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YVN

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OBHPBFdoub1.48Å1.61Å
PBFOBIsing1.61Å1.61Å
PBFOBEsing1.61Å1.62Å
PBFOBGsing1.61Å1.48Å
OBIHOBIsing0.97Å0.95Å
OBGHOBGsing0.97Å0.95Å
OBECBDsing1.36Å1.37Å
CBDCBJdoub1.39Å1.40ÅAromatic
CBDCBCsing1.39Å1.41ÅAromatic
CBCCBBdoub1.38Å1.41ÅAromatic
CBCHBCsing1.08Å1.08Å
CBBCBAsing1.38Å1.42ÅAromatic
CBBHBBsing1.08Å1.08Å
CBJCBKsing1.38Å1.41ÅAromatic
CBJHBJsing1.08Å1.08Å
CBKCBAdoub1.38Å1.41ÅAromatic
CBKHBKsing1.08Å1.08Å
CBACAZsing1.51Å1.55Å
CAZCAGsing1.53Å1.54Å
CAZCAFsing1.53Å1.55Å
CAZHAZsing1.09Å1.10Å
CAFCAGsing1.53Å1.52Å
CAFCACsing1.51Å1.54Å
CAFHAFsing1.09Å1.10Å
CACOADdoub1.21Å1.23Å
CACNABsing1.35Å1.33Å
NABCAAsing1.46Å1.32Å
NABHNABsing0.97Å1.00Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CAAHAA3sing1.09Å1.10Å
CAGCAHsing1.51Å1.53Å
CAGHAGsing1.09Å1.10Å
CAHNAJsing1.35Å1.34Å
CAHOAIdoub1.21Å1.23Å
NAJCAKsing1.46Å1.48Å
NAJHNAJsing0.97Å1.00Å
CAKCAWsing1.53Å1.55Å
CAKCALsing1.51Å1.55Å
CAKHAKsing1.09Å1.10Å
CAWCAYsing1.53Å1.53Å
CAWCAXsing1.53Å1.54Å
CAWHAWsing1.09Å1.10Å
CAXHAX1sing1.09Å1.10Å
CAXHAX2sing1.09Å1.10Å
CAXHAX3sing1.09Å1.10Å
CAYHAY1sing1.09Å1.10Å
CAYHAY2sing1.09Å1.10Å
CAYHAY3sing1.09Å1.10Å
CALNANsing1.35Å1.34Å
CALOAMdoub1.21Å1.23Å
NANCAOsing1.46Å1.48Å
NANHNANsing0.97Å1.00Å
CAOCAPsing1.53Å1.54Å
CAOCATsing1.51Å1.54Å
CAOHAOsing1.09Å1.10Å
CATNAUsing1.35Å1.33Å
CATOAVdoub1.21Å1.23Å
NAUHAU1sing0.97Å1.00Å
NAUHAU2sing0.97Å1.00Å
CAPCAQsing1.51Å1.54Å
CAPHAP1sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
CAQNARsing1.35Å1.33Å
CAQOASdoub1.21Å1.23Å
NARHAR1sing0.97Å1.00Å
NARHAR2sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OBHPBFOBI105.6°109.5°
OBHPBFOBE105.3°109.5°
OBHPBFOBG111.9°109.5°
OBIPBFOBE107.2°109.5°
OBIPBFOBG112.6°109.5°
PBFOBIHOBI109.5°114.0°
OBEPBFOBG113.6°109.5°
PBFOBECBD113.5°114.0°
PBFOBGHOBG109.5°114.0°
OBECBDCBJ118.8°120.0°
OBECBDCBC121.1°120.1°
CBJCBDCBC119.6°119.9°
CBDCBJCBK120.4°119.9°
CBDCBJHBJ119.8°120.1°
CBDCBCCBB120.0°120.0°
CBDCBCHBC120.0°120.0°
CBBCBCHBC120.0°120.0°
CBCCBBCBA120.1°120.0°
CBCCBBHBB119.9°120.0°
CBACBBHBB119.9°120.0°
CBBCBACBK119.4°120.1°
CBBCBACAZ120.5°119.9°
CBKCBJHBJ119.8°120.0°
CBJCBKCBA120.3°120.1°
CBJCBKHBK119.8°120.0°
CBACBKHBK119.8°119.9°
CBKCBACAZ119.9°120.0°
CBACAZCAG115.4°117.6°
CBACAZCAF118.5°117.6°
CBACAZHAZ93.6°115.5°
CAGCAZCAF58.9°60.0°
CAGCAZHAZ136.9°117.5°
CAZCAGCAF60.8°60.0°
CAZCAGCAH116.7°117.5°
CAZCAGHAG133.9°117.5°
CAFCAZHAZ134.3°117.5°
CAZCAFCAG60.3°60.0°
CAZCAFCAC118.6°117.5°
CAZCAFHAF133.7°117.5°
CAGCAFCAC115.8°117.5°
CAGCAFHAF136.1°117.5°
CAFCAGCAH114.8°117.5°
CAFCAGHAG135.6°117.5°
CACCAFHAF93.4°115.6°
CAFCACOAD121.3°120.0°
CAFCACNAB114.6°120.0°
OADCACNAB124.1°120.0°
CACNABCAA120.2°120.0°
CACNABHNAB119.9°120.0°
CAANABHNAB120.0°120.0°
NABCAAHAA1109.5°109.5°
NABCAAHAA2109.5°109.5°
NABCAAHAA3109.5°109.5°
HAA1CAAHAA2109.4°109.5°
HAA1CAAHAA3109.4°109.5°
HAA2CAAHAA3109.5°109.4°
CAHCAGHAG95.1°115.5°
CAGCAHNAJ114.4°120.0°
CAGCAHOAI121.2°120.0°
NAJCAHOAI124.3°120.0°
CAHNAJCAK124.0°120.0°
CAHNAJHNAJ118.0°120.0°
CAKNAJHNAJ118.0°120.0°
NAJCAKCAW109.3°109.4°
NAJCAKCAL112.4°109.5°
NAJCAKHAK108.0°109.4°
CAWCAKCAL110.6°109.5°
CAWCAKHAK109.9°109.5°
CAKCAWCAY110.5°109.5°
CAKCAWCAX111.5°109.5°
CAKCAWHAW107.4°109.4°
CALCAKHAK106.6°109.5°
CAKCALNAN116.3°120.0°
CAKCALOAM120.1°120.0°
CAYCAWCAX109.5°109.5°
CAYCAWHAW109.4°109.5°
CAWCAYHAY1109.5°109.5°
CAWCAYHAY2109.5°109.5°
CAWCAYHAY3109.5°109.4°
CAXCAWHAW108.5°109.5°
CAWCAXHAX1109.5°109.5°
CAWCAXHAX2109.5°109.5°
CAWCAXHAX3109.5°109.5°
HAX1CAXHAX2109.5°109.5°
HAX1CAXHAX3109.4°109.5°
HAX2CAXHAX3109.5°109.5°
HAY1CAYHAY2109.5°109.5°
HAY1CAYHAY3109.4°109.4°
HAY2CAYHAY3109.5°109.5°
NANCALOAM123.6°120.0°
CALNANCAO120.9°120.0°
CALNANHNAN119.5°120.0°
CAONANHNAN119.5°120.0°
NANCAOCAP110.1°109.5°
NANCAOCAT111.1°109.5°
NANCAOHAO108.4°109.5°
CAPCAOCAT110.9°109.4°
CAPCAOHAO108.6°109.4°
CAOCAPCAQ112.9°109.5°
CAOCAPHAP1108.3°109.5°
CAOCAPHAP2107.5°109.5°
CATCAOHAO107.6°109.5°
CAOCATNAU115.3°120.0°
CAOCATOAV120.8°120.0°
NAUCATOAV123.9°120.0°
CATNAUHAU1107.4°120.0°
CATNAUHAU2126.3°120.0°
HAU1NAUHAU2126.3°120.0°
CAQCAPHAP1108.3°109.4°
CAQCAPHAP2107.5°109.4°
CAPCAQNAR114.8°120.0°
CAPCAQOAS121.3°120.0°
HAP1CAPHAP2112.2°109.5°
NARCAQOAS123.9°120.0°
CAQNARHAR1107.2°120.1°
CAQNARHAR2126.4°120.0°
HAR1NARHAR2126.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OBHPBFOBIOBE111.9°120.0°
OBHPBFOBIOBG122.4°120.0°
OBHPBFOBEOBG122.8°120.0°
OBHPBFOBIHOBI177.3°59.9°
OBHPBFOBGHOBG40.1°179.9°
OBHPBFOBECBD156.7°55.0°
OBIPBFOBEOBG125.1°120.0°
OBIPBFOBGHOBG78.8°60.1°
OBIPBFOBECBD44.5°175.0°
OBEPBFOBIHOBI65.4°180.0°
OBEPBFOBGHOBG159.1°60.0°
PBFOBECBDCBJ114.8°90.0°
PBFOBECBDCBC72.8°89.7°
OBGPBFOBIHOBI60.3°60.0°
OBGPBFOBECBD80.5°65.0°
OBECBDCBJCBC172.5°179.7°
OBECBDCBCCBB171.7°180.0°
OBECBDCBCHBC8.2°0.1°
OBECBDCBJCBK172.1°180.0°
OBECBDCBJHBJ8.0°0.0°
CBJCBDCBCCBB0.6°0.4°
CBJCBDCBCHBC179.4°179.8°
CBDCBJCBKHBJ180.0°180.0°
CBDCBJCBKCBA0.2°0.0°
CBDCBJCBKHBK179.8°180.0°
CBDCBCCBBHBC180.0°179.9°
CBDCBCCBBCBA0.2°0.1°
CBDCBCCBBHBB179.8°180.0°
CBCCBDCBJCBK0.5°0.3°
CBCCBDCBJHBJ179.5°179.7°
CBCCBBCBAHBB180.0°179.9°
CBCCBBCBACBK0.5°0.2°
CBCCBBCBACAZ175.2°180.0°
HBCCBCCBBCBA179.9°180.0°
HBCCBCCBBHBB0.1°0.1°
CBBCBACBKCBJ0.6°0.3°
CBBCBACBKCAZ175.7°179.8°
CBBCBACBKHBK179.4°179.7°
CBBCBACAZCAG139.3°32.5°
CBBCBACAZCAF72.5°101.2°
CBBCBACAZHAZ73.6°113.1°
HBBCBBCBACBK179.5°179.7°
HBBCBBCBACAZ4.8°0.1°
CBJCBKCBAHBK180.0°180.0°
CBJCBKCBACAZ175.1°179.9°
HBJCBJCBKCBA179.9°180.0°
HBJCBJCBKHBK0.1°0.0°
CBKCBACAZCAG45.0°147.7°
CBKCBACAZCAF111.9°79.0°
CBKCBACAZHAZ102.0°66.6°
HBKCBKCBACAZ4.9°0.0°
CBACAZCAGCAF109.3°107.5°
CBACAZCAGHAZ127.5°145.0°
CBACAZCAFHAZ128.9°145.0°
CBACAZCAFCAC1.0°0.1°
CBACAZCAFHAF128.8°145.0°
CBACAZCAGCAH145.9°145.0°
CBACAZCAGHAG17.5°0.0°
CAGCAZCAFHAZ127.0°107.5°
CAZCAGCAFCAH108.0°107.5°
CAZCAGCAFHAG124.4°107.5°
CAGCAZCAFCAC105.0°107.5°
CAGCAZCAFHAF127.1°107.5°
CAZCAGCAHHAG145.5°145.7°
CAZCAGCAHNAJ142.6°180.0°
CAZCAGCAHOAI37.0°0.0°
CAZCAFCACHAF145.2°145.7°
CAZCAFCACOAD59.5°8.5°
CAZCAFCACNAB122.6°171.4°
HAZCAZCAFCAC128.0°145.1°
HAZCAZCAFHAF0.1°0.0°
HAZCAZCAGCAH18.4°0.0°
HAZCAZCAGHAG110.0°145.0°
CAGCAFCACHAF146.1°145.7°
CAGCAFCACOAD9.3°60.1°
CAGCAFCACNAB168.7°120.0°
CAFCAGCAHHAG146.1°145.7°
CAFCAGCAHNAJ149.0°111.4°
CAFCAGCAHOAI31.3°68.7°
CAFCACOADNAB177.7°179.9°
CAFCACNABCAA120.1°180.0°
CAFCACNABHNAB59.9°0.1°
CACCAFCAGCAH142.3°145.0°
CACCAFCAGHAG14.8°0.0°
HAFCAFCACOAD155.4°154.3°
HAFCAFCACNAB22.5°25.7°
HAFCAFCAGCAH15.7°0.0°
HAFCAFCAGHAG111.8°145.0°
OADCACNABCAA57.7°0.1°
OADCACNABHNAB122.3°180.0°
CACNABCAAHNAB180.0°179.9°
CACNABCAAHAA1133.9°59.9°
CACNABCAAHAA2106.1°180.0°
CACNABCAAHAA313.9°60.1°
NABCAAHAA1HAA2120.0°120.0°
NABCAAHAA1HAA3120.0°120.0°
NABCAAHAA2HAA3120.0°120.0°
HNABNABCAAHAA146.1°120.0°
HNABNABCAAHAA273.9°0.1°
HNABNABCAAHAA3166.1°120.0°
HAA1CAAHAA2HAA3120.0°120.0°
CAGCAHNAJOAI179.7°179.9°
CAGCAHNAJCAK178.7°180.0°
CAGCAHNAJHNAJ1.3°0.0°
HAGCAGCAHNAJ2.9°34.3°
HAGCAGCAHOAI177.4°145.6°
CAHNAJCAKHNAJ180.0°180.0°
CAHNAJCAKCAW173.5°85.0°
CAHNAJCAKCAL50.3°155.0°
CAHNAJCAKHAK67.0°35.0°
OAICAHNAJCAK1.6°0.0°
OAICAHNAJHNAJ178.4°180.0°
NAJCAKCAWCAL124.3°120.0°
NAJCAKCAWHAK118.3°119.9°
NAJCAKCALHAK118.1°120.0°
NAJCAKCAWCAY56.3°53.9°
NAJCAKCAWCAX178.3°66.1°
NAJCAKCAWHAW63.0°173.9°
NAJCAKCALNAN42.9°170.3°
NAJCAKCALOAM137.2°9.7°
HNAJNAJCAKCAW6.5°95.0°
HNAJNAJCAKCAL129.7°25.0°
HNAJNAJCAKHAK113.0°145.0°
CAWCAKCALHAK119.4°120.1°
CAKCAWCAYCAX123.2°120.1°
CAKCAWCAYHAW118.0°119.9°
CAKCAWCAXHAW118.0°119.9°
CAKCAWCAXHAX113.4°65.4°
CAKCAWCAXHAX2133.4°174.6°
CAKCAWCAXHAX3106.6°54.6°
CAKCAWCAYHAY166.4°59.9°
CAKCAWCAYHAY253.7°180.0°
CAKCAWCAYHAY3173.7°60.0°
CAWCAKCALNAN79.5°69.8°
CAWCAKCALOAM100.3°110.3°
CALCAKCAWCAY179.5°66.1°
CALCAKCAWCAX57.4°173.9°
CALCAKCAWHAW61.3°53.9°
CAKCALNANOAM179.8°180.0°
CAKCALNANCAO179.3°175.5°
CAKCALNANHNAN0.7°4.5°
HAKCAKCAWCAY62.1°173.8°
HAKCAKCAWCAX60.0°53.8°
HAKCAKCAWHAW178.6°66.2°
HAKCAKCALNAN161.1°50.3°
HAKCAKCALOAM19.1°129.7°
CAYCAWCAXHAW119.4°120.0°
CAYCAWCAXHAX1109.2°54.6°
CAYCAWCAXHAX210.8°65.4°
CAYCAWCAXHAX3130.8°174.7°
CAWCAYHAY1HAY2120.0°120.1°
CAWCAYHAY1HAY3120.0°119.9°
CAWCAYHAY2HAY3120.0°120.0°
CAWCAXHAX1HAX2120.0°120.0°
CAWCAXHAX1HAX3120.0°120.0°
CAWCAXHAX2HAX3120.0°120.0°
CAXCAWCAYHAY156.8°180.0°
CAXCAWCAYHAY2176.9°60.0°
CAXCAWCAYHAY363.1°60.0°
HAWCAWCAXHAX1131.4°174.6°
HAWCAWCAXHAX2108.6°54.7°
HAWCAWCAXHAX311.4°65.3°
HAWCAWCAYHAY1175.6°60.0°
HAWCAWCAYHAY264.4°60.1°
HAWCAWCAYHAY355.6°180.0°
HAX1CAXHAX2HAX3120.0°120.0°
HAY1CAYHAY2HAY3120.0°120.0°
CALNANCAOHNAN180.0°180.0°
CALNANCAOCAP132.9°155.0°
CALNANCAOCAT103.9°85.0°
CALNANCAOHAO14.2°35.1°
OAMCALNANCAO0.5°4.5°
OAMCALNANHNAN179.5°175.5°
NANCAOCAPCAT123.4°120.0°
NANCAOCAPHAO118.6°120.0°
NANCAOCATHAO118.5°120.1°
NANCAOCATNAU15.4°180.0°
NANCAOCATOAV164.5°0.0°
NANCAOCAPCAQ61.2°65.0°
NANCAOCAPHAP1178.8°54.9°
NANCAOCAPHAP257.2°175.0°
HNANNANCAOCAP47.1°25.0°
HNANNANCAOCAT76.1°95.0°
HNANNANCAOHAO165.8°144.9°
CAPCAOCATHAO118.7°120.0°
CAPCAOCATNAU138.3°60.0°
CAPCAOCATOAV41.7°120.0°
CAOCAPCAQHAP1120.0°120.0°
CAOCAPCAQHAP2118.5°120.0°
CAOCAPHAP1HAP2118.6°120.1°
CAOCAPCAQNAR159.7°180.0°
CAOCAPCAQOAS20.0°0.0°
CAOCATNAUOAV180.0°180.0°
CAOCATNAUHAU1180.0°0.0°
CAOCATNAUHAU20.0°180.0°
CATCAOCAPCAQ62.1°175.0°
CATCAOCAPHAP157.9°65.1°
CATCAOCAPHAP2179.4°55.1°
HAOCAOCATNAU103.1°60.0°
HAOCAOCATOAV76.9°120.1°
HAOCAOCAPCAQ179.8°55.0°
HAOCAOCAPHAP160.2°174.9°
HAOCAOCAPHAP261.3°65.0°
CATNAUHAU1HAU2179.9°179.9°
OAVCATNAUHAU10.0°179.9°
OAVCATNAUHAU2179.9°0.0°
CAQCAPHAP1HAP2118.6°120.0°
CAPCAQNAROAS179.6°180.0°
CAPCAQNARHAR1180.0°0.1°
CAPCAQNARHAR20.0°180.0°
HAP1CAPCAQNAR39.7°60.0°
HAP1CAPCAQOAS140.0°120.0°
HAP2CAPCAQNAR81.9°60.1°
HAP2CAPCAQOAS98.5°120.0°
CAQNARHAR1HAR2180.0°179.9°
OASCAQNARHAR10.4°180.0°
OASCAQNARHAR2179.6°0.1°

222926

PDB entries from 2024-07-24

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