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MWT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NABCANsing1.47Å1.58Å
CAANBMsing1.47Å1.50Å
CANCAOsing1.53Å1.56Å
CAOCAPsing1.53Å1.60Å
CASCAPsing1.53Å1.61Å
CASCBGsing1.51Å1.57Å
NBMCBGsing1.34Å1.46ÅAromatic
NBMNAYdoub1.29Å1.45ÅAromatic
CBGCAMdoub1.35Å1.42ÅAromatic
NAYNBLsing1.29Å1.44ÅAromatic
CAMNBLsing1.36Å1.43ÅAromatic
NBLCBFsing1.40Å1.49Å
CBFCAIdoub1.39Å1.44ÅAromatic
CBFCALsing1.39Å1.43ÅAromatic
CAICAJsing1.38Å1.45ÅAromatic
CALCBHdoub1.38Å1.44ÅAromatic
CAJCBIdoub1.40Å1.44ÅAromatic
CBHCBIsing1.40Å1.44ÅAromatic
CBHOBAsing1.36Å1.42Å
CBICBJsing1.48Å1.53Å
OBACARsing1.43Å1.44Å
CARCAWsing1.53Å1.60Å
CBJNAXdoub1.30Å1.33ÅAromatic
CBJSBBsing1.76Å1.83ÅAromatic
CAWNBKsing1.46Å1.53Å
NAXCBEsing1.31Å1.45ÅAromatic
NBKCAVsing1.47Å1.48Å
NBKCBCsing1.34Å1.41Å
CAVCAQsing1.54Å1.49Å
SBBCAKsing1.76Å1.75ÅAromatic
CBECAKdoub1.34Å1.37ÅAromatic
CBECAUsing1.51Å1.51Å
CAHCAFdoub1.38Å1.41ÅAromatic
CAHCBDsing1.38Å1.40ÅAromatic
CAFCADsing1.38Å1.41ÅAromatic
CBCOACdoub1.22Å1.25Å
CBCNAZsing1.34Å1.42Å
CAQNAZsing1.47Å1.45Å
CAUCATsing1.53Å1.60Å
CATCBDsing1.51Å1.54Å
CBDCAGdoub1.38Å1.41ÅAromatic
CADCAEdoub1.38Å1.40ÅAromatic
CAGCAEsing1.38Å1.42ÅAromatic
CAQH1sing1.09Å1.10Å
CAVH2sing1.09Å1.10Å
CAVH3sing1.09Å1.10Å
CAWH4sing1.09Å1.10Å
CAWH5sing1.09Å1.10Å
CARH6sing1.09Å1.10Å
CARH7sing1.09Å1.10Å
CALH8sing1.08Å1.08Å
CAMH9sing1.08Å1.08Å
CAAH10sing1.09Å1.10Å
CAAH11sing1.09Å1.10Å
CAAH12sing1.09Å1.10Å
CASH13sing1.09Å1.10Å
CAPH14sing1.09Å1.10Å
CAOH15sing1.09Å1.10Å
CAOH16sing1.09Å1.10Å
CANH17sing1.09Å1.10Å
CANH18sing1.09Å1.10Å
NABH19sing1.01Å1.00Å
NABH20sing1.01Å1.00Å
CAIH22sing1.08Å1.08Å
CAJH23sing1.08Å1.08Å
CAKH24sing1.08Å1.08Å
CAUH25sing1.09Å1.10Å
CAUH26sing1.09Å1.10Å
CATH27sing1.09Å1.10Å
CATH28sing1.09Å1.10Å
CAGH29sing1.08Å1.08Å
CAEH30sing1.08Å1.08Å
CADH31sing1.08Å1.08Å
CAFH32sing1.08Å1.08Å
CAHH33sing1.08Å1.08Å
NAZH34sing0.97Å1.00Å
CAQH35sing1.09Å1.10Å
CASH36sing1.09Å1.10Å
CAPH37sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NABCANCAO112.5°109.5°
NABCANH17108.7°109.4°
NABCANH18108.7°109.5°
CANNABH19109.5°111.0°
CANNABH20109.5°111.0°
CAANBMCBG129.0°125.5°
CAANBMNAY122.1°125.4°
NBMCAAH10109.5°109.5°
NBMCAAH11109.5°109.5°
NBMCAAH12109.5°109.5°
CANCAOCAP113.0°109.5°
CANCAOH15108.6°109.5°
CANCAOH16108.6°109.5°
CAOCANH17108.7°109.5°
CAOCANH18108.7°109.5°
CAOCAPCAS117.8°109.5°
CAOCAPH14107.4°109.5°
CAPCAOH15108.6°109.5°
CAPCAOH16108.6°109.4°
CAOCAPH37107.3°109.5°
CAPCASCBG116.6°109.5°
CAPCASH13107.7°109.5°
CASCAPH14107.4°109.5°
CAPCASH36107.6°109.5°
CASCAPH37107.4°109.5°
CASCBGNBM129.4°126.8°
CASCBGCAM125.7°126.7°
CBGCASH13107.7°109.4°
CBGCASH36107.7°109.4°
CBGNBMNAY108.9°109.1°
NBMCBGCAM104.9°106.5°
NBMNAYNBL108.0°110.2°
CBGCAMNBL112.4°106.1°
CBGCAMH9123.8°127.0°
NAYNBLCAM105.8°108.1°
NAYNBLCBF126.3°125.9°
CAMNBLCBF127.8°126.0°
NBLCAMH9123.8°126.9°
NBLCBFCAI124.8°119.9°
NBLCBFCAL121.5°119.9°
CAICBFCAL113.7°120.2°
CBFCAICAJ121.4°120.2°
CBFCAIH22119.3°119.9°
CBFCALCBH124.4°120.0°
CBFCALH8117.8°120.0°
CAICAJCBI125.0°120.0°
CAJCAIH22119.3°119.9°
CAICAJH23117.5°120.0°
CALCBHCBI123.0°119.8°
CALCBHOBA117.9°120.1°
CBHCALH8117.8°120.0°
CAJCBICBH112.6°119.8°
CAJCBICBJ122.9°120.1°
CBICAJH23117.5°120.0°
CBICBHOBA119.1°120.1°
CBHCBICBJ124.5°120.1°
CBHOBACAR120.4°117.0°
CBICBJNAX130.6°125.5°
CBICBJSBB125.0°125.5°
OBACARCAW113.7°109.5°
OBACARH6108.4°109.5°
OBACARH7108.4°109.5°
CARCAWNBK115.3°109.5°
CARCAWH4108.0°109.5°
CARCAWH5108.0°109.5°
CAWCARH6108.4°109.5°
CAWCARH7108.4°109.4°
NAXCBJSBB104.3°109.1°
CBJNAXCBE118.8°117.0°
CBJSBBCAK95.1°89.8°
CAWNBKCAV121.9°125.4°
CAWNBKCBC133.4°125.4°
NBKCAWH4108.0°109.5°
NBKCAWH5108.0°109.5°
NAXCBECAK113.5°115.9°
NAXCBECAU122.9°122.1°
CAVNBKCBC104.6°109.2°
NBKCAVCAQ108.3°103.9°
NBKCAVH2109.7°110.7°
NBKCAVH3109.8°110.5°
NBKCBCOAC123.1°123.0°
NBKCBCNAZ113.6°114.0°
CAVCAQNAZ106.5°103.8°
CAVCAQH1110.2°110.5°
CAQCAVH2109.7°110.5°
CAQCAVH3109.7°110.5°
CAVCAQH35110.2°110.7°
SBBCAKCBE108.2°108.2°
SBBCAKH24125.9°125.8°
CAKCBECAU123.5°122.0°
CBECAKH24125.9°125.9°
CBECAUCAT110.5°109.5°
CBECAUH25109.2°109.5°
CBECAUH26109.2°109.5°
CAFCAHCBD121.8°120.0°
CAHCAFCAD120.7°120.0°
CAHCAFH32119.6°120.0°
CAFCAHH33119.1°120.0°
CAHCBDCAT122.5°120.0°
CAHCBDCAG117.0°120.0°
CBDCAHH33119.1°120.0°
CAFCADCAE118.6°120.0°
CAFCADH31120.7°120.0°
CADCAFH32119.7°120.0°
OACCBCNAZ123.3°123.0°
CBCNAZCAQ106.9°109.2°
CBCNAZH34126.6°125.5°
NAZCAQH1110.2°110.5°
CAQNAZH34126.5°125.4°
NAZCAQH35110.2°110.6°
CAUCATCBD120.9°109.5°
CATCAUH25109.2°109.4°
CATCAUH26109.2°109.5°
CAUCATH27106.5°109.5°
CAUCATH28106.6°109.5°
CATCBDCAG120.5°120.0°
CBDCATH27106.5°109.4°
CBDCATH28106.5°109.5°
CBDCAGCAE121.7°120.0°
CBDCAGH29119.2°119.9°
CADCAECAG120.2°120.0°
CADCAEH30119.9°120.0°
CAECADH31120.7°120.0°
CAECAGH29119.1°120.0°
CAGCAEH30119.9°120.0°
H1CAQH35109.5°110.5°
H2CAVH3109.5°110.5°
H4CAWH5109.5°109.5°
H6CARH7109.5°109.4°
H10CAAH11109.4°109.4°
H10CAAH12109.5°109.4°
H11CAAH12109.5°109.5°
H13CASH36109.5°109.5°
H14CAPH37109.5°109.4°
H15CAOH16109.5°109.4°
H17CANH18109.5°109.4°
H19NABH20109.5°111.0°
H25CAUH26109.5°109.5°
H27CATH28109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NABCANCAOH17120.4°120.0°
NABCANCAOH18120.5°120.1°
NABCANCAOCAP92.3°180.0°
NABCANCAOH15147.1°60.0°
NABCANCAOH1628.2°60.0°
NABCANH17H18118.6°120.0°
CANNABH19H20120.0°123.9°
CAANBMCBGCAS0.4°0.0°
CAANBMCBGNAY179.5°180.0°
CAANBMCBGCAM179.6°180.0°
CAANBMNAYNBL179.7°179.8°
NBMCAAH10H11120.0°120.0°
NBMCAAH10H12120.0°120.0°
NBMCAAH11H12120.0°120.1°
CANCAOCAPH15120.5°120.0°
CANCAOCAPH16120.5°120.0°
CANCAOCAPCAS85.8°180.0°
CANCAOCAPH1435.5°60.0°
CANCAOH15H16118.4°120.0°
CAOCANH17H18118.6°120.0°
CAOCANNABH19180.0°180.0°
CAOCANNABH2060.0°56.1°
CANCAOCAPH37153.1°60.0°
CAOCAPCASH14121.2°120.0°
CAOCAPCASH37121.2°120.0°
CAOCAPCASCBG162.3°180.0°
CAOCAPCASH1341.2°60.0°
CAOCAPH14H37116.2°120.0°
CAPCAOH15H16118.4°119.9°
CAPCAOCANH1728.1°60.0°
CAPCAOCANH18147.2°60.0°
CAOCAPCASH3676.7°60.0°
CAPCASCBGH13121.0°120.0°
CAPCASCBGH36121.0°120.1°
CAPCASCBGNBM152.6°95.0°
CAPCASCBGCAM27.3°85.0°
CAPCASH13H36116.7°120.1°
CASCAPH14H37116.2°120.0°
CASCAPCAOH15153.7°60.0°
CASCAPCAOH1634.8°60.0°
CASCBGNBMCAM180.0°180.0°
CASCBGNBMNAY179.9°180.0°
CASCBGCAMNBL179.4°179.8°
CASCBGCAMH90.6°0.2°
CBGCASH13H36116.8°119.9°
CBGCASCAPH1476.5°60.0°
CBGCASCAPH3741.1°59.9°
CBGNBMNAYNBL0.7°0.2°
NBMCBGCAMNBL0.7°0.1°
NBMCBGCAMH9179.3°179.9°
CBGNBMCAAH10179.4°90.0°
CBGNBMCAAH1159.5°150.1°
CBGNBMCAAH1260.5°30.0°
NBMCBGCASH1331.6°25.0°
NBMCBGCASH3686.3°145.0°
NAYNBMCBGCAM0.0°0.0°
NBMNAYNBLCAM1.1°0.3°
NBMNAYNBLCBF178.1°180.0°
NAYNBMCAAH100.0°90.0°
NAYNBMCAAH11120.0°29.9°
NAYNBMCAAH12120.0°150.1°
CBGCAMNBLNAY1.1°0.3°
CBGCAMNBLH9180.0°180.0°
CBGCAMNBLCBF178.1°179.9°
CAMCBGCASH13148.3°155.0°
CAMCBGCASH3693.7°35.0°
NAYNBLCAMCBF177.0°179.7°
NAYNBLCBFCAI38.7°175.3°
NAYNBLCBFCAL139.3°4.6°
NAYNBLCAMH9178.9°179.7°
CAMNBLCBFCAI144.9°5.1°
CAMNBLCBFCAL37.1°175.0°
NBLCBFCAICAL178.1°179.9°
NBLCBFCAICAJ179.1°180.0°
NBLCBFCALCBH179.3°180.0°
NBLCBFCALH80.7°0.0°
CBFNBLCAMH91.9°0.1°
NBLCBFCAIH220.9°0.1°
CBFCAICAJH22180.0°179.9°
CAICBFCALCBH1.2°0.0°
CBFCAICAJCBI0.0°0.0°
CAICBFCALH8178.8°179.9°
CBFCAICAJH23180.0°180.0°
CALCBFCAICAJ1.0°0.1°
CBFCALCBHH8180.0°180.0°
CBFCALCBHCBI0.3°0.0°
CBFCALCBHOBA179.5°179.8°
CALCBFCAIH22179.0°179.9°
CAICAJCBIH23180.0°179.9°
CAICAJCBICBH0.9°0.0°
CAICAJCBICBJ178.9°179.7°
CALCBHCBICAJ0.7°0.0°
CALCBHCBIOBA179.8°179.8°
CALCBHCBICBJ178.7°179.8°
CALCBHOBACAR48.0°6.1°
CAJCBICBHCBJ177.9°179.7°
CAJCBICBHOBA179.4°179.8°
CAJCBICBJNAX19.5°5.5°
CAJCBICBJSBB163.9°174.8°
CBICAJCAIH22180.0°179.9°
CBICBHOBACAR131.9°174.1°
CBHCBICBJNAX158.3°174.2°
CBHCBICBJSBB18.4°5.4°
CBICBHCALH8179.7°180.0°
CBHCBICAJH23179.1°179.9°
OBACBHCBICBJ1.5°0.0°
CBHOBACARCAW167.7°174.4°
CBHOBACARH647.1°65.6°
CBHOBACARH771.7°54.4°
OBACBHCALH80.5°0.2°
CBICBJNAXSBB177.2°179.7°
CBICBJNAXCBE179.0°180.0°
CBICBJSBBCAK178.4°180.0°
CBJCBICAJH231.1°0.2°
OBACARCAWH6120.6°120.0°
OBACARCAWH7120.6°120.0°
OBACARCAWNBK103.6°65.7°
OBACARCAWH4135.6°54.3°
OBACARCAWH517.3°174.3°
OBACARH6H7118.1°120.0°
CARCAWNBKH4120.8°120.0°
CARCAWNBKH5120.8°120.0°
CARCAWNBKCAV19.8°83.5°
CARCAWNBKCBC159.9°96.9°
CARCAWH4H5117.4°120.0°
CAWCARH6H7118.0°119.9°
NAXCBJSBBCAK1.0°0.3°
CBJNAXCBECAK1.9°0.1°
CBJNAXCBECAU179.3°180.0°
SBBCBJNAXCBE1.8°0.3°
CBJSBBCAKCBE0.1°0.2°
CBJSBBCAKH24180.0°180.0°
CAWNBKCAVCBC179.7°179.6°
CAWNBKCAVCAQ179.7°180.0°
CAWNBKCBCOAC0.5°0.3°
CAWNBKCBCNAZ179.8°180.0°
CAWNBKCAVH259.9°61.3°
CAWNBKCAVH360.5°61.5°
NBKCAWH4H5117.4°120.0°
NBKCAWCARH617.1°174.2°
NBKCAWCARH7135.8°54.3°
NAXCBECAKSBB0.9°0.1°
NAXCBECAKCAU177.4°179.9°
NAXCBECAUCAT86.4°55.0°
NAXCBECAKH24179.1°179.9°
NAXCBECAUH2533.8°65.0°
NAXCBECAUH26153.4°175.0°
NBKCAVCAQH2119.8°118.8°
NBKCAVCAQH3119.8°118.5°
CAVNBKCBCOAC179.2°179.9°
CAVNBKCBCNAZ0.5°0.4°
NBKCAVCAQNAZ0.5°0.3°
NBKCAVCAQH1119.1°118.8°
NBKCAVH2H3120.5°122.8°
CAVNBKCAWH4140.6°156.4°
CAVNBKCAWH5101.1°36.4°
NBKCAVCAQH35120.0°118.4°
CBCNBKCAVCAQ0.6°0.4°
NBKCBCOACNAZ179.7°179.7°
NBKCBCNAZCAQ0.2°0.2°
CBCNBKCAVH2120.4°118.3°
CBCNBKCAVH3119.2°118.9°
CBCNBKCAWH439.0°23.1°
CBCNBKCAWH579.3°143.1°
NBKCBCNAZH34179.8°179.7°
CAVCAQNAZCBC0.2°0.1°
CAVCAQNAZH1119.5°118.5°
CAVCAQNAZH35119.5°118.8°
CAVCAQH1H35121.4°122.9°
CAQCAVH2H3120.5°122.7°
CAVCAQNAZH34179.8°180.0°
SBBCAKCBEH24180.0°179.8°
SBBCAKCBECAU178.3°179.8°
CAKCBECAUCAT90.7°125.1°
CAKCBECAUH25149.1°114.9°
CAKCBECAUH2629.4°5.1°
CBECAUCATH25120.2°119.9°
CBECAUCATH26120.2°120.0°
CBECAUCATCBD151.8°180.0°
CAUCBECAKH241.7°0.0°
CBECAUH25H26119.5°120.1°
CBECAUCATH2786.6°60.1°
CBECAUCATH2830.2°60.0°
CAFCAHCBDH33180.0°179.4°
CAHCAFCADH32180.0°179.8°
CAFCAHCBDCAT179.7°179.7°
CAFCAHCBDCAG0.3°0.5°
CAHCAFCADCAE0.3°0.3°
CAHCAFCADH31179.7°179.8°
CBDCAHCAFCAD0.2°0.6°
CAHCBDCATCAU29.6°90.3°
CAHCBDCATCAG179.4°179.7°
CAHCBDCAGCAE0.0°0.3°
CAHCBDCATH27151.2°149.7°
CAHCBDCATH2892.0°29.7°
CAHCBDCAGH29180.0°179.7°
CBDCAHCAFH32179.8°179.7°
CAFCADCAEH31180.0°179.9°
CAFCADCAECAG0.6°0.0°
CAFCADCAEH30179.4°180.0°
CADCAFCAHH33179.8°180.0°
OACCBCNAZCAQ179.5°179.9°
OACCBCNAZH340.5°0.0°
CBCNAZCAQH34180.0°180.0°
CBCNAZCAQH1119.4°118.6°
CBCNAZCAQH35119.7°118.7°
NAZCAQH1H35121.4°122.7°
NAZCAQCAVH2120.3°118.5°
NAZCAQCAVH3119.4°118.8°
CAUCATCBDH27121.6°120.0°
CAUCATCBDH28121.6°120.0°
CAUCATCBDCAG151.0°90.0°
CATCAUH25H26119.5°120.0°
CAUCATH27H28114.9°120.1°
CATCBDCAGCAE179.4°180.0°
CBDCATCAUH2531.6°60.1°
CBDCATCAUH2688.1°60.0°
CBDCATH27H28114.8°120.0°
CATCBDCAGH290.6°0.0°
CATCBDCAHH330.3°0.3°
CBDCAGCAECAD0.5°0.0°
CBDCAGCAEH29180.0°180.0°
CAGCBDCATH2729.4°30.0°
CAGCBDCATH2887.4°150.0°
CBDCAGCAEH30179.5°180.0°
CAGCBDCAHH33179.7°180.0°
CADCAECAGH30180.0°180.0°
CADCAECAGH29179.5°180.0°
CAECADCAFH32179.8°179.9°
CAGCAECADH31179.4°180.0°
H1CAQCAVH20.7°0.0°
H1CAQCAVH3121.1°122.7°
H1CAQNAZH3460.7°61.5°
H2CAVCAQH35120.2°122.8°
H3CAVCAQH350.2°0.1°
H4CAWCARH6103.8°65.7°
H4CAWCARH715.0°174.3°
H5CAWCARH6137.9°54.2°
H5CAWCARH7103.3°65.7°
H10CAAH11H12120.0°119.9°
H13CASCAPH14162.4°180.0°
H13CASCAPH3780.0°60.0°
H14CAPCAOH1585.1°180.0°
H14CAPCAOH16156.0°60.0°
H14CAPCASH3644.5°60.0°
H15CAOCANH1792.4°180.0°
H15CAOCANH1826.7°60.1°
H15CAOCAPH3732.5°60.0°
H16CAOCANH17148.6°60.0°
H16CAOCANH1892.3°179.9°
H16CAOCAPH3786.4°180.0°
H17CANNABH1959.6°60.0°
H17CANNABH2060.5°176.1°
H18CANNABH1959.5°59.9°
H18CANNABH20179.6°64.0°
H22CAICAJH230.0°0.1°
H25CAUCATH27153.2°180.0°
H25CAUCATH2890.0°59.9°
H26CAUCATH2733.5°60.0°
H26CAUCATH28150.3°180.0°
H29CAGCAEH300.5°0.0°
H30CAECADH310.6°0.0°
H31CADCAFH320.2°0.0°
H32CAFCAHH330.2°0.2°
H34NAZCAQH3560.3°61.2°
H36CASCAPH37162.1°179.9°

218500

PDB entries from 2024-04-17

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