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T51

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAENBSsing1.22Å1.36Å
CATCAPdoub1.38Å1.37ÅAromatic
CATCBMsing1.38Å1.35ÅAromatic
CAPCBIsing1.38Å1.36ÅAromatic
NBSCBMsing1.48Å1.36Å
NBSOADdoub1.22Å1.37Å
CBMCAUdoub1.38Å1.35ÅAromatic
CBICBPdoub1.40Å1.36ÅAromatic
CAGCAHdoub1.38Å1.37ÅAromatic
CAGCAKsing1.38Å1.37ÅAromatic
CAHCALsing1.38Å1.38ÅAromatic
CAUCBPsing1.40Å1.36ÅAromatic
CBPCBGsing1.48Å1.48Å
CAKCBKdoub1.38Å1.38ÅAromatic
CBBCBHsing1.51Å1.51Å
CBBNBRsing1.47Å1.47Å
CBHCAMdoub1.38Å1.37ÅAromatic
CBHCANsing1.38Å1.37ÅAromatic
CALCBLdoub1.38Å1.37ÅAromatic
CAMCARsing1.38Å1.37ÅAromatic
CAXNBRsing1.47Å1.46Å
CAXCAVsing1.53Å1.53Å
CANCASdoub1.38Å1.38ÅAromatic
CARCBJdoub1.40Å1.37ÅAromatic
CBKCBLsing1.38Å1.36ÅAromatic
CBKCAZsing1.51Å1.50Å
CBGOACdoub1.22Å1.17Å
CBGNBDsing1.35Å1.30Å
NBRCAYsing1.47Å1.47Å
CASCBJsing1.40Å1.37ÅAromatic
CBJCBFsing1.48Å1.48Å
NBCCBFsing1.35Å1.31Å
NBCCAZsing1.47Å1.43Å
CBLCBAsing1.51Å1.49Å
NBDCBNsing1.40Å1.32Å
CBFOABdoub1.22Å1.18Å
CAVNBQsing1.47Å1.48Å
CAYCAWsing1.53Å1.52Å
CAANBQsing1.47Å1.47Å
OBECBAsing1.43Å1.41Å
OBECBOsing1.36Å1.35Å
NBQCAWsing1.47Å1.47Å
CBNCBOdoub1.39Å1.34ÅAromatic
CBNCAOsing1.39Å1.35ÅAromatic
CBOCAQsing1.39Å1.36ÅAromatic
CAOCAIdoub1.38Å1.37ÅAromatic
CAQCAJdoub1.38Å1.37ÅAromatic
CAICAJsing1.38Å1.36ÅAromatic
CAUH1sing1.08Å1.08Å
CATH2sing1.08Å1.08Å
CAPH3sing1.08Å1.08Å
CBIH4sing1.08Å1.08Å
NBDH5sing0.97Å1.00Å
CAOH6sing1.08Å1.08Å
CAIH7sing1.08Å1.08Å
CAJH8sing1.08Å1.08Å
CAQH9sing1.08Å1.08Å
CBAH10sing1.09Å1.10Å
CBAH11sing1.09Å1.10Å
CALH12sing1.08Å1.08Å
CAHH13sing1.08Å1.08Å
CAGH14sing1.08Å1.08Å
CAKH15sing1.08Å1.08Å
CAZH16sing1.09Å1.10Å
CAZH17sing1.09Å1.10Å
NBCH18sing0.97Å1.00Å
CASH19sing1.08Å1.08Å
CANH20sing1.08Å1.08Å
CARH21sing1.08Å1.08Å
CAMH22sing1.08Å1.08Å
CBBH23sing1.09Å1.10Å
CBBH24sing1.09Å1.10Å
CAXH26sing1.09Å1.10Å
CAXH27sing1.09Å1.10Å
CAVH28sing1.09Å1.10Å
CAVH29sing1.09Å1.10Å
CAAH31sing1.09Å1.10Å
CAAH32sing1.09Å1.10Å
CAAH33sing1.09Å1.10Å
CAWH34sing1.09Å1.10Å
CAWH35sing1.09Å1.10Å
CAYH36sing1.09Å1.10Å
CAYH37sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAENBSCBM119.4°120.0°
OAENBSOAD120.2°120.0°
CAPCATCBM118.2°120.3°
CATCAPCBI121.1°120.2°
CAPCATH2120.9°119.9°
CATCAPH3119.5°119.9°
CATCBMNBS121.5°119.9°
CATCBMCAU121.3°120.2°
CBMCATH2120.9°119.9°
CAPCBICBP119.8°119.8°
CBICAPH3119.5°119.9°
CAPCBIH4120.1°120.1°
CBMNBSOAD120.4°120.0°
NBSCBMCAU117.2°120.0°
CBMCAUCBP120.8°119.9°
CBMCAUH1119.6°120.0°
CBICBPCAU118.9°119.7°
CBICBPCBG126.1°120.1°
CBPCBIH4120.1°120.1°
CAHCAGCAK119.5°120.1°
CAGCAHCAL118.7°120.0°
CAGCAHH13120.6°120.0°
CAHCAGH14120.2°120.0°
CAGCAKCBK121.5°119.9°
CAKCAGH14120.3°120.0°
CAGCAKH15119.2°120.0°
CAHCALCBL121.7°120.0°
CAHCALH12119.2°120.0°
CALCAHH13120.6°120.0°
CAUCBPCBG115.0°120.2°
CBPCAUH1119.6°120.1°
CBPCBGOAC116.8°120.0°
CBPCBGNBD120.6°120.0°
CAKCBKCBL118.9°120.0°
CAKCBKCAZ121.4°120.0°
CBKCAKH15119.2°120.0°
CBHCBBNBR110.3°109.5°
CBBCBHCAM120.0°119.9°
CBBCBHCAN121.1°119.9°
CBHCBBH23109.3°109.5°
CBHCBBH24109.3°109.5°
CBBNBRCAX111.2°111.0°
CBBNBRCAY111.1°111.0°
NBRCBBH23109.3°109.5°
NBRCBBH24109.3°109.5°
CAMCBHCAN118.9°120.2°
CBHCAMCAR120.6°120.2°
CBHCAMH22119.7°119.9°
CBHCANCAS120.3°120.2°
CBHCANH20119.8°119.9°
CALCBLCBK119.6°119.9°
CALCBLCBA120.2°120.0°
CBLCALH12119.2°119.9°
CAMCARCBJ120.8°119.8°
CAMCARH21119.6°120.1°
CARCAMH22119.7°119.9°
NBRCAXCAV109.7°109.4°
CAXNBRCAY108.5°110.9°
NBRCAXH26109.4°109.5°
NBRCAXH27109.4°109.5°
CAXCAVNBQ111.4°109.4°
CAVCAXH26109.4°109.5°
CAVCAXH27109.4°109.5°
CAXCAVH28109.0°109.5°
CAXCAVH29109.0°109.5°
CANCASCBJ120.8°119.8°
CANCASH19119.6°120.1°
CASCANH20119.9°119.9°
CARCBJCAS118.6°119.7°
CARCBJCBF120.9°120.1°
CBJCARH21119.6°120.1°
CBLCBKCAZ119.6°120.0°
CBKCBLCBA120.2°120.0°
CBKCAZNBC110.0°109.4°
CBKCAZH16109.3°109.5°
CBKCAZH17109.3°109.4°
OACCBGNBD122.5°120.0°
CBGNBDCBN125.6°120.0°
CBGNBDH5117.2°120.0°
NBRCAYCAW109.5°109.4°
NBRCAYH36109.5°109.5°
NBRCAYH37109.5°109.5°
CASCBJCBF120.5°120.2°
CBJCASH19119.6°120.1°
CBJCBFNBC122.6°120.0°
CBJCBFOAB117.0°120.0°
CBFNBCCAZ123.0°120.0°
NBCCBFOAB120.4°120.0°
CBFNBCH18118.5°120.0°
NBCCAZH16109.3°109.5°
NBCCAZH17109.3°109.5°
CAZNBCH18118.5°120.0°
CBLCBAOBE108.7°109.5°
CBLCBAH10109.6°109.5°
CBLCBAH11109.7°109.5°
NBDCBNCBO117.6°120.1°
NBDCBNCAO122.4°120.1°
CBNNBDH5117.2°120.0°
CAVNBQCAA111.7°111.0°
CAVNBQCAW112.2°110.9°
NBQCAVH28109.0°109.5°
NBQCAVH29109.0°109.5°
CAYCAWNBQ111.1°109.4°
CAYCAWH34109.1°109.5°
CAYCAWH35109.0°109.5°
CAWCAYH36109.5°109.5°
CAWCAYH37109.5°109.5°
CAANBQCAW110.7°111.0°
NBQCAAH31109.5°109.5°
NBQCAAH32109.5°109.5°
NBQCAAH33109.5°109.5°
CBAOBECBO124.2°117.0°
OBECBAH10109.7°109.5°
OBECBAH11109.6°109.4°
OBECBOCBN116.8°120.1°
OBECBOCAQ122.6°120.1°
NBQCAWH34109.0°109.5°
NBQCAWH35109.0°109.5°
CBOCBNCAO120.0°119.8°
CBNCBOCAQ120.7°119.8°
CBNCAOCAI120.0°120.0°
CBNCAOH6120.0°120.0°
CBOCAQCAJ119.9°120.0°
CBOCAQH9120.0°120.0°
CAOCAICAJ120.2°120.2°
CAICAOH6120.0°120.0°
CAOCAIH7119.9°119.9°
CAQCAJCAI119.1°120.2°
CAQCAJH8120.4°119.9°
CAJCAQH9120.0°120.0°
CAJCAIH7119.9°120.0°
CAICAJH8120.4°119.9°
H10CBAH11109.5°109.4°
H16CAZH17109.5°109.5°
H23CBBH24109.5°109.4°
H26CAXH27109.5°109.5°
H28CAVH29109.4°109.5°
H31CAAH32109.4°109.4°
H31CAAH33109.5°109.4°
H32CAAH33109.5°109.5°
H34CAWH35109.5°109.5°
H36CAYH37109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAENBSCBMCAT19.2°0.6°
OAENBSCBMOAD179.5°179.7°
OAENBSCBMCAU161.2°179.7°
CAPCATCBMH2180.0°180.0°
CATCAPCBIH3180.0°180.0°
CAPCATCBMNBS179.3°180.0°
CAPCATCBMCAU0.2°0.3°
CATCAPCBICBP0.2°0.2°
CATCAPCBIH4179.8°179.9°
CBMCATCAPCBI0.3°0.0°
CATCBMNBSCAU179.6°179.7°
CATCBMNBSOAD160.3°179.8°
CATCBMCAUCBP0.3°0.3°
CATCBMCAUH1179.7°179.8°
CBMCATCAPH3179.7°180.0°
CAPCBICBPH4180.0°179.7°
CAPCBICBPCAU0.7°0.2°
CAPCBICBPCBG179.8°179.7°
CBICAPCATH2179.7°180.0°
NBSCBMCAUCBP179.8°180.0°
NBSCBMCAUH10.2°0.1°
NBSCBMCATH20.7°0.0°
OADNBSCBMCAU19.2°0.0°
CBMCAUCBPCBI0.7°0.1°
CBMCAUCBPH1180.0°179.9°
CBMCAUCBPCBG179.7°180.0°
CAUCBMCATH2179.8°179.7°
CBICBPCAUCBG179.5°179.9°
CBICBPCBGOAC122.9°179.9°
CBICBPCBGNBD60.2°0.0°
CBICBPCAUH1179.3°180.0°
CBPCBICAPH3179.8°179.8°
CAHCAGCAKH14180.0°180.0°
CAGCAHCALH13180.0°179.9°
CAHCAGCAKCBK0.1°0.2°
CAGCAHCALCBL0.9°0.0°
CAGCAHCALH12179.2°180.0°
CAHCAGCAKH15179.9°180.0°
CAKCAGCAHCAL0.6°0.1°
CAGCAKCBKH15180.0°179.8°
CAGCAKCBKCBL0.5°0.5°
CAGCAKCBKCAZ179.5°180.0°
CAKCAGCAHH13179.4°180.0°
CAHCALCBLH12180.0°180.0°
CAHCALCBLCBK0.4°0.3°
CAHCALCBLCBA179.7°180.0°
CALCAHCAGH14179.4°180.0°
CAUCBPCBGOAC56.6°0.0°
CAUCBPCBGNBD120.4°179.9°
CAUCBPCBIH4179.3°179.9°
CBPCBGOACNBD176.9°179.9°
CBPCBGNBDCBN169.5°175.5°
CBGCBPCAUH10.3°0.1°
CBGCBPCBIH40.2°0.0°
CBPCBGNBDH510.5°4.4°
CAKCBKCBLCAL0.3°0.5°
CAKCBKCBLCAZ179.0°179.5°
CAKCBKCAZNBC11.7°100.1°
CAKCBKCBLCBA179.6°179.7°
CBKCAKCAGH14179.9°179.8°
CAKCBKCAZH16108.3°19.9°
CAKCBKCAZH17131.8°140.0°
CBHCBBNBRH23120.1°120.0°
CBHCBBNBRH24120.1°120.0°
CBBCBHCAMCAN179.9°179.7°
CBBCBHCAMCAR179.8°180.0°
CBHCBBNBRCAX154.5°66.2°
CBBCBHCANCAS179.9°180.0°
CBHCBBNBRCAY84.6°170.0°
CBBCBHCANH200.1°0.0°
CBBCBHCAMH220.2°0.0°
CBHCBBH23H24119.6°120.0°
NBRCBBCBHCAM83.3°90.0°
NBRCBBCBHCAN96.8°90.3°
CBBNBRCAXCAY122.4°123.9°
CBBNBRCAXCAV175.2°176.8°
CBBNBRCAYCAW174.0°176.8°
NBRCBBH23H24119.6°120.0°
CBBNBRCAXH2655.2°56.8°
CBBNBRCAXH2764.7°63.2°
CBBNBRCAYH3665.9°63.3°
CBBNBRCAYH3754.0°56.8°
CBHCAMCARH22180.0°180.0°
CAMCBHCANCAS0.2°0.3°
CBHCAMCARCBJ0.2°0.1°
CAMCBHCANH20179.8°179.7°
CBHCAMCARH21179.8°180.0°
CAMCBHCBBH2336.7°150.0°
CAMCBHCBBH24156.5°30.0°
CANCBHCAMCAR0.3°0.3°
CBHCANCASH20180.0°180.0°
CBHCANCASCBJ0.0°0.0°
CBHCANCASH19180.0°179.9°
CANCBHCAMH22179.7°179.7°
CANCBHCBBH23143.1°29.7°
CANCBHCBBH2423.4°149.6°
CALCBLCBKCBA179.9°179.7°
CALCBLCBKCAZ179.3°179.9°
CALCBLCBAOBE85.2°0.0°
CALCBLCBAH10154.9°120.0°
CALCBLCBAH1134.7°120.0°
CBLCALCAHH13179.2°180.0°
CAMCARCBJH21180.0°179.9°
CAMCARCBJCAS0.0°0.2°
CAMCARCBJCBF180.0°180.0°
NBRCAXCAVH26120.0°120.0°
NBRCAXCAVH27120.1°120.0°
NBRCAXCAVNBQ56.2°58.4°
CAXNBRCAYCAW63.5°59.3°
CAXNBRCBBH2334.4°53.8°
CAXNBRCBBH2485.3°173.8°
NBRCAXH26H27119.9°120.1°
NBRCAXCAVH2864.1°61.5°
NBRCAXCAVH29176.5°178.4°
CAXNBRCAYH3656.5°60.6°
CAXNBRCAYH37176.5°179.3°
CAVCAXNBRCAY62.4°59.3°
CAXCAVNBQH28120.3°119.9°
CAXCAVNBQH29120.3°120.0°
CAXCAVNBQCAA73.9°64.5°
CAXCAVNBQCAW51.0°59.3°
CAVCAXH26H27119.9°120.0°
CAXCAVH28H29119.1°120.1°
CANCASCBJCAR0.1°0.2°
CANCASCBJH19180.0°179.9°
CANCASCBJCBF179.8°180.0°
CARCBJCASCBF179.9°179.8°
CARCBJCBFNBC25.3°0.3°
CARCBJCBFOAB153.6°179.8°
CARCBJCASH19179.9°179.8°
CBJCARCAMH22179.8°179.9°
CBLCBKCAZNBC169.3°79.5°
CBKCBLCBAOBE94.9°179.7°
CBKCBLCBAH1025.0°59.7°
CBKCBLCBAH11145.2°60.3°
CBKCBLCALH12179.6°179.7°
CBLCBKCAKH15179.5°179.7°
CBLCBKCAZH1670.6°160.5°
CBLCBKCAZH1749.2°40.5°
CBKCAZNBCCBF113.1°180.0°
CBKCAZNBCH16120.1°120.0°
CBKCAZNBCH17120.1°119.9°
CAZCBKCBLCBA0.6°0.2°
CAZCBKCAKH150.5°0.2°
CBKCAZH16H17119.7°120.0°
CBKCAZNBCH1866.9°0.1°
OACCBGNBDCBN7.3°4.5°
OACCBGNBDH5172.7°175.6°
CBGNBDCBNH5180.0°179.9°
CBGNBDCBNCBO131.9°145.6°
CBGNBDCBNCAO50.7°34.7°
NBRCAYCAWH36120.0°119.9°
NBRCAYCAWH37120.0°120.0°
NBRCAYCAWNBQ58.4°58.4°
CAYNBRCBBH23155.3°70.0°
CAYNBRCBBH2435.6°50.0°
CAYNBRCAXH26177.6°179.3°
CAYNBRCAXH2757.7°60.6°
NBRCAYCAWH34178.6°61.6°
NBRCAYCAWH3561.9°178.4°
NBRCAYH36H37120.0°120.1°
CASCBJCBFNBC154.7°180.0°
CASCBJCBFOAB26.4°0.0°
CBJCASCANH20180.0°180.0°
CASCBJCARH21180.0°179.7°
CBJCBFNBCOAB178.9°180.0°
CBJCBFNBCCAZ165.1°180.0°
CBJCBFNBCH1814.8°0.0°
CBFCBJCASH190.1°0.1°
CBFCBJCARH210.1°0.0°
CBFNBCCAZH18180.0°179.9°
CBFNBCCAZH167.0°60.0°
CBFNBCCAZH17126.8°60.1°
CAZNBCCBFOAB13.7°0.0°
NBCCAZH16H17119.7°120.0°
CBLCBAOBEH10119.9°120.0°
CBLCBAOBEH11119.9°120.0°
CBLCBAOBECBO172.5°180.0°
CBLCBAH10H11120.4°120.0°
CBACBLCALH120.3°0.0°
NBDCBNCBOOBE1.2°0.1°
NBDCBNCBOCAO177.5°179.7°
NBDCBNCBOCAQ179.5°179.7°
NBDCBNCAOCAI179.4°180.0°
NBDCBNCAOH60.6°0.1°
OABCBFNBCH18166.3°179.9°
CAVNBQCAWCAY52.1°59.3°
CAVNBQCAACAW125.8°123.8°
NBQCAVCAXH26176.2°178.4°
NBQCAVCAXH2763.9°61.6°
NBQCAVH28H29119.1°120.1°
CAVNBQCAAH31180.0°60.0°
CAVNBQCAAH3260.0°180.0°
CAVNBQCAAH3360.0°60.0°
CAVNBQCAWH34172.4°60.6°
CAVNBQCAWH3568.1°179.3°
CAYCAWNBQCAA73.4°64.5°
CAYCAWNBQH34120.3°120.0°
CAYCAWNBQH35120.2°120.0°
CAYCAWH34H35119.2°120.0°
CAWCAYH36H37120.0°120.1°
CAANBQCAVH28165.9°175.5°
CAANBQCAVH2946.4°55.4°
NBQCAAH31H32120.0°120.1°
NBQCAAH31H33120.0°120.0°
NBQCAAH32H33120.0°120.0°
CAANBQCAWH3446.9°175.5°
CAANBQCAWH35166.4°55.4°
CBAOBECBOCBN175.9°180.0°
CBAOBECBOCAQ3.3°0.3°
OBECBAH10H11120.3°119.9°
OBECBOCBNCAQ179.3°179.6°
OBECBOCBNCAO178.7°179.8°
OBECBOCAQCAJ179.7°179.8°
OBECBOCAQH90.3°0.1°
CBOOBECBAH1052.6°60.0°
CBOOBECBAH1167.6°59.9°
CAWNBQCAVH2869.2°60.6°
CAWNBQCAVH29171.4°179.3°
CAWNBQCAAH3154.2°63.8°
CAWNBQCAAH32174.2°56.2°
CAWNBQCAAH3365.8°176.2°
NBQCAWH34H35119.2°120.0°
NBQCAWCAYH3661.6°61.5°
NBQCAWCAYH37178.4°178.4°
CBOCBNCAOCAI2.0°0.3°
CBNCBOCAQCAJ1.0°0.6°
CBOCBNNBDH548.2°34.3°
CBOCBNCAOH6178.0°179.8°
CBNCBOCAQH9179.0°179.7°
CAOCBNCBOCAQ2.0°0.6°
CBNCAOCAIH6180.0°180.0°
CBNCAOCAICAJ1.1°0.0°
CAOCBNNBDH5129.3°145.4°
CBNCAOCAIH7178.9°180.0°
CBOCAQCAJH9180.0°179.7°
CBOCAQCAJCAI0.1°0.3°
CBOCAQCAJH8179.9°179.8°
CAOCAICAJCAQ0.1°0.0°
CAOCAICAJH7180.0°180.0°
CAOCAICAJH8179.9°179.9°
CAQCAJCAIH8180.0°179.9°
CAQCAJCAIH7179.9°180.0°
CAJCAICAOH6178.9°180.0°
CAICAJCAQH9179.9°180.0°
H2CATCAPH30.3°0.1°
H3CAPCBIH40.2°0.1°
H6CAOCAIH71.1°0.0°
H7CAICAJH80.1°0.0°
H8CAJCAQH90.1°0.1°
H12CALCAHH130.8°0.0°
H13CAHCAGH140.6°0.0°
H14CAGCAKH150.1°0.0°
H16CAZNBCH18173.0°119.9°
H17CAZNBCH1853.2°120.0°
H19CASCANH200.0°0.1°
H21CARCAMH220.2°0.0°
H26CAXCAVH2855.9°58.4°
H26CAXCAVH2963.5°61.6°
H27CAXCAVH28175.8°178.5°
H27CAXCAVH2956.4°58.4°
H31CAAH32H33120.0°119.9°
H34CAWCAYH3658.6°178.5°
H34CAWCAYH3761.4°58.4°
H35CAWCAYH36178.1°58.4°
H35CAWCAYH3758.2°61.6°

223166

PDB entries from 2024-07-31

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