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YY9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAIOAHsing1.43Å1.45Å
OAHCAEsing1.36Å1.36Å
CLLCADsing1.74Å1.69Å
CAECADdoub1.39Å1.37ÅAromatic
CAECAFsing1.39Å1.37ÅAromatic
CADCACsing1.39Å1.39ÅAromatic
CAFCAAdoub1.39Å1.41ÅAromatic
CBFCBGsing1.53Å1.53Å
CBFCBEsing1.53Å1.52Å
CBGNBHsing1.47Å1.51Å
CBMCBNdoub1.33Å1.55Å
CBMCBKsing1.47Å1.55Å
CACNAMsing1.40Å1.48Å
CACCABdoub1.39Å1.42ÅAromatic
NAMCARsing1.35Å1.35Å
NAMCANsing1.47Å1.50Å
CAACABsing1.39Å1.40ÅAromatic
CAAOAGsing1.36Å1.36Å
OAWCARdoub1.22Å1.22Å
CARNAQsing1.34Å1.37Å
CAJOAGsing1.43Å1.43Å
CABCLKsing1.74Å1.77Å
NBHCBKsing1.35Å1.38Å
NBHCBIsing1.47Å1.50Å
CANC5sing1.51Å1.47Å
CBENAQsing1.46Å1.51Å
CBECBJsing1.53Å1.52Å
CBKOBLdoub1.22Å1.24Å
NAQC4sing1.38Å1.49Å
C5C4doub1.40Å1.37ÅAromatic
C5C6sing1.37Å1.38ÅAromatic
C4N3sing1.33Å1.34ÅAromatic
CAZCBAdoub1.38Å1.40ÅAromatic
CAZCAYsing1.39Å1.40ÅAromatic
C6N1doub1.33Å1.39ÅAromatic
CBACBBsing1.38Å1.39ÅAromatic
N3C2doub1.33Å1.35ÅAromatic
N1C2sing1.32Å1.34ÅAromatic
C2NAXsing1.39Å1.47Å
CBJCBIsing1.53Å1.50Å
NAXCAYsing1.40Å1.49Å
CAYCBDdoub1.39Å1.39ÅAromatic
CBBCBCdoub1.38Å1.38ÅAromatic
CBDCBCsing1.38Å1.38ÅAromatic
CAIH1sing1.09Å1.10Å
CAIH2sing1.09Å1.10Å
CAIH3sing1.09Å1.10Å
CAFH4sing1.08Å1.08Å
CAJH5sing1.09Å1.10Å
CAJH6sing1.09Å1.10Å
CAJH7sing1.09Å1.10Å
CANH8sing1.09Å1.10Å
CANH9sing1.09Å1.10Å
C6H10sing1.08Å1.08Å
NAXH11sing0.97Å1.00Å
CAZH12sing1.08Å1.08Å
CBAH13sing1.08Å1.08Å
CBBH14sing1.08Å1.08Å
CBCH15sing1.08Å1.08Å
CBDH16sing1.08Å1.08Å
CBEH17sing1.09Å1.10Å
CBJH18sing1.09Å1.10Å
CBJH19sing1.09Å1.10Å
CBIH20sing1.09Å1.10Å
CBIH21sing1.09Å1.10Å
CBFH22sing1.09Å1.10Å
CBFH23sing1.09Å1.10Å
CBGH24sing1.09Å1.10Å
CBGH25sing1.09Å1.10Å
CBMH26sing1.08Å1.08Å
CBNH28sing1.08Å1.08Å
CBNC1sing1.51Å65.17Å
C1N2sing1.47Å0.00Å
N2C7sing1.47Å0.00Å
N2C8sing1.47Å0.00Å
C1H27sing1.09Å0.00Å
C1H29sing1.09Å0.00Å
C7H30sing1.09Å0.00Å
C7H31sing1.09Å0.00Å
C7H32sing1.09Å0.00Å
C8H33sing1.09Å0.00Å
C8H34sing1.09Å0.00Å
C8H35sing1.09Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAIOAHCAE117.4°117.0°
OAHCAIH1109.5°109.5°
OAHCAIH2109.4°109.5°
OAHCAIH3109.5°109.5°
OAHCAECAD115.1°120.0°
OAHCAECAF125.5°120.0°
CLLCADCAE120.4°120.0°
CLLCADCAC117.0°120.0°
CADCAECAF119.4°120.0°
CAECADCAC122.5°120.0°
CAECAFCAA119.3°120.0°
CAECAFH4120.3°120.0°
CADCACNAM115.1°120.1°
CADCACCAB119.3°119.9°
CAFCAACAB122.0°120.0°
CAFCAAOAG123.4°120.0°
CAACAFH4120.4°120.0°
CBGCBFCBE111.8°109.3°
CBFCBGNBH115.8°108.8°
CBGCBFH22108.9°109.5°
CBGCBFH23108.9°109.5°
CBFCBGH24107.8°109.5°
CBFCBGH25107.9°109.6°
CBFCBENAQ120.1°109.5°
CBFCBECBJ108.4°109.5°
CBFCBEH17106.3°109.4°
CBECBFH22108.9°109.5°
CBECBFH23108.9°109.4°
CBGNBHCBK124.6°120.6°
CBGNBHCBI119.1°118.7°
NBHCBGH24107.9°109.6°
NBHCBGH25107.8°109.6°
CBNCBMCBK118.1°120.0°
CBNCBMH26121.0°120.0°
CBMCBNH28167.7°120.0°
CBMCBNC124.6°120.0°
CBMCBKNBH120.4°120.0°
CBMCBKOBL116.8°120.0°
CBKCBMH26121.0°120.0°
NAMCACCAB125.5°120.0°
CACNAMCAR122.4°120.5°
CACNAMCAN108.8°120.5°
CACCABCAA117.5°120.0°
CACCABCLK126.9°120.0°
CARNAMCAN116.7°119.0°
NAMCAROAW115.0°118.4°
NAMCARNAQ123.2°123.3°
NAMCANC5111.3°116.7°
NAMCANH8109.0°108.0°
NAMCANH9109.0°108.0°
CABCAAOAG114.7°120.0°
CAACABCLK115.6°120.0°
CAAOAGCAJ117.0°117.0°
OAWCARNAQ121.8°118.3°
CARNAQCBE122.8°118.6°
CARNAQC4116.1°123.0°
OAGCAJH5109.5°109.4°
OAGCAJH6109.5°109.5°
OAGCAJH7109.5°109.5°
CBKNBHCBI116.2°120.7°
NBHCBKOBL122.8°120.0°
NBHCBICBJ112.3°108.8°
NBHCBIH20108.8°109.6°
NBHCBIH21108.8°109.7°
CANC5C4119.6°118.2°
CANC5C6120.8°122.3°
C5CANH8109.0°108.1°
C5CANH9109.0°108.0°
NAQCBECBJ108.6°109.5°
CBENAQC4109.1°118.4°
NAQCBEH17106.4°109.5°
CBECBJCBI107.0°109.4°
CBJCBEH17106.3°109.5°
CBECBJH18110.1°109.5°
CBECBJH19110.1°109.5°
NAQC4C5119.6°119.8°
NAQC4N3121.3°121.5°
C4C5C6119.6°119.5°
C5C4N3119.0°118.7°
C5C6N1119.6°118.6°
C5C6H10120.2°120.7°
C4N3C2122.1°120.2°
CBACAZCAY119.5°119.9°
CAZCBACBB120.6°120.1°
CBACAZH12120.3°120.1°
CAZCBAH13119.7°120.0°
CAZCAYNAX123.1°120.1°
CAZCAYCBD118.8°119.9°
CAYCAZH12120.2°120.0°
C6N1C2119.3°120.8°
N1C6H10120.2°120.7°
CBACBBCBC120.1°120.1°
CBBCBAH13119.7°119.9°
CBACBBH14120.0°120.0°
N3C2N1120.3°122.1°
N3C2NAX123.9°118.9°
N1C2NAX115.8°119.0°
C2NAXCAY122.1°120.0°
C2NAXH11119.0°120.0°
CBICBJH18110.1°109.5°
CBICBJH19110.1°109.5°
CBJCBIH20108.8°109.6°
CBJCBIH21108.8°109.6°
NAXCAYCBD118.1°120.0°
CAYNAXH11119.0°120.0°
CAYCBDCBC121.5°119.9°
CAYCBDH16119.3°120.1°
CBBCBCCBD119.6°120.1°
CBCCBBH14120.0°119.9°
CBBCBCH15120.2°120.0°
CBDCBCH15120.2°119.9°
CBCCBDH16119.3°120.1°
H1CAIH2109.5°109.4°
H1CAIH3109.5°109.5°
H2CAIH3109.4°109.5°
H5CAJH6109.4°109.5°
H5CAJH7109.5°109.5°
H6CAJH7109.5°109.5°
H8CANH9109.5°107.8°
H18CBJH19109.5°109.5°
H20CBIH21109.4°109.6°
H22CBFH23109.5°109.5°
H24CBGH25109.5°109.7°
H28CBNC1167.7°120.0°
CBNC1N290.0°109.5°
CBNC1H2790.0°109.5°
CBNC1H2990.0°109.5°
C1N2C790.0°111.0°
C1N2C890.0°111.0°
N2C1H2790.0°109.4°
N2C1H2990.0°109.5°
C7N2C890.0°111.0°
N2C7H3090.0°109.5°
N2C7H3190.0°109.4°
N2C7H3290.0°109.5°
N2C8H3390.0°109.5°
N2C8H3490.0°109.4°
N2C8H3590.0°109.4°
H27C1H2990.0°109.5°
H30C7H3190.0°109.5°
H30C7H3290.0°109.5°
H31C7H3290.0°109.5°
H33C8H3490.0°109.5°
H33C8H3590.0°109.5°
H34C8H3590.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAIOAHCAECAD179.0°180.0°
CAIOAHCAECAF2.6°0.2°
OAHCAIH1H2120.0°120.0°
OAHCAIH1H3120.0°120.0°
OAHCAIH2H3120.0°120.1°
OAHCAECADCLL2.9°0.0°
OAHCAECADCAF178.5°179.8°
OAHCAECADCAC180.0°180.0°
OAHCAECAFCAA178.2°180.0°
CAEOAHCAIH1180.0°60.0°
CAEOAHCAIH260.0°179.9°
CAEOAHCAIH360.0°60.0°
OAHCAECAFH41.8°0.1°
CLLCADCAECAC177.1°180.0°
CLLCADCAECAF178.6°179.8°
CLLCADCACNAM4.0°0.0°
CLLCADCACCAB179.4°180.0°
CADCAECAFCAA0.2°0.2°
CAECADCACNAM178.8°180.0°
CAECADCACCAB2.2°0.0°
CADCAECAFH4179.8°179.7°
CAFCAECADCAC1.5°0.2°
CAECAFCAAH4180.0°179.9°
CAECAFCAACAB1.2°0.0°
CAECAFCAAOAG180.0°179.9°
CADCACNAMCAB176.4°180.0°
CADCACNAMCAR109.1°90.0°
CADCACNAMCAN109.9°90.2°
CADCACCABCAA1.2°0.2°
CADCACCABCLK179.2°180.0°
CAFCAACABCAC0.5°0.2°
CAFCAACABOAG178.9°180.0°
CAFCAAOAGCAJ3.7°0.0°
CAFCAACABCLK179.2°180.0°
CBGCBFCBEH22120.4°120.0°
CBGCBFCBEH23120.3°119.9°
CBFCBGNBHH24120.9°119.7°
CBFCBGNBHH25120.9°119.8°
CBFCBGNBHCBK147.6°126.4°
CBFCBGNBHCBI33.5°53.6°
CBGCBFCBENAQ172.4°178.7°
CBGCBFCBECBJ47.0°61.3°
CBGCBFCBEH1767.0°58.7°
CBGCBFH22H23118.9°120.1°
CBFCBGH24H25117.1°120.3°
CBECBFCBGNBH5.3°54.6°
CBFCBENAQCAR27.7°60.1°
CBFCBENAQCBJ125.3°120.1°
CBFCBENAQH17120.6°119.9°
CBFCBECBJH17114.0°120.0°
CBFCBENAQC4113.2°119.9°
CBFCBECBJCBI75.8°61.3°
CBFCBECBJH1843.8°58.7°
CBFCBECBJH19164.5°178.7°
CBECBFH22H23119.0°120.0°
CBECBFCBGH24126.2°65.2°
CBECBFCBGH25115.6°174.4°
CBGNBHCBKCBM0.5°174.4°
CBGNBHCBKCBI178.9°180.0°
CBGNBHCBKOBL179.9°5.7°
CBGNBHCBICBJ5.6°53.6°
CBGNBHCBIH20126.0°173.4°
CBGNBHCBIH21114.8°66.2°
NBHCBGCBFH22125.6°174.6°
NBHCBGCBFH23115.1°65.3°
NBHCBGH24H25117.1°120.4°
CBNCBMCBKH26180.0°180.0°
CBNCBMCBKNBH179.0°175.1°
CBNCBMCBKOBL0.5°5.0°
CBMCBNH28C1179.9°179.9°
CBMCBNC1N290.0°125.0°
CBMCBNC1H2790.0°115.0°
CBMCBNC1H2990.0°5.0°
CBMCBKNBHOBL179.4°180.0°
CBMCBKNBHCBI179.4°5.7°
CBKCBMCBNH2812.6°0.1°
CBKCBMCBNC1167.4°180.0°
CACNAMCARCAN138.2°179.8°
NAMCACCABCAA177.4°179.8°
CACNAMCAROAW14.6°0.0°
CACNAMCARNAQ163.1°180.0°
NAMCACCABCLK2.9°0.0°
CACNAMCANC5175.3°180.0°
CACNAMCANH864.4°58.2°
CACNAMCANH955.0°58.1°
CABCACNAMCAR74.5°90.0°
CABCACNAMCAN66.5°89.8°
CACCABCAACLK179.7°179.8°
CACCABCAAOAG179.4°179.7°
NAMCAROAWNAQ177.8°180.0°
CARNAMCANC541.2°0.2°
NAMCARNAQCBE144.4°180.0°
NAMCARNAQC46.0°0.0°
CARNAMCANH879.1°121.6°
CARNAMCANH9161.5°122.1°
CANNAMCAROAW152.7°179.8°
CANNAMCARNAQ25.0°0.2°
NAMCANC5H8120.3°121.8°
NAMCANC5H9120.3°121.8°
NAMCANC5C428.0°0.0°
NAMCANC5C6152.8°180.0°
NAMCANH8H9119.1°116.4°
CABCAAOAGCAJ175.3°180.0°
CABCAACAFH4178.8°180.0°
OAGCAACABCLK0.3°0.0°
OAGCAACAFH40.0°0.0°
CAAOAGCAJH5180.0°60.0°
CAAOAGCAJH660.0°60.0°
CAAOAGCAJH760.0°180.0°
OAWCARNAQCBE38.0°0.0°
OAWCARNAQC4176.4°180.0°
CARNAQCBEC4140.9°180.0°
CARNAQCBECBJ97.6°60.0°
CARNAQC4C519.7°0.3°
CARNAQC4N3163.7°179.9°
CARNAQCBEH17148.3°180.0°
OAGCAJH5H6120.0°120.0°
OAGCAJH5H7120.0°120.0°
OAGCAJH6H7120.0°120.0°
CBKNBHCBICBJ175.4°126.4°
CBKNBHCBIH2055.0°6.6°
CBKNBHCBIH2164.1°113.8°
CBKNBHCBGH2426.7°113.9°
CBKNBHCBGH2591.4°6.6°
NBHCBKCBMH261.0°4.9°
NBHCBICBJCBE46.9°54.7°
CBINBHCBKOBL1.2°174.3°
NBHCBICBJH20120.4°119.8°
NBHCBICBJH21120.4°119.9°
NBHCBICBJH1872.7°65.3°
NBHCBICBJH19166.5°174.6°
NBHCBIH20H21118.7°120.4°
CBINBHCBGH24154.4°66.2°
CBINBHCBGH2587.5°173.4°
CANC5C4NAQ0.9°0.2°
CANC5C4C6179.2°180.0°
CANC5C4N3177.6°180.0°
CANC5C6N1177.9°180.0°
C5CANH8H9119.2°116.5°
CANC5C6H102.1°0.0°
NAQCBECBJH17114.1°120.0°
CBENAQC4C5163.6°179.7°
CBENAQC4N319.8°0.1°
NAQCBECBJCBI152.2°178.6°
NAQCBECBJH1888.2°61.3°
NAQCBECBJH1932.6°58.7°
NAQCBECBFH2252.0°58.7°
NAQCBECBFH2367.3°61.4°
CBJCBENAQC4121.4°120.0°
CBECBJCBIH18119.6°120.0°
CBECBJCBIH19119.6°119.9°
CBECBJH18H19121.2°120.0°
CBECBJCBIH2073.5°174.4°
CBECBJCBIH21167.3°65.3°
CBJCBECBFH2273.4°178.7°
CBJCBECBFH23167.3°58.6°
OBLCBKCBMH26179.5°175.0°
NAQC4C5N3176.7°179.8°
NAQC4C5C6178.3°179.8°
NAQC4N3C2178.5°179.7°
C4NAQCBEH177.4°0.0°
C4C5C6N11.3°0.0°
C5C4N3C21.8°0.1°
C4C5CANH892.2°121.8°
C4C5CANH9148.3°121.8°
C4C5C6H10178.7°180.0°
C6C5C4N31.6°0.1°
C5C6N1H10180.0°180.0°
C5C6N1C21.2°0.0°
C6C5CANH886.9°58.2°
C6C5CANH932.5°58.2°
C4N3C2N11.8°0.0°
C4N3C2NAX179.4°180.0°
CBACAZCAYH12180.0°180.0°
CAZCBACBBH13180.0°180.0°
CBACAZCAYNAX179.0°180.0°
CBACAZCAYCBD0.5°0.2°
CAZCBACBBCBC0.9°0.0°
CAZCBACBBH14179.2°179.9°
CAYCAZCBACBB0.4°0.1°
CAZCAYNAXC231.4°35.7°
CAZCAYNAXCBD178.6°179.8°
CAZCAYCBDCBC0.9°0.5°
CAZCAYNAXH11148.6°144.3°
CAYCAZCBAH13179.6°180.0°
CAZCAYCBDH16179.2°179.7°
C6N1C2N31.5°0.0°
C6N1C2NAX179.7°180.0°
CBACBBCBCH14180.0°179.9°
CBACBBCBCCBD0.5°0.3°
CBBCBACAZH12179.6°180.0°
CBACBBCBCH15179.5°180.0°
N3C2N1NAX178.9°180.0°
N3C2NAXCAY6.6°176.1°
N3C2NAXH11173.4°4.0°
N1C2NAXCAY174.6°4.0°
C2N1C6H10178.8°180.0°
N1C2NAXH115.4°176.0°
C2NAXCAYH11180.0°179.9°
C2NAXCAYCBD150.0°144.5°
CBICBJCBEH1738.1°58.6°
CBICBJH18H19121.1°120.1°
CBJCBIH20H21118.7°120.3°
NAXCAYCBDCBC179.5°179.7°
NAXCAYCAZH121.0°0.0°
NAXCAYCBDH160.5°0.1°
CAYCBDCBCCBB0.4°0.6°
CAYCBDCBCH16180.0°179.7°
CBDCAYNAXH1130.0°35.5°
CBDCAYCAZH12179.5°179.7°
CAYCBDCBCH15179.6°179.7°
CBBCBCCBDH15180.0°179.7°
CBCCBBCBAH13179.1°180.0°
CBBCBCCBDH16179.6°179.7°
CBDCBCCBBH14179.6°179.7°
H1CAIH2H3120.0°120.0°
H5CAJH6H7120.0°120.0°
H12CAZCBAH130.4°0.0°
H13CBACBBH140.9°0.0°
H14CBBCBCH150.5°0.0°
H15CBCCBDH160.4°0.0°
H17CBECBJH18157.7°178.6°
H17CBECBJH1981.5°61.3°
H17CBECBFH22172.7°61.3°
H17CBECBFH2353.3°178.6°
H18CBJCBIH20166.9°54.4°
H18CBJCBIH2147.7°174.7°
H19CBJCBIH2046.1°65.6°
H19CBJCBIH2173.0°54.6°
H22CBFCBGH24113.4°54.8°
H22CBFCBGH254.7°65.6°
H23CBFCBGH245.9°174.9°
H23CBFCBGH25124.0°54.5°
H26CBMCBNH28167.4°179.9°
H26CBMCBNC112.6°0.0°
H28CBNC1N290.0°54.9°
H28CBNC1H2790.0°65.0°
H28CBNC1H2990.0°174.9°
CBNC1N2H2790.0°120.0°
CBNC1N2H2990.0°120.0°
CBNC1N2C790.0°66.0°
CBNC1N2C890.0°170.0°
CBNC1H27H2990.0°120.1°
C1N2C7C890.0°124.0°
N2C1H27H2990.0°120.0°
C1N2C7H3090.0°60.0°
C1N2C7H3190.0°180.0°
C1N2C7H3290.0°60.0°
C1N2C8H3390.0°60.0°
C1N2C8H3490.0°180.0°
C1N2C8H3590.0°60.0°
C7N2C1H2790.0°54.0°
C7N2C1H2990.0°174.0°
N2C7H30H3190.0°120.0°
N2C7H30H3290.0°120.0°
N2C7H31H3290.0°120.0°
C7N2C8H3390.0°176.0°
C7N2C8H3490.0°56.0°
C7N2C8H3590.0°64.0°
C8N2C1H2790.0°70.0°
C8N2C1H2990.0°50.0°
C8N2C7H3090.0°64.0°
C8N2C7H3190.0°56.0°
C8N2C7H3290.0°176.0°
N2C8H33H3490.0°120.0°
N2C8H33H3590.0°120.0°
N2C8H34H3590.0°120.0°
H30C7H31H3290.0°120.0°
H33C8H34H3590.0°120.1°

223532

PDB entries from 2024-08-07

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