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44O

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAESBKdoub1.42Å1.43Å
OADSBKdoub1.42Å1.43Å
SBKOAWsing1.52Å1.51Å
SBKNAVsing1.66Å1.61Å
OAWCANsing1.43Å1.42Å
NAVCAZsing1.35Å1.32Å
CALCBEsing1.53Å1.52Å
CALNASsing1.47Å1.44Å
CANCBEsing1.53Å1.52Å
CBEOAXsing1.43Å1.43Å
NASCAMsing1.47Å1.45Å
CAZOABdoub1.21Å1.22Å
CAZCAJsing1.51Å1.51Å
CAJCAHsing1.53Å1.53Å
OAXCBGsing1.43Å1.44Å
CAMCBGsing1.53Å1.53Å
CBGN9sing1.46Å1.47Å
CAHCAIsing1.53Å1.53Å
N9C4sing1.37Å1.33ÅAromatic
N9C8sing1.36Å1.34ÅAromatic
N3C4doub1.33Å1.36ÅAromatic
N3C2sing1.32Å1.34ÅAromatic
CAICAKsing1.53Å1.53Å
C4C5sing1.40Å1.39ÅAromatic
C8N7doub1.30Å1.34ÅAromatic
C2N1doub1.32Å1.34ÅAromatic
CAKCBHsing1.53Å1.53Å
C5N7sing1.35Å1.36ÅAromatic
C5C6doub1.41Å1.39ÅAromatic
NAUCBIsing1.47Å1.47Å
NAUCBAsing1.34Å1.33Å
N1C6sing1.33Å1.35ÅAromatic
CBICBHsing1.54Å1.54Å
CBICBFsing1.53Å1.53Å
CBHSAYsing1.84Å1.77Å
C6N6sing1.38Å1.36Å
CBAOACdoub1.22Å1.23Å
CBANATsing1.34Å1.34Å
CBFNATsing1.47Å1.45Å
CBFCAOsing1.54Å1.53Å
SAYCAOsing1.84Å1.77Å
C8H1sing1.08Å1.08Å
CBIH2sing1.09Å1.10Å
NAUH3sing0.97Å1.00Å
NATH4sing0.97Å1.00Å
CBFH5sing1.09Å1.10Å
CAOH6sing1.09Å1.10Å
CAOH7sing1.09Å1.10Å
CBHH8sing1.09Å1.10Å
CAKH9sing1.09Å1.10Å
CAKH10sing1.09Å1.10Å
CAIH11sing1.09Å1.10Å
CAIH12sing1.09Å1.10Å
CAHH13sing1.09Å1.10Å
CAHH14sing1.09Å1.10Å
CAJH15sing1.09Å1.10Å
CAJH16sing1.09Å1.10Å
NAVH17sing0.97Å1.00Å
CANH18sing1.09Å1.10Å
CANH19sing1.09Å1.10Å
CBEH20sing1.09Å1.10Å
CALH21sing1.09Å1.10Å
CALH22sing1.09Å1.10Å
NASH23sing1.01Å1.00Å
CAMH25sing1.09Å1.10Å
CAMH26sing1.09Å1.10Å
CBGH27sing1.09Å1.10Å
C2H28sing1.08Å1.08Å
N6H29sing0.97Å1.00Å
N6H30sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAESBKOAD109.2°123.1°
OAESBKOAW113.7°106.4°
OAESBKNAV110.1°106.4°
OADSBKOAW104.1°106.4°
OADSBKNAV109.3°106.4°
OAWSBKNAV110.2°107.2°
SBKOAWCAN123.1°114.0°
SBKNAVCAZ121.8°120.0°
SBKNAVH17119.1°120.0°
OAWCANCBE101.3°109.5°
OAWCANH18111.5°109.5°
OAWCANH19111.5°109.5°
NAVCAZOAB125.2°120.0°
NAVCAZCAJ114.9°120.0°
CAZNAVH17119.1°120.0°
CBECALNAS107.8°109.3°
CALCBECAN108.9°109.5°
CALCBEOAX111.6°109.2°
CALCBEH20109.0°109.5°
CBECALH21109.9°109.5°
CBECALH22109.9°109.5°
CALNASCAM119.3°110.7°
NASCALH21109.9°109.5°
NASCALH22109.9°109.5°
CALNASH23107.0°111.0°
CANCBEOAX108.3°109.5°
CBECANH18111.5°109.5°
CBECANH19111.5°109.5°
CANCBEH20108.9°109.5°
CBEOAXCBG118.5°113.7°
OAXCBEH20110.2°109.5°
NASCAMCBG109.6°109.3°
CAMNASH23107.0°111.0°
NASCAMH25109.4°109.5°
NASCAMH26109.5°109.5°
OABCAZCAJ119.9°120.0°
CAZCAJCAH110.3°109.5°
CAZCAJH15109.3°109.5°
CAZCAJH16109.3°109.5°
CAJCAHCAI110.9°109.5°
CAJCAHH13109.1°109.4°
CAJCAHH14109.1°109.4°
CAHCAJH15109.3°109.5°
CAHCAJH16109.3°109.5°
OAXCBGCAM111.7°109.2°
OAXCBGN9100.3°109.5°
OAXCBGH27111.1°109.5°
CAMCBGN9113.0°109.5°
CBGCAMH25109.5°109.5°
CBGCAMH26109.4°109.5°
CAMCBGH27109.9°109.5°
CBGN9C4125.9°126.3°
CBGN9C8124.8°126.3°
N9CBGH27110.6°109.5°
CAHCAICAK112.1°109.4°
CAHCAIH11108.8°109.5°
CAHCAIH12108.8°109.5°
CAICAHH13109.1°109.5°
CAICAHH14109.1°109.5°
C4N9C8109.1°107.4°
N9C4N3132.7°134.9°
N9C4C5107.2°106.0°
N9C8N7108.6°110.0°
N9C8H1125.7°124.9°
C4N3C2119.2°120.6°
N3C4C5120.1°119.1°
N3C2N1121.7°122.5°
N3C2H28119.1°118.7°
CAICAKCBH112.4°109.5°
CAICAKH9108.8°109.5°
CAICAKH10108.8°109.5°
CAKCAIH11108.8°109.5°
CAKCAIH12108.8°109.5°
C4C5N7106.7°107.2°
C4C5C6119.2°118.2°
C8N7C5108.3°109.4°
N7C8H1125.7°125.0°
C2N1C6121.5°121.2°
N1C2H28119.2°118.8°
CAKCBHCBI114.5°110.8°
CAKCBHSAY112.4°110.8°
CAKCBHH8109.3°110.8°
CBHCAKH9108.7°109.4°
CBHCAKH10108.7°109.4°
N7C5C6134.0°134.7°
C5C6N1118.4°118.4°
C5C6N6122.1°120.8°
CBINAUCBA111.1°109.0°
NAUCBICBH113.8°109.2°
NAUCBICBF102.8°104.1°
NAUCBIH2110.9°110.5°
CBINAUH3124.5°125.5°
NAUCBAOAC124.1°123.0°
NAUCBANAT111.0°113.9°
CBANAUH3124.4°125.5°
N1C6N6119.5°120.8°
CBHCBICBF109.1°112.4°
CBICBHSAY104.6°102.7°
CBHCBIH2109.9°110.2°
CBICBHH8109.2°110.8°
CBICBFNAT104.0°104.0°
CBICBFCAO110.6°112.4°
CBFCBIH2110.0°110.3°
CBICBFH5110.6°110.3°
CBHSAYCAO93.3°94.8°
SAYCBHH8106.5°110.8°
C6N6H29109.5°120.0°
C6N6H30109.4°120.0°
OACCBANAT124.8°123.1°
CBANATCBF110.9°109.0°
CBANATH4124.6°125.5°
NATCBFCAO109.2°109.2°
CBFNATH4124.6°125.5°
NATCBFH5111.8°110.2°
CBFCAOSAY105.7°102.7°
CAOCBFH5110.5°110.5°
CBFCAOH6110.4°110.8°
CBFCAOH7110.4°110.8°
SAYCAOH6110.4°110.7°
SAYCAOH7110.4°110.9°
H6CAOH7109.5°110.7°
H9CAKH10109.4°109.5°
H11CAIH12109.4°109.5°
H13CAHH14109.5°109.5°
H15CAJH16109.5°109.4°
H18CANH19109.5°109.4°
H21CALH22109.5°109.5°
H25CAMH26109.5°109.5°
H29N6H30109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAESBKOADOAW121.7°122.9°
OAESBKOADNAV120.5°123.0°
OAESBKOAWNAV124.2°113.6°
OAESBKOAWCAN56.7°171.4°
OAESBKNAVCAZ173.3°48.5°
OAESBKNAVH176.7°131.4°
OADSBKOAWNAV117.1°113.6°
OADSBKOAWCAN175.4°38.5°
OADSBKNAVCAZ53.4°178.5°
OADSBKNAVH17126.6°1.5°
OAWSBKNAVCAZ60.5°65.0°
SBKOAWCANCBE160.2°180.0°
OAWSBKNAVH17119.5°115.0°
SBKOAWCANH1881.1°60.0°
SBKOAWCANH1941.5°60.0°
NAVSBKOAWCAN67.5°75.0°
SBKNAVCAZH17180.0°179.9°
SBKNAVCAZOAB0.5°0.0°
SBKNAVCAZCAJ178.9°180.0°
OAWCANCBECAL140.2°175.2°
OAWCANCBEH18118.7°120.0°
OAWCANCBEH19118.7°120.0°
OAWCANCBEOAX98.4°65.0°
OAWCANH18H19123.8°120.0°
OAWCANCBEH2021.5°55.1°
NAVCAZOABCAJ179.4°180.0°
NAVCAZCAJCAH118.7°180.0°
NAVCAZCAJH15121.1°59.9°
NAVCAZCAJH161.4°60.0°
CBECALNASH21119.7°119.9°
CBECALNASH22119.7°120.0°
CALCBECANOAX121.5°119.8°
CALCBECANH20118.7°120.1°
CALCBEOAXH20121.2°120.0°
CBECALNASCAM54.6°58.6°
CALCBEOAXCBG51.5°58.7°
CALCBECANH18101.2°64.7°
CALCBECANH1921.5°55.2°
CBECALH21H22120.8°120.1°
CBECALNASH23176.0°177.6°
NASCALCBECAN169.5°176.8°
NASCALCBEOAX50.1°56.9°
CALNASCAMH23121.4°123.8°
CALNASCAMCBG51.8°58.6°
NASCALCBEH2071.8°63.1°
NASCALH21H22120.8°120.1°
CALNASCAMH2568.2°61.3°
CALNASCAMH26171.8°178.6°
CANCBEOAXH20119.0°120.1°
CANCBEOAXCBG171.3°178.6°
CBECANH18H19123.8°120.0°
CANCBECALH2149.8°56.8°
CANCBECALH2270.7°63.3°
CBEOAXCBGCAM47.8°58.7°
CBEOAXCBGN9167.7°178.6°
OAXCBECANH1820.3°55.1°
OAXCBECANH19142.9°175.0°
OAXCBECALH2169.7°63.1°
OAXCBECALH22169.8°176.8°
CBEOAXCBGH2775.3°61.3°
NASCAMCBGOAX43.5°56.9°
NASCAMCBGH25120.0°120.0°
NASCAMCBGH26120.0°119.9°
NASCAMCBGN9155.7°176.8°
CAMNASCALH2165.1°61.3°
CAMNASCALH22174.4°178.6°
NASCAMH25H26120.0°120.1°
NASCAMCBGH2780.2°63.0°
OABCAZCAJCAH61.9°0.0°
OABCAZCAJH1558.3°120.1°
OABCAZCAJH16178.0°120.0°
OABCAZNAVH17179.5°179.9°
CAZCAJCAHH15120.1°120.0°
CAZCAJCAHH16120.1°120.0°
CAZCAJCAHCAI174.9°180.0°
CAZCAJCAHH1364.9°60.0°
CAZCAJCAHH1454.7°60.0°
CAZCAJH15H16119.6°120.0°
CAJCAZNAVH171.1°0.1°
CAJCAHCAIH13120.2°120.0°
CAJCAHCAIH14120.2°120.0°
CAJCAHCAICAK178.8°180.0°
CAJCAHCAIH1160.8°60.0°
CAJCAHCAIH1258.4°60.0°
CAJCAHH13H14119.4°119.9°
CAHCAJH15H16119.6°120.0°
OAXCBGCAMN9112.2°119.9°
OAXCBGCAMH27123.7°119.9°
OAXCBGN9H27117.4°120.1°
OAXCBGN9C496.6°155.0°
OAXCBGN9C877.9°25.0°
CBGOAXCBEH2069.7°61.3°
OAXCBGCAMH2576.5°63.1°
OAXCBGCAMH26163.5°176.8°
CAMCBGN9H27123.7°120.1°
CAMCBGN9C4144.4°85.2°
CAMCBGN9C841.1°94.8°
CBGCAMNASH23173.2°177.6°
CBGCAMH25H26119.9°120.1°
CBGN9C4C8175.2°180.0°
CBGN9C4N33.7°0.4°
CBGN9C4C5176.6°180.0°
CBGN9C8N7177.1°179.8°
CBGN9C8H12.9°0.1°
N9CBGCAMH2535.7°56.8°
N9CBGCAMH2684.3°63.3°
CAHCAICAKH11120.4°120.0°
CAHCAICAKH12120.4°120.0°
CAHCAICAKCBH170.0°180.0°
CAHCAICAKH969.6°60.1°
CAHCAICAKH1049.5°60.0°
CAHCAIH11H12118.8°120.0°
CAICAHH13H14119.3°120.1°
CAICAHCAJH1554.7°60.0°
CAICAHCAJH1665.0°60.0°
N9C4N3C5179.7°179.5°
N9C4N3C2179.8°179.6°
C4N9C8N71.8°0.2°
N9C4C5N70.3°0.3°
N9C4C5C6179.4°179.8°
C4N9C8H1178.2°179.8°
C4N9CBGH2720.8°34.9°
C8N9C4N3178.9°179.7°
C8N9C4C51.3°0.1°
N9C8N7H1180.0°179.6°
N9C8N7C51.6°0.4°
C8N9CBGH27164.7°145.1°
C4N3C2N10.4°0.0°
N3C4C5N7179.9°180.0°
N3C4C5C60.4°0.1°
C4N3C2H28179.6°180.0°
C2N3C4C50.1°0.1°
N3C2N1H28180.0°180.0°
N3C2N1C60.3°0.0°
CAICAKCBHH9120.4°120.0°
CAICAKCBHH10120.5°120.0°
CAICAKCBHCBI67.8°175.0°
CAICAKCBHSAY173.1°71.7°
CAICAKCBHH855.0°51.6°
CAICAKH9H10118.7°120.1°
CAKCAIH11H12118.8°120.0°
CAKCAICAHH1358.6°60.0°
CAKCAICAHH1460.9°60.0°
C4C5N7C80.8°0.5°
C4C5N7C6179.7°179.9°
C4C5C6N10.5°0.1°
C4C5C6N6179.1°180.0°
C8N7C5C6179.6°179.7°
C2N1C6C50.2°0.0°
C2N1C6N6178.8°179.9°
CAKCBHCBINAU40.0°28.0°
CAKCBHCBISAY123.4°118.3°
CAKCBHCBIH8122.9°123.4°
CAKCBHCBICBF154.2°142.9°
CAKCBHSAYH8119.6°123.4°
CAKCBHSAYCAO163.2°153.0°
CAKCBHCBIH285.1°93.6°
CBHCAKH9H10118.7°119.9°
CBHCAKCAIH1149.6°60.0°
CBHCAKCAIH1269.6°60.0°
N7C5C6N1179.9°179.9°
N7C5C6N61.3°0.1°
C5N7C8H1178.4°180.0°
C5C6N1N6178.6°179.9°
C5C6N6H29178.6°0.0°
C5C6N6H3058.6°179.9°
CBINAUCBAH3180.0°179.9°
NAUCBICBHCBF114.1°114.9°
NAUCBICBHH2125.1°121.6°
NAUCBICBFH2118.2°118.5°
NAUCBICBHSAY83.4°90.3°
CBINAUCBAOAC175.4°180.0°
CBINAUCBANAT3.0°0.0°
NAUCBICBFNAT2.5°0.0°
NAUCBICBFCAO114.6°118.0°
NAUCBICBFH5122.6°118.2°
NAUCBICBHH8162.9°151.4°
CBANAUCBICBH117.8°120.2°
CBANAUCBICBF0.1°0.0°
NAUCBAOACNAT178.2°180.0°
NAUCBANATCBF4.8°0.0°
CBANAUCBIH2117.7°118.4°
NAUCBANATH4175.2°180.0°
C6N1C2H28179.7°180.0°
N1C6N6H290.0°180.0°
N1C6N6H30120.0°0.0°
CBHCBICBFH2120.7°123.4°
CBICBHSAYH8115.5°118.3°
CBHCBICBFNAT123.6°118.0°
CBHCBICBFCAO6.5°0.0°
CBICBHSAYCAO38.4°34.7°
CBHCBINAUH362.2°59.7°
CBHCBICBFH5116.3°123.8°
CBICBHCAKH952.6°65.0°
CBICBHCAKH10171.7°55.0°
CBFCBICBHSAY30.7°24.6°
CBICBFNATCBA4.4°0.0°
CBICBFNATCAO118.1°120.2°
CBICBFNATH5119.3°118.2°
CBICBFCAOH5122.8°123.7°
CBICBFCAOSAY20.8°24.6°
CBFCBINAUH3179.9°179.9°
CBICBFNATH4175.5°180.0°
CBICBFCAOH698.6°93.7°
CBICBFCAOH7140.2°143.1°
CBFCBICBHH882.9°93.7°
CBHSAYCAOCBF34.8°34.7°
SAYCBHCBIH2151.5°148.1°
CBHSAYCAOH684.6°83.6°
CBHSAYCAOH7154.2°153.1°
SAYCBHCAKH966.5°48.3°
SAYCBHCAKH1052.6°168.3°
C6N6H29H30120.0°180.0°
OACCBANATCBF173.6°180.0°
OACCBANAUH34.6°0.1°
OACCBANATH46.4°0.0°
CBANATCBFH4180.0°180.0°
CBANATCBFCAO113.6°120.2°
NATCBANAUH3177.0°179.9°
CBANATCBFH5123.7°118.2°
NATCBFCAOH5123.4°121.4°
NATCBFCAOSAY93.0°90.3°
NATCBFCBIH2115.7°118.6°
NATCBFCAOH6147.6°151.4°
NATCBFCAOH726.4°28.2°
CBFCAOSAYH6119.4°118.3°
CBFCAOSAYH7119.4°118.4°
CAOCBFCBIH2127.2°123.5°
CAOCBFNATH466.4°59.8°
CBFCAOH6H7121.8°123.3°
SAYCAOCBFH5143.6°148.3°
SAYCAOH6H7121.8°123.4°
CAOSAYCBHH877.1°83.6°
H2CBINAUH362.4°61.7°
H2CBICBFH54.4°0.3°
H2CBICBHH837.8°29.8°
H4NATCBFH556.3°61.8°
H5CBFCAOH624.2°30.0°
H5CBFCAOH797.0°93.2°
H8CBHCAKH9175.5°171.6°
H8CBHCAKH1065.4°68.4°
H9CAKCAIH11170.0°180.0°
H9CAKCAIH1250.8°59.9°
H10CAKCAIH1170.9°59.9°
H10CAKCAIH12169.9°180.0°
H11CAICAHH13179.0°180.0°
H11CAICAHH1459.5°60.0°
H12CAICAHH1361.8°59.9°
H12CAICAHH14178.7°180.0°
H13CAHCAJH15174.9°180.0°
H13CAHCAJH1655.2°60.0°
H14CAHCAJH1565.5°60.1°
H14CAHCAJH16174.8°180.0°
H18CANCBEH20140.1°175.1°
H19CANCBEH2097.2°64.9°
H20CBECALH21168.4°176.9°
H20CBECALH2247.9°56.8°
H21CALNASH2356.3°62.4°
H22CALNASH2364.2°57.7°
H23NASCAMH2553.1°62.4°
H23NASCAMH2666.8°57.6°
H25CAMCBGH27159.8°177.0°
H26CAMCBGH2739.8°56.9°

222415

PDB entries from 2024-07-10

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