179.8°5.3°
CAQNACCAPH1665.6°68.6°
CAQNACCAPH17174.4°171.1°
NACCAQH18H19119.9°120.4°
NACCAQCASH2272.0°173.7°
NACCAQCASH23167.6°66.3°
CAMCAHCAKH3119.4°120.0°
CAHCAMCAFH1178.6°180.0°
CAMCAHCAKH8176.4°180.0°
CAMCAHCAKH956.4°60.1°
CAHCAMH12H13120.9°120.0°
CAMCAHCANH1461.3°60.0°
CAMCAHCANH15178.7°180.0°
CAHCAKH8H9120.0°120.0°
CAKCAHCAMH1261.0°60.0°
CAKCAHCAMH13178.4°180.0°
CAKCAHCANH14178.6°180.0°
CAKCAHCANH1558.6°60.0°
CAONACCAPH16113.8°111.5°
CAONACCAPH176.2°8.9°
CAONACCAQH186.7°9.1°
CAONACCAQH19113.2°111.3°
OABCAONACCAP0.5°174.7°
NACCAPH16H17120.1°120.4°
CAPNACCAQH18174.0°170.9°
CAPNACCAQH1966.1°68.8°
NACCAPCARH20169.1°66.0°
NACCAPCARH2170.6°173.9°
CAUCAWCAZH26180.0°180.0°
CAWCAUNAXH270.3°180.0°
CAWCAUNAXH28119.7°0.0°
NAXCAUCAWH250.2°0.0°
CAUNAXH27H28120.0°180.0°
H1CAFCAIH458.2°59.9°
H1CAFCAIH562.1°60.0°
H1CAFCALH1059.6°60.0°
H1CAFCALH1160.4°60.0°
H1CAFCAMH1258.9°60.0°
H1CAFCAMH1361.7°60.0°
H2CAGCAJH659.1°60.0°
H2CAGCAJH760.9°60.0°
H2CAGCALH1059.9°59.9°
H2CAGCALH1160.0°60.0°
H2CAGCANH1457.8°60.0°
H2CAGCANH1562.2°60.0°
H3CAHCAKH857.1°60.0°
H3CAHCAKH963.0°59.9°
H3CAHCAMH1258.4°59.9°
H3CAHCAMH1362.2°60.0°
H3CAHCANH1458.7°60.0°
H3CAHCANH1561.3°60.0°
H16CAPCARH2049.1°174.2°
H16CAPCARH21169.4°54.1°
H17CAPCARH2070.9°53.8°
H17CAPCARH2149.4°66.3°
H18CAQCASH2248.1°66.6°
H18CAQCASH2372.4°53.4°
H19CAQCASH22168.0°54.0°
H19CAQCASH2347.6°174.0°
H25CAWCAZH260.0°0.0°

223532

PDB entries from 2024-08-07

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