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44K

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAOSAYsing1.84Å1.76Å
CAOCBFsing1.54Å1.53Å
SAYCBHsing1.85Å1.77Å
NATCBFsing1.47Å1.45Å
NATCBAsing1.34Å1.33Å
N6C6sing1.38Å1.36Å
CBFCBIsing1.53Å1.53Å
OACCBAdoub1.22Å1.23Å
CBANAUsing1.34Å1.33Å
CBHCBIsing1.54Å1.54Å
CBHCAKsing1.53Å1.53Å
C6N1doub1.33Å1.35ÅAromatic
C6C5sing1.40Å1.40ÅAromatic
CBINAUsing1.47Å1.46Å
N1C2sing1.32Å1.34ÅAromatic
CAKCAIsing1.53Å1.52Å
N7C5sing1.36Å1.36ÅAromatic
N7C8doub1.30Å1.35ÅAromatic
C5C4doub1.40Å1.38ÅAromatic
C2N3doub1.32Å1.34ÅAromatic
C8N9sing1.36Å1.34ÅAromatic
CAICAHsing1.53Å1.52Å
C4N3sing1.33Å1.35ÅAromatic
C4N9sing1.37Å1.34ÅAromatic
N9CBGsing1.46Å1.48Å
CAHCAJsing1.53Å1.53Å
CBGCAMsing1.54Å1.52Å
CBGCAXsing1.54Å1.53Å
CAJCAZsing1.51Å1.51Å
CAMCALsing1.54Å1.52Å
CAXCBEsing1.55Å1.53Å
OABCAZdoub1.21Å1.23Å
CALCBEsing1.55Å1.52Å
CAZNAVsing1.35Å1.34Å
CBECANsing1.53Å1.53Å
CANNAWsing1.46Å1.46Å
NAVSBKsing1.66Å1.61Å
NAWSBKsing1.66Å1.60Å
SBKOADdoub1.42Å1.44Å
SBKOAEdoub1.42Å1.46Å
CBIH1sing1.09Å1.10Å
NAUH2sing0.97Å1.00Å
NATH3sing0.97Å1.00Å
CBFH4sing1.09Å1.10Å
CAOH5sing1.09Å1.10Å
CAOH6sing1.09Å1.10Å
CBHH7sing1.09Å1.10Å
CAKH8sing1.09Å1.10Å
CAKH9sing1.09Å1.10Å
CAIH10sing1.09Å1.10Å
CAIH11sing1.09Å1.10Å
CAHH12sing1.09Å1.10Å
CAHH13sing1.09Å1.10Å
CAJH14sing1.09Å1.10Å
CAJH15sing1.09Å1.10Å
NAVH16sing0.97Å1.00Å
NAWH17sing0.97Å1.00Å
CANH18sing1.09Å1.10Å
CANH19sing1.09Å1.10Å
CBEH20sing1.09Å1.10Å
CAXH21sing1.09Å1.10Å
CAXH22sing1.09Å1.10Å
CALH23sing1.09Å1.10Å
CALH24sing1.09Å1.10Å
CAMH25sing1.09Å1.10Å
CAMH26sing1.09Å1.10Å
CBGH27sing1.09Å1.10Å
C8H28sing1.08Å1.08Å
C2H29sing1.08Å1.08Å
N6H30sing0.97Å1.00Å
N6H31sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
SAYCAOCBF106.3°102.7°
CAOSAYCBH93.6°94.8°
SAYCAOH5110.3°110.8°
SAYCAOH6110.2°110.7°
CAOCBFNAT107.5°109.2°
CAOCBFCBI111.3°112.3°
CAOCBFH4110.9°110.5°
CBFCAOH5110.3°110.8°
CBFCAOH6110.3°110.7°
SAYCBHCBI105.2°102.4°
SAYCBHCAK114.0°110.8°
SAYCBHH7105.9°110.8°
CBFNATCBA110.7°109.1°
NATCBFCBI104.0°104.0°
CBFNATH3124.7°125.5°
NATCBFH4112.1°110.3°
NATCBAOAC124.3°123.0°
NATCBANAU111.0°113.9°
CBANATH3124.6°125.5°
N6C6N1119.8°120.7°
N6C6C5122.7°120.8°
C6N6H30109.5°120.0°
C6N6H31109.4°120.0°
CBFCBICBH108.3°112.7°
CBFCBINAU102.4°104.0°
CBFCBIH1109.9°110.3°
CBICBFH4110.8°110.3°
OACCBANAU124.7°123.1°
CBANAUCBI111.4°109.0°
CBANAUH2124.3°125.5°
CBICBHCAK114.4°111.0°
CBHCBINAU115.4°109.2°
CBHCBIH1109.7°110.2°
CBICBHH7108.3°110.9°
CBHCAKCAI111.9°109.5°
CAKCBHH7108.5°110.8°
CBHCAKH8108.9°109.4°
CBHCAKH9108.8°109.4°
N1C6C5117.5°118.4°
C6N1C2121.5°121.2°
C6C5N7133.6°134.7°
C6C5C4119.4°118.2°
NAUCBIH1110.9°110.2°
CBINAUH2124.3°125.5°
N1C2N3122.4°122.4°
N1C2H29118.8°118.8°
CAKCAICAH110.7°109.5°
CAICAKH8108.8°109.5°
CAICAKH9108.8°109.4°
CAKCAIH10109.1°109.5°
CAKCAIH11109.1°109.4°
C5N7C8107.1°109.4°
N7C5C4106.9°107.1°
N7C8N9109.9°110.0°
N7C8H28125.0°125.0°
C5C4N3120.7°119.1°
C5C4N9108.6°106.0°
C2N3C4118.5°120.7°
N3C2H29118.8°118.8°
C8N9C4107.5°107.4°
C8N9CBG128.0°126.3°
N9C8H28125.0°125.0°
CAICAHCAJ111.9°109.5°
CAHCAIH10109.2°109.4°
CAHCAIH11109.2°109.5°
CAICAHH12108.8°109.4°
CAICAHH13108.8°109.5°
N3C4N9130.7°134.9°
C4N9CBG124.5°126.3°
N9CBGCAM110.8°110.0°
N9CBGCAX108.4°110.1°
N9CBGH27111.0°110.0°
CAHCAJCAZ110.0°109.5°
CAJCAHH12108.9°109.5°
CAJCAHH13108.9°109.5°
CAHCAJH14109.3°109.4°
CAHCAJH15109.3°109.5°
CAMCBGCAX106.1°106.6°
CBGCAMCAL106.6°106.6°
CBGCAMH25110.2°110.1°
CBGCAMH26110.2°110.0°
CAMCBGH27110.3°110.0°
CBGCAXCBE107.9°104.2°
CBGCAXH21109.9°110.5°
CBGCAXH22109.9°110.6°
CAXCBGH27110.2°110.0°
CAJCAZOAB120.1°120.0°
CAJCAZNAV116.0°120.0°
CAZCAJH14109.3°109.5°
CAZCAJH15109.4°109.5°
CAMCALCBE105.7°104.2°
CAMCALH23110.4°110.5°
CAMCALH24110.4°110.6°
CALCAMH25110.2°110.1°
CALCAMH26110.2°110.0°
CAXCBECAL104.2°102.9°
CAXCBECAN111.4°110.8°
CAXCBEH20109.3°110.7°
CBECAXH21109.9°110.5°
CBECAXH22109.8°110.5°
OABCAZNAV123.9°120.0°
CALCBECAN112.9°110.8°
CALCBEH20109.5°110.7°
CBECALH23110.4°110.4°
CBECALH24110.4°110.5°
CAZNAVSBK122.6°120.0°
CAZNAVH16118.7°120.0°
CBECANNAW109.6°109.5°
CBECANH18109.4°109.5°
CBECANH19109.4°109.4°
CANCBEH20109.4°110.7°
CANNAWSBK123.0°120.0°
CANNAWH17106.0°120.0°
NAWCANH18109.4°109.5°
NAWCANH19109.5°109.5°
NAVSBKNAW109.0°107.2°
NAVSBKOAD111.4°106.4°
NAVSBKOAE107.8°106.4°
SBKNAVH16118.7°120.0°
NAWSBKOAD108.0°106.4°
NAWSBKOAE109.3°106.4°
SBKNAWH17106.0°120.0°
OADSBKOAE111.4°123.1°
H5CAOH6109.5°110.8°
H8CAKH9109.5°109.5°
H10CAIH11109.5°109.5°
H12CAHH13109.5°109.5°
H14CAJH15109.5°109.5°
H18CANH19109.5°109.4°
H21CAXH22109.4°110.4°
H23CALH24109.5°110.4°
H25CAMH26109.4°110.0°
H30N6H31109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
SAYCAOCBFH5119.5°118.4°
SAYCAOCBFH6119.5°118.3°
SAYCAOCBFNAT94.9°90.2°
SAYCAOCBFCBI18.4°24.6°
CAOSAYCBHCBI37.0°34.7°
CAOSAYCBHCAK163.2°153.0°
SAYCAOCBFH4142.3°148.3°
SAYCAOH5H6121.4°123.4°
CAOSAYCBHH777.6°83.6°
CBFCAOSAYCBH32.4°34.7°
CAOCBFNATCBI118.1°120.1°
CAOCBFNATH4122.1°121.7°
CAOCBFNATCBA113.2°120.2°
CAOCBFCBIH4124.0°123.8°
CAOCBFCBICBH7.9°0.1°
CAOCBFCBINAU114.5°118.0°
CAOCBFCBIH1127.6°123.8°
CAOCBFNATH366.8°60.0°
CBFCAOH5H6121.5°123.3°
SAYCBHCBICBF30.4°24.7°
SAYCBHCBICAK126.0°118.2°
SAYCBHCBIH7112.8°118.2°
SAYCBHCAKH7117.7°123.3°
SAYCBHCBINAU83.6°90.4°
SAYCBHCAKCAI174.5°66.4°
SAYCBHCBIH1150.3°148.4°
CBHSAYCAOH5151.9°83.7°
CBHSAYCAOH687.1°152.9°
SAYCBHCAKH854.1°53.6°
SAYCBHCAKH965.2°173.6°
CBFNATCBAH3180.0°179.8°
NATCBFCBIH4120.6°118.2°
CBFNATCBAOAC171.9°180.0°
CBFNATCBANAU7.5°0.0°
NATCBFCBICBH123.3°118.1°
NATCBFCBINAU1.0°0.0°
NATCBFCBIH1116.9°118.2°
NATCBFCAOH524.7°151.4°
NATCBFCAOH6145.7°28.0°
CBANATCBFCBI5.0°0.0°
NATCBAOACNAU179.3°180.0°
NATCBANAUCBI6.8°0.0°
NATCBANAUH2173.2°180.0°
CBANATCBFH4124.7°118.2°
N6C6N1C5179.1°179.7°
N6C6N1C2179.8°180.0°
N6C6C5N71.7°0.3°
N6C6C5C4180.0°180.0°
C6N6H30H31120.0°180.0°
CBFCBINAUCBA3.3°0.0°
CBFCBICBHNAU114.0°115.1°
CBFCBICBHH1119.9°123.7°
CBFCBICBHCAK156.4°142.9°
CBFCBINAUH1117.1°118.2°
CBFCBINAUH2176.7°180.0°
CBICBFNATH3175.0°179.9°
CBICBFCAOH5137.9°93.8°
CBICBFCAOH6101.1°142.9°
CBFCBICBHH782.4°93.5°
OACCBANAUCBI172.6°180.0°
OACCBANAUH27.4°0.0°
OACCBANATH38.0°0.1°
CBANAUCBICBH114.1°120.5°
CBANAUCBIH2180.0°180.0°
CBANAUCBIH1120.5°118.2°
NAUCBANATH3172.6°179.9°
CBICBHCAKH7121.1°123.7°
CBHCBINAUH1125.4°121.2°
CBICBHCAKCAI64.3°179.4°
CBHCBINAUH265.9°59.5°
CBHCBICBFH4116.1°123.7°
CBICBHCAKH8175.3°59.4°
CBICBHCAKH956.1°60.6°
CAKCBHCBINAU42.3°27.8°
CBHCAKCAIH8120.4°120.0°
CBHCAKCAIH9120.4°120.0°
CBHCAKCAICAH170.9°180.0°
CAKCBHCBIH183.7°93.4°
CBHCAKH8H9118.9°119.9°
CBHCAKCAIH1068.9°60.0°
CBHCAKCAIH1150.7°60.0°
N1C6C5N7179.3°180.0°
N1C6C5C41.0°0.3°
C6N1C2N30.8°0.1°
C6N1C2H29179.2°179.8°
N1C6N6H300.0°0.0°
N1C6N6H31120.0°179.9°
C5C6N1C20.7°0.3°
C6C5N7C4178.5°179.7°
C6C5N7C8178.9°180.0°
C6C5C4N31.3°0.2°
C6C5C4N9179.9°179.8°
C5C6N6H30179.0°179.7°
C5C6N6H3161.0°0.4°
NAUCBICBFH4121.6°118.2°
NAUCBICBHH7163.5°151.4°
N1C2N3H29180.0°180.0°
N1C2N3C41.1°0.0°
CAKCAICAHH10120.2°120.0°
CAKCAICAHH11120.2°120.0°
CAKCAICAHCAJ176.6°180.0°
CAICAKCBHH756.8°56.9°
CAICAKH8H9118.9°120.0°
CAKCAIH10H11119.4°120.0°
CAKCAICAHH1263.0°60.0°
CAKCAICAHH1356.2°60.0°
C5N7C8N90.4°0.1°
N7C5C4N3180.0°180.0°
N7C5C4N91.2°0.4°
C5N7C8H28179.6°180.0°
C8N7C5C40.5°0.3°
N7C8N9H28180.0°179.9°
N7C8N9C41.1°0.2°
N7C8N9CBG178.5°180.0°
C5C4N3C21.3°0.0°
C5C4N9C81.4°0.4°
C5C4N3N9178.5°179.5°
C5C4N9CBG178.9°179.9°
C2N3C4N9179.9°179.5°
C8N9C4N3179.9°179.9°
C8N9C4CBG177.5°179.8°
C8N9CBGCAM13.4°58.6°
C8N9CBGCAX102.6°58.6°
C8N9CBGH27136.2°180.0°
CAICAHCAJH12120.4°120.0°
CAICAHCAJH13120.4°120.1°
CAICAHCAJCAZ175.0°180.0°
CAHCAICAKH850.5°60.0°
CAHCAICAKH968.8°60.0°
CAHCAIH10H11119.5°120.0°
CAICAHH12H13118.9°120.0°
CAICAHCAJH1465.0°60.0°
CAICAHCAJH1554.9°59.9°
N3C4N9CBG2.4°0.4°
C4N3C2H29178.9°180.0°
C4N9CBGCAM169.6°121.2°
C4N9CBGCAX74.4°121.7°
C4N9CBGH2746.8°0.2°
C4N9C8H28178.9°179.7°
N9CBGCAMCAX117.4°119.3°
N9CBGCAMH27123.2°121.4°
N9CBGCAXH27121.6°121.4°
N9CBGCAMCAL102.9°119.3°
N9CBGCAXCBE123.7°142.8°
N9CBGCAXH213.9°98.5°
N9CBGCAXH22116.5°24.1°
N9CBGCAMH25137.5°0.0°
N9CBGCAMH2616.7°121.4°
CBGN9C8H281.5°0.1°
CAHCAJCAZH14120.1°119.9°
CAHCAJCAZH15120.1°120.0°
CAHCAJCAZOAB64.0°0.1°
CAHCAJCAZNAV117.4°180.0°
CAJCAHCAIH1056.4°60.0°
CAJCAHCAIH1163.2°60.0°
CAJCAHH12H13118.9°120.0°
CAHCAJH14H15119.7°119.9°
CAMCBGCAXH27119.4°119.3°
CBGCAMCALH25119.6°119.4°
CBGCAMCALH26119.6°119.2°
CAMCBGCAXCBE4.7°23.5°
CBGCAMCALCBE28.5°23.5°
CAMCBGCAXH21115.1°142.2°
CAMCBGCAXH22124.5°95.2°
CBGCAMCALH23147.9°95.2°
CBGCAMCALH2490.9°142.2°
CBGCAMH25H26121.3°121.4°
CAXCBGCAMCAL14.5°0.0°
CBGCAXCBEH21119.8°118.7°
CBGCAXCBEH22119.8°118.8°
CBGCAXCBECAL22.0°37.8°
CBGCAXCBECAN144.0°156.3°
CBGCAXCBEH2095.0°80.6°
CBGCAXH21H22120.7°122.7°
CAXCBGCAMH25105.1°119.4°
CAXCBGCAMH26134.1°119.2°
CAJCAZOABNAV178.5°180.0°
CAJCAZNAVSBK169.4°180.0°
CAZCAJCAHH1254.6°60.0°
CAZCAJCAHH1364.7°60.0°
CAZCAJH14H15119.8°120.1°
CAJCAZNAVH1610.6°0.0°
CAMCALCBECAX30.8°37.8°
CAMCALCBEH23119.4°118.6°
CAMCALCBEH24119.4°118.9°
CAMCALCBECAN151.9°156.2°
CAMCALCBEH2086.1°80.5°
CAMCALH23H24121.8°122.7°
CALCAMH25H26121.4°121.3°
CALCAMCBGH27133.9°119.3°
CAXCBECALCAN121.1°118.4°
CAXCBECALH20116.9°118.3°
CAXCBECANH20121.0°123.2°
CAXCBECANNAW69.9°177.5°
CAXCBECANH18170.1°57.5°
CAXCBECANH1950.1°62.5°
CBECAXH21H22120.7°122.5°
CAXCBECALH23150.2°80.9°
CAXCBECALH2488.6°156.6°
CBECAXCBGH27114.7°95.8°
OABCAZNAVSBK9.2°0.0°
OABCAZCAJH14175.9°120.0°
OABCAZCAJH1556.1°119.9°
OABCAZNAVH16170.8°179.9°
CALCBECANH20122.1°123.3°
CALCBECANNAW173.2°68.9°
CALCBECANH1853.3°171.0°
CALCBECANH1966.7°51.1°
CALCBECAXH2197.8°156.5°
CALCBECAXH22141.7°81.0°
CBECALH23H24121.7°122.5°
CBECALCAMH2591.1°142.9°
CBECALCAMH26148.0°95.8°
CAZNAVSBKH16180.0°180.0°
CAZNAVSBKNAW68.0°65.0°
CAZNAVSBKOAD51.1°178.5°
CAZNAVSBKOAE173.5°48.6°
NAVCAZCAJH142.6°60.0°
NAVCAZCAJH15122.5°60.0°
CBECANNAWH18120.0°120.0°
CBECANNAWH19120.0°120.0°
CBECANNAWSBK161.9°165.0°
CBECANNAWH1776.2°15.0°
CBECANH18H19119.9°120.0°
CANCBECAXH2124.2°85.0°
CANCBECAXH2296.3°37.4°
CANCBECALH2388.7°37.6°
CANCBECALH2432.4°84.9°
CANNAWSBKNAV60.5°65.0°
CANNAWSBKH17121.9°180.0°
CANNAWSBKOAD178.3°48.6°
CANNAWSBKOAE57.0°178.5°
NAWCANH18H19120.0°120.0°
NAWCANCBEH2051.1°54.4°
NAVSBKNAWOAD121.2°113.6°
NAVSBKNAWOAE117.5°113.5°
NAVSBKOADOAE120.3°122.9°
NAVSBKNAWH1761.4°115.0°
NAWSBKOADOAE120.0°122.9°
NAWSBKNAVH16112.0°115.0°
SBKNAWCANH1841.9°74.9°
SBKNAWCANH1978.1°45.0°
OADSBKNAVH16128.9°1.5°
OADSBKNAWH1759.8°131.5°
OAESBKNAVH166.5°131.4°
OAESBKNAWH17178.9°1.4°
H1CBINAUH259.6°61.8°
H1CBICBFH43.7°0.0°
H1CBICBHH737.5°30.2°
H3NATCBFH455.3°61.6°
H4CBFCAOH598.2°29.9°
H4CBFCAOH622.8°93.5°
H7CBHCAKH863.6°177.0°
H7CBHCAKH9177.1°63.1°
H8CAKCAIH10170.7°180.0°
H8CAKCAIH1169.7°60.0°
H9CAKCAIH1051.4°60.0°
H9CAKCAIH11171.0°180.0°
H10CAICAHH12176.8°180.0°
H10CAICAHH1364.0°60.0°
H11CAICAHH1257.1°60.0°
H11CAICAHH13176.4°180.0°
H12CAHCAJH14174.7°180.0°
H12CAHCAJH1565.5°60.0°
H13CAHCAJH1455.4°60.1°
H13CAHCAJH15175.2°NaN°
H17NAWCANH18163.8°105.0°
H17NAWCANH1943.7°135.0°
H18CANCBEH2068.9°65.7°
H19CANCBEH20171.1°174.3°
H20CBECAXH21145.2°38.2°
H20CBECAXH2224.8°160.6°
H20CBECALH2333.3°160.8°
H20CBECALH24154.5°38.3°
H21CAXCBGH27125.6°22.9°
H22CAXCBGH275.1°145.5°
H23CALCAMH2528.3°24.3°
H23CALCAMH2692.5°145.6°
H24CALCAMH25149.5°98.3°
H24CALCAMH2628.7°23.0°
H25CAMCBGH2714.3°121.4°
H26CAMCBGH27106.6°0.0°

224201

PDB entries from 2024-08-28

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