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9A5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAPCAQsing1.53Å1.50Å
CAPCATsing1.53Å1.52Å
CAQCAUsing1.53Å1.55Å
CATCBDsing1.51Å1.46Å
CAUCBEsing1.51Å1.41Å
CBDCBEdoub1.38Å1.39ÅAromatic
CBDNAWsing1.32Å1.34ÅAromatic
CBECBFsing1.39Å1.39ÅAromatic
NAWCBGdoub1.33Å1.34ÅAromatic
CBFNAYsing1.39Å1.35Å
CBFCBJdoub1.41Å1.38ÅAromatic
CBGCBJsing1.42Å1.37ÅAromatic
CBGCAKsing1.41Å1.38ÅAromatic
NAYCASsing1.47Å1.47Å
CASCAOsing1.53Å1.54Å
CBJCAIsing1.40Å1.39ÅAromatic
CAKCBBdoub1.36Å1.39ÅAromatic
CAICAFdoub1.36Å1.39ÅAromatic
CAOCAMsing1.53Å1.54Å
CAMCALsing1.53Å1.57Å
CBBCAFsing1.39Å1.37ÅAromatic
CBBCLsing1.74Å1.63Å
CANCALsing1.53Å1.56Å
CANCARsing1.53Å1.53Å
CARNAXsing1.46Å1.47Å
NAXCsing1.35Å1.36Å
NCAsing1.47Å1.48Å
COdoub1.21Å1.24Å
CCAsing1.51Å1.56Å
CACBsing1.53Å1.54Å
CBCGsing1.51Å1.59Å
CGCD1doub1.34Å1.34ÅAromatic
CGCD2sing1.46Å1.37ÅAromatic
CD1NE1sing1.37Å1.34ÅAromatic
CE3CD2doub1.40Å1.37ÅAromatic
CE3CZ3sing1.37Å1.42ÅAromatic
CD2CE2sing1.41Å1.36ÅAromatic
NE1CE2sing1.38Å1.34ÅAromatic
CE2CZ2doub1.39Å1.36ÅAromatic
CZ3CH2doub1.39Å1.40ÅAromatic
CZ2CH2sing1.38Å1.41ÅAromatic
CATH1sing1.09Å1.10Å
CATH2sing1.09Å1.10Å
CAPH3sing1.09Å1.10Å
CAPH4sing1.09Å1.10Å
CAQH5sing1.09Å1.10Å
CAQH6sing1.09Å1.10Å
CAUH7sing1.09Å1.10Å
CAUH8sing1.09Å1.10Å
CAKH9sing1.08Å1.08Å
CAFH10sing1.08Å1.08Å
CAIH11sing1.08Å1.08Å
NAYH12sing1.01Å1.00Å
CASH13sing1.09Å1.10Å
CASH14sing1.09Å1.10Å
CAOH15sing1.09Å1.10Å
CAOH16sing1.09Å1.10Å
CAMH17sing1.09Å1.10Å
CAMH18sing1.09Å1.10Å
CALH19sing1.09Å1.10Å
CALH20sing1.09Å1.10Å
CANH21sing1.09Å1.10Å
CANH22sing1.09Å1.10Å
CARH23sing1.09Å1.10Å
CARH24sing1.09Å1.10Å
NAXH25sing0.97Å1.00Å
CAH26sing1.09Å1.10Å
NH27sing1.01Å1.00Å
NH28sing1.01Å1.00Å
CBH30sing1.09Å1.10Å
CBH31sing1.09Å1.10Å
CE3H32sing1.08Å1.08Å
CZ3H33sing1.08Å1.08Å
CH2H34sing1.08Å1.08Å
CZ2H35sing1.08Å1.08Å
NE1H36sing0.97Å1.00Å
CD1H37sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAQCAPCAT113.0°108.4°
CAPCAQCAU107.9°108.3°
CAQCAPH3108.6°109.7°
CAQCAPH4108.6°109.7°
CAPCAQH5109.9°109.7°
CAPCAQH6109.8°109.7°
CAPCATCBD110.3°110.6°
CAPCATH1109.2°109.2°
CAPCATH2109.3°109.2°
CATCAPH3108.6°109.7°
CATCAPH4108.6°109.6°
CAQCAUCBE112.9°110.6°
CAUCAQH5109.9°109.7°
CAUCAQH6109.9°109.7°
CAQCAUH7108.6°109.3°
CAQCAUH8108.6°109.2°
CATCBDCBE124.7°122.1°
CATCBDNAW116.9°117.0°
CBDCATH1109.3°109.3°
CBDCATH2109.3°109.3°
CAUCBECBD122.0°122.8°
CAUCBECBF119.3°117.5°
CBECAUH7108.6°109.3°
CBECAUH8108.6°109.3°
CBECBDNAW118.4°120.9°
CBDCBECBF118.6°119.7°
CBDNAWCBG123.0°122.6°
CBECBFNAY119.8°120.8°
CBECBFCBJ121.3°118.5°
NAWCBGCBJ121.1°119.7°
NAWCBGCAK119.3°121.2°
NAYCBFCBJ118.9°120.8°
CBFNAYCAS121.7°111.0°
CBFNAYH12106.3°111.0°
CBFCBJCBG117.6°118.6°
CBFCBJCAI122.6°121.7°
CBJCBGCAK119.6°119.1°
CBGCBJCAI119.8°119.7°
CBGCAKCBB120.6°119.7°
CBGCAKH9119.7°120.1°
NAYCASCAO108.6°109.4°
CASNAYH12106.4°111.0°
NAYCASH13109.7°109.5°
NAYCASH14109.7°109.4°
CASCAOCAM104.9°109.4°
CAOCASH13109.7°109.5°
CAOCASH14109.7°109.5°
CASCAOH15110.6°109.5°
CASCAOH16110.6°109.5°
CBJCAICAF121.0°119.7°
CBJCAIH11119.5°120.2°
CAKCBBCAF120.5°121.1°
CAKCBBCL119.0°119.5°
CBBCAKH9119.7°120.1°
CAICAFCBB118.4°120.7°
CAICAFH10120.8°119.6°
CAFCAIH11119.5°120.2°
CAOCAMCAL113.0°109.5°
CAMCAOH15110.6°109.4°
CAMCAOH16110.6°109.5°
CAOCAMH17108.6°109.5°
CAOCAMH18108.6°109.5°
CAMCALCAN108.1°109.5°
CALCAMH17108.6°109.5°
CALCAMH18108.6°109.5°
CAMCALH19109.8°109.5°
CAMCALH20109.8°109.5°
CAFCBBCL120.5°119.5°
CBBCAFH10120.8°119.6°
CALCANCAR115.7°109.5°
CANCALH19109.8°109.4°
CANCALH20109.8°109.5°
CALCANH21107.9°109.5°
CALCANH22107.9°109.5°
CANCARNAX108.9°109.5°
CARCANH21107.9°109.5°
CARCANH22107.9°109.4°
CANCARH23109.6°109.5°
CANCARH24109.6°109.4°
CARNAXC123.0°120.0°
NAXCARH23109.6°109.5°
NAXCARH24109.6°109.5°
CARNAXH25118.5°120.0°
NAXCO123.8°120.0°
NAXCCA112.5°120.0°
CNAXH25118.5°120.0°
NCAC106.5°109.5°
NCACB114.3°109.5°
NCAH26107.9°109.5°
CANH27109.5°111.0°
CANH28109.5°111.0°
OCCA123.7°119.9°
CCACB113.5°109.5°
CCAH26107.0°109.4°
CACBCG113.4°109.5°
CBCAH26107.3°109.5°
CACBH30108.5°109.5°
CACBH31108.5°109.5°
CBCGCD1121.1°126.5°
CBCGCD2130.9°126.5°
CGCBH30108.5°109.5°
CGCBH31108.5°109.5°
CD1CGCD2107.9°107.0°
CGCD1NE1108.1°110.0°
CGCD1H37125.9°125.0°
CGCD2CE3134.4°134.1°
CGCD2CE2107.3°106.0°
CD1NE1CE2109.5°109.8°
CD1NE1H36125.2°125.1°
NE1CD1H37125.9°125.0°
CD2CE3CZ3121.8°119.8°
CE3CD2CE2118.3°119.9°
CD2CE3H32119.1°120.1°
CE3CZ3CH2119.4°120.5°
CZ3CE3H32119.1°120.1°
CE3CZ3H33120.3°119.7°
CD2CE2NE1107.1°107.2°
CD2CE2CZ2122.1°119.3°
NE1CE2CZ2130.8°133.5°
CE2NE1H36125.3°125.0°
CE2CZ2CH2121.4°119.8°
CE2CZ2H35119.3°120.1°
CZ3CH2CZ2117.1°120.7°
CH2CZ3H33120.3°119.8°
CZ3CH2H34121.4°119.7°
CZ2CH2H34121.5°119.7°
CH2CZ2H35119.3°120.1°
H1CATH2109.5°109.3°
H3CAPH4109.4°109.7°
H5CAQH6109.5°109.7°
H7CAUH8109.5°109.2°
H13CASH14109.4°109.5°
H15CAOH16109.5°109.5°
H17CAMH18109.5°109.4°
H19CALH20109.5°109.4°
H21CANH22109.5°109.4°
H23CARH24109.5°109.5°
H27NH28109.5°111.0°
H30CBH31109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAQCAPCATH3120.5°119.8°
CAQCAPCATH4120.5°119.7°
CAPCAQCAUH5119.8°119.7°
CAPCAQCAUH6119.7°119.7°
CAQCAPCATCBD42.3°51.5°
CAPCAQCAUCBE49.0°50.9°
CAQCAPCATH1162.5°171.8°
CAQCAPCATH277.8°68.8°
CAQCAPH3H4118.4°120.5°
CAPCAQH5H6120.7°120.6°
CAPCAQCAUH7169.5°171.2°
CAPCAQCAUH871.5°69.4°
CATCAPCAQCAU62.5°70.1°
CAPCATCBDH1120.1°120.3°
CAPCATCBDH2120.1°120.2°
CAPCATCBDCBE9.3°17.8°
CAPCATCBDNAW169.8°162.3°
CAPCATH1H2119.6°119.4°
CATCAPH3H4118.4°120.5°
CATCAPCAQH557.2°49.6°
CATCAPCAQH6177.7°170.2°
CAQCAUCBEH7120.5°120.3°
CAQCAUCBEH8120.5°120.3°
CAQCAUCBECBD18.4°17.4°
CAQCAUCBECBF158.5°162.6°
CAUCAQCAPH358.0°170.1°
CAUCAQCAPH4177.0°49.6°
CAUCAQH5H6120.7°120.5°
CAQCAUH7H8118.4°119.4°
CATCBDCBECAU2.2°0.4°
CATCBDCBENAW179.1°179.9°
CATCBDCBECBF179.1°179.6°
CATCBDNAWCBG179.9°179.7°
CBDCATH1H2119.7°119.5°
CBDCATCAPH378.2°171.2°
CBDCATCAPH4162.9°68.3°
CAUCBECBDCBF176.9°180.0°
CAUCBECBDNAW178.7°179.7°
CAUCBECBFNAY1.5°0.2°
CAUCBECBFCBJ177.8°179.8°
CBECAUCAQH570.8°68.8°
CBECAUCAQH6168.7°170.7°
CBECAUH7H8118.4°119.5°
CBECBDNAWCBG1.0°0.2°
CBDCBECBFNAY178.5°179.8°
CBDCBECBFCBJ0.9°0.2°
CBECBDCATH1129.4°138.1°
CBECBDCATH2110.8°102.4°
CBDCBECAUH7138.9°137.7°
CBDCBECAUH8102.1°102.9°
NAWCBDCBECBF1.8°0.3°
CBDNAWCBGCBJ0.9°0.0°
CBDNAWCBGCAK179.3°179.9°
NAWCBDCATH149.7°42.0°
NAWCBDCATH270.0°77.5°
CBECBFNAYCBJ179.4°180.0°
CBECBFCBJCBG0.9°0.1°
CBECBFNAYCAS79.8°95.6°
CBECBFCBJCAI179.5°180.0°
CBFCBECAUH737.9°42.3°
CBFCBECAUH881.0°77.1°
CBECBFNAYH12158.5°140.5°
NAWCBGCBJCBF1.8°0.2°
NAWCBGCBJCAK178.4°179.9°
NAWCBGCBJCAI178.6°180.0°
NAWCBGCAKCBB179.7°179.9°
NAWCBGCAKH90.3°0.1°
NAYCBFCBJCBG179.7°179.9°
CBFNAYCASH12121.7°123.9°
CBFNAYCASCAO124.8°174.8°
NAYCBFCBJCAI0.1°0.0°
CBFNAYCASH13115.3°54.8°
CBFNAYCASH144.9°65.2°
CBFCBJCBGCAI179.6°179.9°
CBFCBJCBGCAK179.8°179.9°
CBJCBFNAYCAS100.8°84.4°
CBFCBJCAICAF179.1°180.0°
CBFCBJCAIH110.9°0.1°
CBJCBFNAYH1220.9°39.5°
CBJCBGCAKCBB1.2°0.0°
CBGCBJCAICAF0.5°0.1°
CBJCBGCAKH9178.8°180.0°
CBGCBJCAIH11179.5°180.0°
CAKCBGCBJCAI0.2°0.0°
CBGCAKCBBH9180.0°180.0°
CBGCAKCBBCAF1.6°0.0°
CBGCAKCBBCL180.0°180.0°
NAYCASCAOH13119.9°120.0°
NAYCASCAOH14119.9°120.0°
NAYCASCAOCAM174.5°180.0°
NAYCASH13H14120.4°120.0°
NAYCASCAOH1566.3°60.1°
NAYCASCAOH1655.2°60.0°
CASCAOCAMH15119.3°120.0°
CASCAOCAMH16119.3°120.0°
CASCAOCAMCAL138.3°180.0°
CAOCASNAYH123.1°61.3°
CAOCASH13H14120.4°120.1°
CASCAOH15H16122.1°120.0°
CASCAOCAMH17101.2°60.0°
CASCAOCAMH1817.8°60.0°
CBJCAICAFH11180.0°180.0°
CBJCAICAFCBB0.1°0.1°
CBJCAICAFH10179.9°180.0°
CAKCBBCAFCAI0.9°0.0°
CAKCBBCAFCL178.4°180.0°
CAKCBBCAFH10179.1°179.9°
CAICAFCBBH10180.0°179.9°
CAICAFCBBCL179.3°180.0°
CAOCAMCALH17120.5°120.0°
CAOCAMCALH18120.5°120.0°
CAOCAMCALCAN120.0°180.0°
CAMCAOCASH1354.6°60.0°
CAMCAOCASH1465.7°60.0°
CAMCAOH15H16122.1°120.1°
CAOCAMH17H18118.4°120.0°
CAOCAMCALH190.2°60.0°
CAOCAMCALH20120.2°60.0°
CAMCALCANH19119.8°120.0°
CAMCALCANH20119.8°120.1°
CAMCALCANCAR174.3°180.0°
CALCAMCAOH1519.0°60.1°
CALCAMCAOH16102.4°60.0°
CALCAMH17H18118.4°120.0°
CAMCALH19H20120.6°120.0°
CAMCALCANH2164.8°60.0°
CAMCALCANH2253.4°60.0°
CAFCBBCAKH9178.4°180.0°
CBBCAFCAIH11179.9°180.0°
CLCBBCAKH90.0°0.0°
CLCBBCAFH100.7°0.1°
CALCANCARH21120.9°120.0°
CALCANCARH22120.9°120.1°
CALCANCARNAX73.7°179.9°
CANCALCAMH17119.5°60.0°
CANCALCAMH180.6°60.0°
CANCALH19H20120.7°120.0°
CALCANH21H22117.2°120.0°
CALCANCARH23166.4°60.0°
CALCANCARH2446.2°60.0°
CANCARNAXH23119.9°120.0°
CANCARNAXH24119.9°119.9°
CANCARNAXC163.7°180.0°
CARCANCALH1954.6°60.0°
CARCANCALH2065.9°60.0°
CARCANH21H22117.2°119.9°
CANCARH23H24120.3°119.9°
CANCARNAXH2516.3°0.0°
CARNAXCH25180.0°179.9°
CARNAXCO1.2°0.1°
CARNAXCCA178.5°180.0°
NAXCARCANH2147.2°59.9°
NAXCARCANH22165.4°60.0°
NAXCARH23H24120.3°120.0°
NAXCCAN42.5°160.0°
NAXCOCA179.7°179.9°
NAXCCACB169.2°79.9°
CNAXCARH2343.8°59.9°
CNAXCARH2476.4°60.1°
NAXCCAH2672.7°40.0°
NCACO137.2°20.1°
NCACCB126.6°120.1°
NCACH26115.3°120.0°
NCACBH26119.6°120.0°
NCACBCG37.4°65.0°
CANH27H28120.0°123.9°
NCACBH3083.2°55.0°
NCACBH31158.0°175.0°
OCCACB10.6°100.0°
OCNAXH25178.8°180.0°
OCCAH26107.5°140.1°
CCACBH26117.9°119.9°
CCACBCG159.9°175.0°
CACNAXH251.5°0.1°
CCANH27180.0°60.0°
CCANH2860.0°176.0°
CCACBH3039.3°65.0°
CCACBH3179.6°54.9°
CACBCGH30120.6°120.0°
CACBCGH31120.6°120.0°
CACBCGCD1142.1°95.0°
CACBCGCD240.3°85.3°
CBCANH2753.8°60.0°
CBCANH28173.8°63.9°
CACBH30H31118.2°120.0°
CBCGCD1CD2178.1°179.8°
CBCGCD1NE1178.5°179.9°
CBCGCD2CE32.5°0.0°
CBCGCD2CE2178.7°180.0°
CGCBCAH2682.2°55.1°
CGCBH30H31118.2°120.0°
CBCGCD1H371.5°0.0°
CGCD1NE1H37180.0°179.9°
CD1CGCD2CE3179.7°179.8°
CD1CGCD2CE20.9°0.2°
CGCD1NE1CE20.1°0.4°
CD1CGCBH3021.5°145.0°
CD1CGCBH3197.3°25.0°
CGCD1NE1H36179.8°179.8°
CD2CGCD1NE10.5°0.4°
CGCD2CE3CE2178.8°180.0°
CGCD2CE3CZ3179.1°180.0°
CGCD2CE2NE10.9°0.0°
CGCD2CE2CZ2179.0°180.0°
CD2CGCBH30160.9°34.7°
CD2CGCBH3180.2°154.7°
CGCD2CE3H320.9°0.0°
CD2CGCD1H37179.6°179.8°
CD1NE1CE2CD20.7°0.2°
CD1NE1CE2H36180.0°179.8°
CD1NE1CE2CZ2179.3°179.8°
CD2CE3CZ3H32180.0°180.0°
CE3CD2CE2NE1180.0°180.0°
CE3CD2CE2CZ20.0°0.0°
CD2CE3CZ3CH20.7°0.0°
CD2CE3CZ3H33179.3°180.0°
CZ3CE3CD2CE20.3°0.0°
CE3CZ3CH2H33180.0°180.0°
CE3CZ3CH2CZ20.6°0.0°
CE3CZ3CH2H34179.4°180.0°
CD2CE2NE1CZ2180.0°180.0°
CD2CE2CZ2CH20.1°0.0°
CE2CD2CE3H32179.7°180.0°
CD2CE2CZ2H35179.9°180.0°
CD2CE2NE1H36179.3°180.0°
NE1CE2CZ2CH2180.0°180.0°
NE1CE2CZ2H350.1°0.0°
CE2NE1CD1H37179.9°179.8°
CE2CZ2CH2CZ30.3°0.0°
CE2CZ2CH2H35180.0°180.0°
CE2CZ2CH2H34179.7°180.0°
CZ2CE2NE1H360.7°0.0°
CZ3CH2CZ2H34180.0°180.0°
CH2CZ3CE3H32179.3°180.0°
CZ3CH2CZ2H35179.7°180.0°
CZ2CH2CZ3H33179.4°180.0°
H1CATCAPH341.9°68.5°
H1CATCAPH477.0°52.0°
H2CATCAPH3161.7°51.0°
H2CATCAPH442.7°171.5°
H3CAPCAQH5177.8°70.2°
H3CAPCAQH661.7°50.4°
H4CAPCAQH563.3°169.3°
H4CAPCAQH657.2°70.1°
H5CAQCAUH749.7°51.5°
H5CAQCAUH8168.7°171.0°
H6CAQCAUH770.8°69.0°
H6CAQCAUH848.2°50.4°
H10CAFCAIH110.1°0.0°
H12NAYCASH13123.0°178.7°
H12NAYCASH14116.8°58.7°
H13CASCAOH15173.9°180.0°
H13CASCAOH1664.7°60.0°
H14CASCAOH1553.6°59.9°
H14CASCAOH16175.1°180.0°
H15CAOCAMH17139.5°179.9°
H15CAOCAMH18101.5°60.0°
H16CAOCAMH1718.1°60.0°
H16CAOCAMH18137.0°179.9°
H17CAMCALH19120.7°180.0°
H17CAMCALH200.3°60.0°
H18CAMCALH19120.3°60.0°
H18CAMCALH20119.3°180.0°
H19CALCANH21175.5°180.0°
H19CALCANH2266.3°60.0°
H20CALCANH2155.0°60.1°
H20CALCANH22173.2°180.0°
H21CANCARH2372.7°180.0°
H21CANCARH24167.2°60.1°
H22CANCARH2345.5°60.1°
H22CANCARH2474.7°179.9°
H23CARNAXH25136.2°120.0°
H24CARNAXH25103.6°120.0°
H26CANH2765.4°180.0°
H26CANH2854.6°56.1°
H26CACBH30157.2°175.0°
H26CACBH3138.4°65.0°
H32CE3CZ3H330.7°0.0°
H33CZ3CH2H340.6°0.0°
H34CH2CZ2H350.3°0.0°
H36NE1CD1H370.2°0.1°

219869

PDB entries from 2024-05-15

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