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BS2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAYCALsing1.41Å1.38ÅAromatic
CAYCAWdoub1.33Å1.37ÅAromatic
CAYCBDsing1.48Å1.55Å
CALCAFdoub1.37Å1.38ÅAromatic
CAFCADsing1.38Å1.38ÅAromatic
CADCAJdoub1.37Å1.38ÅAromatic
CAJCAWsing1.42Å1.39ÅAromatic
CAWCANsing1.51Å1.52Å
CANCAOsing1.50Å1.54Å
CAOCAXsing1.51Å1.54Å
CAXCAKsing1.41Å1.41ÅAromatic
CAXCAZdoub1.33Å1.41ÅAromatic
CAKCAEdoub1.37Å1.39ÅAromatic
CAECAGsing1.38Å1.40ÅAromatic
CAGCAMdoub1.37Å1.41ÅAromatic
CAMCAZsing1.41Å1.39ÅAromatic
CAZCBDsing1.48Å1.59Å
CBDOAUsing1.43Å1.48Å
OAUCBAsing1.43Å1.47Å
CBACATsing1.53Å1.54Å
CBACASsing1.53Å1.53Å
CATCBCsing1.54Å1.53Å
CASCBBsing1.54Å1.54Å
CBBCAPsing1.55Å1.55Å
CBBNBEsing1.49Å1.48Å
CAPCAQsing1.54Å1.56Å
CAQCBCsing1.55Å1.53Å
CBCNBEsing1.49Å1.48Å
NBECARsing1.47Å1.48Å
CARCAVsing1.51Å1.54Å
CAVCAHsing1.38Å1.39ÅAromatic
CAVCAIdoub1.38Å1.39ÅAromatic
CAHCABdoub1.38Å1.39ÅAromatic
CABCAAsing1.38Å1.38ÅAromatic
CAACACdoub1.38Å1.38ÅAromatic
CACCAIsing1.38Å1.39ÅAromatic
CALHALsing1.08Å1.08Å
CBDHBDsing1.09Å1.10Å
CAFHAFsing1.08Å1.08Å
CADHADsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CANHAN1sing1.09Å1.10Å
CANHAN2sing1.09Å1.10Å
CAOHAO1sing1.09Å1.10Å
CAOHAO2sing1.09Å1.10Å
CAKHAKsing1.08Å1.08Å
CAEHAEsing1.08Å1.08Å
CAGHAGsing1.08Å1.08Å
CAMHAMsing1.08Å1.08Å
CBAHBAsing1.09Å1.10Å
CATHAT1sing1.09Å1.10Å
CATHAT2sing1.09Å1.10Å
CASHAS1sing1.09Å1.10Å
CASHAS2sing1.09Å1.10Å
CBCHBCsing1.09Å1.10Å
CBBHBBsing1.09Å1.10Å
CAPHAP1sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
CAQHAQ1sing1.09Å1.10Å
CAQHAQ2sing1.09Å1.10Å
CARHAR1sing1.09Å1.10Å
CARHAR2sing1.09Å1.10Å
CAHHAHsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CABHABsing1.08Å1.08Å
CAAHAAsing1.08Å1.08Å
CACHACsing1.08Å1.08Å
NBEHBEsing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CALCAYCAW120.0°120.1°
CALCAYCBD113.8°112.1°
CAYCALCAF119.4°121.6°
CAYCALHAL120.3°119.2°
CAWCAYCBD126.3°127.8°
CAYCAWCAJ121.4°118.4°
CAYCAWCAN123.6°132.3°
CAYCBDCAZ111.5°124.7°
CAYCBDOAU108.8°106.3°
CAYCBDHBD113.5°106.3°
CALCAFCAD120.5°118.7°
CAFCALHAL120.3°119.2°
CALCAFHAF119.7°120.6°
CAFCADCAJ120.3°119.2°
CADCAFHAF119.8°120.7°
CAFCADHAD119.9°120.4°
CADCAJCAW118.3°122.1°
CAJCADHAD119.8°120.4°
CADCAJHAJ120.9°119.0°
CAJCAWCAN114.9°109.2°
CAWCAJHAJ120.8°119.0°
CAWCANCAO104.2°114.7°
CAWCANHAN1111.3°108.4°
CAWCANHAN2112.4°108.5°
CANCAOCAX109.5°114.8°
CAOCANHAN1111.3°108.4°
CAOCANHAN2112.4°108.4°
CANCAOHAO1109.5°108.4°
CANCAOHAO2109.4°108.4°
CAOCAXCAK108.8°109.4°
CAOCAXCAZ128.6°132.1°
CAXCAOHAO1109.4°108.4°
CAXCAOHAO2109.5°108.5°
CAKCAXCAZ122.6°118.5°
CAXCAKCAE119.6°122.0°
CAXCAKHAK120.2°119.0°
CAXCAZCAM116.8°119.9°
CAXCAZCBD131.1°128.0°
CAKCAECAG118.6°119.1°
CAECAKHAK120.2°118.9°
CAKCAEHAE120.7°120.5°
CAECAGCAM121.5°118.7°
CAGCAEHAE120.7°120.4°
CAECAGHAG119.2°120.7°
CAGCAMCAZ120.9°121.7°
CAMCAGHAG119.2°120.7°
CAGCAMHAM119.6°119.2°
CAMCAZCBD112.1°112.0°
CAZCAMHAM119.6°119.2°
CAZCBDOAU120.4°106.3°
CAZCBDHBD99.4°106.3°
CBDOAUCBA117.5°114.0°
OAUCBDHBD102.7°105.5°
OAUCBACAT113.1°109.4°
OAUCBACAS110.3°109.5°
OAUCBAHBA105.7°109.4°
CATCBACAS107.3°109.7°
CBACATCBC109.9°108.9°
CATCBAHBA108.9°109.4°
CBACATHAT1109.3°109.6°
CBACATHAT2109.2°109.6°
CBACASCBB109.2°108.9°
CASCBAHBA111.7°109.4°
CBACASHAS1109.5°109.6°
CBACASHAS2109.6°109.5°
CATCBCCAQ108.1°107.8°
CATCBCNBE111.3°107.2°
CBCCATHAT1109.3°109.6°
CBCCATHAT2109.2°109.6°
CATCBCHBC107.1°112.2°
CASCBBCAP109.3°107.8°
CASCBBNBE110.5°107.2°
CBBCASHAS1109.6°109.6°
CBBCASHAS2109.6°109.5°
CASCBBHBB106.9°112.1°
CAPCBBNBE102.3°104.3°
CBBCAPCAQ103.2°104.8°
CAPCBBHBB114.4°112.2°
CBBCAPHAP1111.6°110.4°
CBBCAPHAP2113.0°110.4°
CBBNBECBC102.2°103.4°
CBBNBECAR112.4°110.6°
NBECBBHBB113.4°112.8°
CBBNBEHBE111.0°110.6°
CAPCAQCBC105.1°104.8°
CAQCAPHAP1111.7°110.4°
CAQCAPHAP2113.0°110.3°
CAPCAQHAQ1110.9°110.3°
CAPCAQHAQ2111.9°110.4°
CAQCBCNBE102.1°104.3°
CAQCBCHBC115.6°112.2°
CBCCAQHAQ1111.0°110.4°
CBCCAQHAQ2111.9°110.3°
CBCNBECAR105.1°110.6°
NBECBCHBC112.6°112.7°
CBCNBEHBE117.7°110.6°
NBECARCAV117.5°109.5°
NBECARHAR1106.9°109.5°
NBECARHAR2105.0°109.5°
CARNBEHBE108.3°110.7°
CARCAVCAH122.0°120.0°
CARCAVCAI118.8°120.0°
CAVCARHAR1106.9°109.4°
CAVCARHAR2105.1°109.5°
CAHCAVCAI119.2°120.0°
CAVCAHCAB120.9°120.0°
CAVCAHHAH119.6°120.0°
CAVCAICAC119.7°119.9°
CAVCAIHAI120.2°120.0°
CAHCABCAA119.3°120.0°
CABCAHHAH119.6°120.0°
CAHCABHAB120.3°120.0°
CABCAACAC120.4°120.0°
CAACABHAB120.4°120.0°
CABCAAHAA119.8°120.0°
CAACACCAI120.5°120.0°
CACCAAHAA119.8°120.0°
CAACACHAC119.7°120.0°
CACCAIHAI120.1°120.1°
CAICACHAC119.7°120.0°
HAN1CANHAN2105.5°108.2°
HAO1CAOHAO2109.5°108.2°
HAT1CATHAT2109.8°109.6°
HAS1CASHAS2109.3°109.7°
HAP1CAPHAP2104.7°110.4°
HAQ1CAQHAQ2106.1°110.5°
HAR1CARHAR2116.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CALCAYCAWCBD179.7°177.1°
CAYCALCAFHAL180.0°180.0°
CAYCALCAFCAD0.4°0.0°
CALCAYCAWCAJ2.6°3.7°
CALCAYCAWCAN178.2°173.2°
CALCAYCBDCAZ133.3°173.0°
CALCAYCBDOAU91.6°63.0°
CALCAYCBDHBD22.1°49.1°
CAYCALCAFHAF179.6°180.0°
CAWCAYCALCAF0.6°2.6°
CAYCAWCAJCAD3.4°2.6°
CAYCAWCAJCAN176.0°177.6°
CAYCAWCANCAO75.9°46.5°
CAWCAYCBDCAZ47.0°4.3°
CAWCAYCBDOAU88.1°119.7°
CAWCAYCALHAL179.4°177.4°
CAWCAYCBDHBD158.2°128.3°
CAYCAWCAJHAJ176.6°177.4°
CAYCAWCANHAN144.1°74.8°
CAYCAWCANHAN2162.2°167.9°
CBDCAYCALCAF179.7°175.0°
CBDCAYCAWCAJ177.8°173.4°
CBDCAYCAWCAN2.2°9.7°
CAYCBDCAZCAX20.5°4.3°
CAYCBDCAZCAM157.6°171.8°
CAYCBDCAZOAU129.2°124.0°
CAYCBDCAZHBD120.0°124.0°
CAYCBDOAUHBD120.6°112.7°
CAYCBDOAUCBA44.7°65.0°
CBDCAYCALHAL0.3°5.1°
CALCAFCADHAF180.0°179.9°
CALCAFCADCAJ0.5°1.2°
CALCAFCADHAD179.5°178.8°
CAFCADCAJHAD180.0°180.0°
CAFCADCAJCAW2.4°0.1°
CADCAFCALHAL179.6°180.0°
CAFCADCAJHAJ177.6°180.0°
CADCAJCAWHAJ180.0°180.0°
CADCAJCAWCAN179.4°175.0°
CAJCADCAFHAF179.5°178.8°
CAJCAWCANCAO100.0°136.4°
CAWCAJCADHAD177.6°179.9°
CAJCAWCANHAN1140.1°102.3°
CAJCAWCANHAN222.0°15.0°
CAWCANCAOHAN1120.0°121.3°
CAWCANCAOHAN2122.0°121.4°
CAWCANCAOCAX81.7°61.6°
CANCAWCAJHAJ0.6°4.9°
CAWCANHAN1HAN2122.2°117.5°
CAWCANCAOHAO1158.3°177.0°
CAWCANCAOHAO238.3°59.8°
CANCAOCAXHAO1120.0°121.3°
CANCAOCAXHAO2120.0°121.4°
CANCAOCAXCAK146.3°134.5°
CANCAOCAXCAZ31.7°46.1°
CAOCANHAN1HAN2122.1°117.4°
CANCAOHAO1HAO2119.9°117.4°
CAOCAXCAKCAZ178.1°179.5°
CAOCAXCAKCAE179.0°177.0°
CAOCAXCAZCAM179.2°174.9°
CAOCAXCAZCBD2.8°9.3°
CAXCAOCANHAN138.3°59.7°
CAXCAOCANHAN2156.3°177.0°
CAXCAOHAO1HAO2120.0°117.4°
CAOCAXCAKHAK1.0°3.0°
CAXCAKCAEHAK180.0°180.0°
CAXCAKCAECAG0.4°0.7°
CAKCAXCAZCAM1.5°4.5°
CAKCAXCAZCBD179.5°171.4°
CAKCAXCAOHAO126.3°13.2°
CAKCAXCAOHAO293.7°104.1°
CAXCAKCAEHAE179.6°179.3°
CAZCAXCAKCAE0.9°2.5°
CAXCAZCAMCAG0.8°3.6°
CAXCAZCAMCBD178.4°176.5°
CAXCAZCBDOAU108.7°128.3°
CAXCAZCBDHBD140.5°119.7°
CAZCAXCAOHAO1151.7°167.4°
CAZCAXCAOHAO288.3°75.4°
CAZCAXCAKHAK179.1°177.5°
CAXCAZCAMHAM179.2°176.4°
CAKCAECAGHAE180.0°180.0°
CAKCAECAGCAM1.0°1.7°
CAKCAECAGHAG179.0°178.3°
CAECAGCAMHAG180.0°180.0°
CAECAGCAMCAZ0.4°0.3°
CAGCAECAKHAK179.6°179.3°
CAECAGCAMHAM179.6°179.6°
CAGCAMCAZHAM180.0°179.9°
CAGCAMCAZCBD179.2°172.9°
CAMCAGCAEHAE179.0°178.3°
CAMCAZCBDOAU73.2°47.8°
CAMCAZCBDHBD37.6°64.2°
CAZCAMCAGHAG179.6°179.7°
CAZCBDOAUHBD109.0°112.6°
CAZCBDOAUCBA175.1°69.7°
CBDCAZCAMHAM0.8°7.2°
CBDOAUCBACAT89.7°114.8°
CBDOAUCBACAS150.2°125.0°
CBDOAUCBAHBA29.3°5.1°
OAUCBACATCAS121.9°120.1°
OAUCBACATHBA117.2°119.9°
OAUCBACASHBA117.2°119.9°
OAUCBACATCBC67.7°66.1°
OAUCBACASCBB68.4°66.0°
CBAOAUCBDHBD75.8°177.7°
OAUCBACATHAT152.3°53.7°
OAUCBACATHAT2172.5°174.1°
OAUCBACASHAS1171.6°174.1°
OAUCBACASHAS251.7°53.7°
CATCBACASHBA119.2°120.1°
CBACATCBCHAT1120.0°119.8°
CBACATCBCHAT2119.8°119.8°
CATCBACASCBB55.2°54.0°
CBACATCBCCAQ48.1°47.7°
CBACATCBCNBE63.3°64.1°
CBACATHAT1HAT2119.8°120.3°
CATCBACASHAS164.8°65.8°
CATCBACASHAS2175.3°173.8°
CBACATCBCHBC173.2°171.6°
CASCBACATCBC54.2°54.0°
CBACASCBBHAS1120.0°119.9°
CBACASCBBHAS2120.1°119.8°
CBACASCBBCAP46.2°47.6°
CBACASCBBNBE65.7°64.1°
CASCBACATHAT1174.2°173.8°
CASCBACATHAT265.6°65.8°
CBACASHAS1HAS2120.1°120.3°
CBACASCBBHBB170.5°171.6°
CATCBCNBECBB67.0°72.6°
CATCBCCAQCAP88.7°88.6°
CATCBCCAQNBE117.5°113.8°
CATCBCCAQHBC119.9°124.0°
CATCBCNBEHBC120.3°123.9°
CATCBCNBECAR175.4°169.0°
CBCCATCBAHBA175.2°174.0°
CBCCATHAT1HAT2119.8°120.3°
CATCBCCAQHAQ1151.3°152.6°
CATCBCCAQHAQ233.0°30.2°
CATCBCNBEHBE54.8°45.9°
CASCBBCAPNBE117.1°113.8°
CASCBBCAPHBB119.8°123.9°
CASCBBNBEHBB119.9°123.9°
CASCBBCAPCAQ88.2°88.5°
CASCBBNBECBC68.0°72.6°
CASCBBNBECAR179.8°169.0°
CBBCASCBAHBA174.4°174.1°
CBBCASHAS1HAS2120.2°120.3°
CASCBBCAPHAP1151.7°152.6°
CASCBBCAPHAP234.1°30.2°
CASCBBNBEHBE58.3°45.9°
CAPCBBNBEHBB123.8°121.9°
CBBCAPCAQHAP1120.0°118.9°
CBBCAPCAQHAP2122.3°118.8°
CBBCAPCAQCBC0.0°0.0°
CAPCBBNBECBC48.3°41.6°
CAPCBBNBECAR63.9°76.8°
CAPCBBCASHAS1166.2°167.5°
CAPCBBCASHAS273.9°72.1°
CBBCAPHAP1HAP2122.5°122.4°
CBBCAPCAQHAQ1120.1°118.8°
CBBCAPCAQHAQ2121.6°118.8°
CAPCBBNBEHBE174.6°160.1°
NBECBBCAPCAQ28.9°25.2°
CBBNBECBCCAQ48.1°41.6°
CBBNBECBCCAR117.6°118.4°
CBBNBECBCHBE121.8°118.5°
CBBNBECARHBE123.0°123.0°
CBBNBECARCAV40.9°175.0°
NBECBBCASHAS154.3°55.7°
NBECBBCASHAS2174.2°176.1°
CBBNBECBCHBC172.7°163.5°
NBECBBCAPHAP191.1°93.6°
NBECBBCAPHAP2151.2°144.0°
CBBNBECARHAR179.1°55.0°
CBBNBECARHAR2157.2°65.0°
CAPCAQCBCHAQ1120.0°118.8°
CAPCAQCBCHAQ2121.6°118.8°
CAPCAQCBCNBE28.8°25.2°
CAPCAQCBCHBC151.4°147.5°
CAQCAPCBBHBB152.0°147.5°
CAQCAPHAP1HAP2122.6°122.2°
CAPCAQHAQ1HAQ2121.7°122.3°
CAQCBCNBEHBC124.6°121.9°
CAQCBCNBECAR69.4°76.8°
CAQCBCCATHAT171.9°72.2°
CAQCBCCATHAT2167.9°167.5°
CBCCAQCAPHAP1120.0°118.9°
CBCCAQCAPHAP2122.3°118.8°
CBCCAQHAQ1HAQ2121.8°122.3°
CAQCBCNBEHBE170.0°160.1°
CBCNBECARHBE126.6°123.0°
CBCNBECARCAV151.3°71.0°
NBECBCCATHAT1176.7°176.1°
NBECBCCATHAT256.5°55.7°
CBCNBECBBHBB172.1°163.6°
NBECBCCAQHAQ191.2°93.6°
NBECBCCAQHAQ2150.5°144.0°
CBCNBECARHAR131.3°169.0°
CBCNBECARHAR292.4°49.0°
NBECARCAVHAR1120.0°120.0°
NBECARCAVHAR2116.3°120.0°
NBECARCAVCAH36.0°90.0°
NBECARCAVCAI146.8°90.3°
CARNBECBCHBC55.2°45.1°
CARNBECBBHBB59.9°45.1°
NBECARHAR1HAR2116.7°120.0°
CARCAVCAHCAI177.1°179.7°
CARCAVCAHCAB178.5°180.0°
CARCAVCAICAC178.0°179.8°
CAVCARHAR1HAR2116.7°120.0°
CARCAVCAHHAH1.5°0.0°
CARCAVCAIHAI2.0°0.0°
CAVCARNBEHBE82.1°52.0°
CAVCAHCABHAH180.0°180.0°
CAVCAHCABCAA0.9°0.0°
CAHCAVCAICAC0.8°0.5°
CAHCAVCARHAR1156.0°30.0°
CAHCAVCARHAR280.2°150.0°
CAHCAVCAIHAI179.2°179.8°
CAVCAHCABHAB179.1°180.0°
CAICAVCAHCAB1.4°0.3°
CAVCAICACCAA0.4°0.4°
CAVCAICACHAI180.0°179.7°
CAICAVCARHAR126.8°149.7°
CAICAVCARHAR296.9°29.7°
CAICAVCAHHAH178.5°179.7°
CAVCAICACHAC179.6°179.7°
CAHCABCAAHAB180.0°180.0°
CAHCABCAACAC0.2°0.1°
CAHCABCAAHAA179.8°180.0°
CABCAACACHAA180.0°179.9°
CABCAACACCAI0.9°0.1°
CAACABCAHHAH179.0°180.0°
CABCAACACHAC179.1°180.0°
CAACACCAIHAC180.0°179.9°
CAACACCAIHAI179.7°179.9°
CACCAACABHAB179.7°179.9°
CAICACCAAHAA179.1°179.8°
HALCALCAFHAF0.4°0.0°
HAFCAFCADHAD0.5°1.2°
HADCADCAJHAJ2.3°0.0°
HAN1CANCAOHAO181.7°61.6°
HAN1CANCAOHAO2158.3°178.8°
HAN2CANCAOHAO136.3°55.6°
HAN2CANCAOHAO283.7°61.6°
HAKCAKCAEHAE0.4°0.7°
HAECAECAGHAG1.0°1.7°
HAGCAGCAMHAM0.4°0.4°
HBACBACATHAT164.8°66.1°
HBACBACATHAT255.4°54.2°
HBACBACASHAS154.4°54.2°
HBACBACASHAS265.5°66.2°
HAT1CATCBCHBC53.2°51.8°
HAT2CATCBCHBC67.0°68.5°
HAS1CASCBBHBB69.5°68.5°
HAS2CASCBBHBB50.4°51.8°
HBCCBCCAQHAQ131.4°28.7°
HBCCBCCAQHAQ287.0°93.7°
HBCCBCNBEHBE65.5°78.0°
HBBCBBCAPHAP131.9°28.7°
HBBCBBCAPHAP285.7°93.7°
HBBCBBNBEHBE61.7°78.0°
HAP1CAPCAQHAQ10.1°0.0°
HAP1CAPCAQHAQ2118.4°122.3°
HAP2CAPCAQHAQ1117.6°122.3°
HAP2CAPCAQHAQ20.7°0.0°
HAR1CARNBEHBE157.9°68.0°
HAR2CARNBEHBE34.2°172.0°
HAHCAHCABHAB0.9°0.0°
HAICAICACHAC0.4°0.0°
HABCABCAAHAA0.3°0.0°
HAACAACACHAC0.9°0.1°

220472

PDB entries from 2024-05-29

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