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44Q

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAESBKdoub1.42Å1.44Å
OADSBKdoub1.42Å1.44Å
SBKNAWsing1.66Å1.60Å
SBKNAVsing1.66Å1.60Å
NAWCANsing1.47Å1.45Å
NAVCAZsing1.35Å1.33Å
CBECANsing1.53Å1.52Å
CBECALsing1.54Å1.52Å
CBEOAXsing1.44Å1.43Å
O1CAMsing1.43Å1.43Å
CALCAMsing1.55Å1.52Å
CAZOABdoub1.21Å1.22Å
CAZCAJsing1.51Å1.51Å
OAXCBGsing1.44Å1.43Å
CAMCBGsing1.54Å1.52Å
CAJCAHsing1.53Å1.53Å
CBGN9sing1.46Å1.48Å
CAHCAIsing1.53Å1.53Å
N9C4sing1.37Å1.33ÅAromatic
N9C8sing1.36Å1.34ÅAromatic
N3C4doub1.33Å1.35ÅAromatic
N3C2sing1.32Å1.34ÅAromatic
C4C5sing1.40Å1.38ÅAromatic
CAICAKsing1.53Å1.53Å
C8N7doub1.30Å1.35ÅAromatic
C2N1doub1.32Å1.34ÅAromatic
C5N7sing1.35Å1.35ÅAromatic
C5C6doub1.41Å1.39ÅAromatic
CAKCBHsing1.53Å1.52Å
N1C6sing1.33Å1.35ÅAromatic
NAUCBIsing1.47Å1.45Å
NAUCBAsing1.34Å1.33Å
C6N6sing1.38Å1.35Å
CBICBHsing1.54Å1.53Å
CBICBFsing1.53Å1.53Å
CBHSAYsing1.84Å1.76Å
OACCBAdoub1.22Å1.22Å
CBANATsing1.34Å1.33Å
CBFNATsing1.47Å1.44Å
CBFCAOsing1.54Å1.52Å
SAYCAOsing1.84Å1.76Å
C2H1sing1.08Å1.08Å
N6H2sing0.97Å1.00Å
N6H3sing0.97Å1.00Å
C8H4sing1.08Å1.08Å
CBIH5sing1.09Å1.10Å
NAUH6sing0.97Å1.00Å
NATH7sing0.97Å1.00Å
CBFH8sing1.09Å1.10Å
CAOH9sing1.09Å1.10Å
CAOH10sing1.09Å1.10Å
CBHH11sing1.09Å1.10Å
CAKH12sing1.09Å1.10Å
CAKH13sing1.09Å1.10Å
CAIH14sing1.09Å1.10Å
CAIH15sing1.09Å1.10Å
CAHH16sing1.09Å1.10Å
CAHH17sing1.09Å1.10Å
CAJH18sing1.09Å1.10Å
CAJH19sing1.09Å1.10Å
NAVH20sing0.97Å1.00Å
NAWH21sing0.97Å1.00Å
CANH22sing1.09Å1.10Å
CANH23sing1.09Å1.10Å
CBEH24sing1.09Å1.10Å
CALH25sing1.09Å1.10Å
CALH26sing1.09Å1.10Å
CAMH27sing1.09Å1.10Å
CBGH28sing1.09Å1.10Å
O1H29sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAESBKOAD108.6°123.1°
OAESBKNAW108.3°106.4°
OAESBKNAV110.4°106.4°
OADSBKNAW108.1°106.4°
OADSBKNAV109.9°106.4°
NAWSBKNAV111.4°107.2°
SBKNAWCAN122.3°120.0°
SBKNAWH21106.2°120.0°
SBKNAVCAZ120.8°120.0°
SBKNAVH20119.6°120.0°
NAWCANCBE106.7°109.5°
CANNAWH21106.2°120.0°
NAWCANH22110.2°109.5°
NAWCANH23110.2°109.5°
NAVCAZOAB123.0°120.0°
NAVCAZCAJ116.8°120.0°
CAZNAVH20119.6°120.0°
CANCBECAL112.0°110.4°
CANCBEOAX110.6°110.4°
CBECANH22110.2°109.5°
CBECANH23110.2°109.4°
CANCBEH24108.7°110.4°
CALCBEOAX106.8°104.8°
CBECALCAM103.8°104.1°
CALCBEH24108.8°110.4°
CBECALH25110.9°110.6°
CBECALH26110.9°110.5°
CBEOAXCBG110.8°105.3°
OAXCBEH24110.0°110.5°
O1CAMCAL108.9°110.6°
O1CAMCBG108.3°110.5°
O1CAMH27112.5°110.6°
CAMO1H29109.5°113.9°
CALCAMCBG104.6°104.1°
CAMCALH25110.9°110.6°
CAMCALH26110.8°110.5°
CALCAMH27111.2°110.5°
OABCAZCAJ120.2°120.0°
CAZCAJCAH109.9°109.5°
CAZCAJH18109.4°109.5°
CAZCAJH19109.4°109.5°
OAXCBGCAM107.2°104.8°
OAXCBGN9109.7°110.4°
OAXCBGH28110.3°110.4°
CAMCBGN9110.9°110.3°
CBGCAMH27111.1°110.5°
CAMCBGH28109.1°110.3°
CAJCAHCAI111.9°109.5°
CAJCAHH16108.8°109.4°
CAJCAHH17108.9°109.5°
CAHCAJH18109.4°109.4°
CAHCAJH19109.4°109.5°
CBGN9C4124.8°126.3°
CBGN9C8126.8°126.3°
N9CBGH28109.6°110.4°
CAHCAICAK111.9°109.5°
CAHCAIH14108.9°109.5°
CAHCAIH15108.9°109.5°
CAICAHH16108.9°109.5°
CAICAHH17108.9°109.5°
C4N9C8108.4°107.5°
N9C4N3132.5°134.9°
N9C4C5107.7°106.0°
N9C8N7109.0°110.0°
N9C8H4125.5°125.0°
C4N3C2120.1°120.7°
N3C4C5119.8°119.1°
N3C2N1121.3°122.4°
N3C2H1119.4°118.8°
C4C5N7107.4°107.2°
C4C5C6118.9°118.2°
CAICAKCBH110.0°109.5°
CAICAKH12109.4°109.5°
CAICAKH13109.3°109.5°
CAKCAIH14108.8°109.4°
CAKCAIH15108.9°109.4°
C8N7C5107.5°109.4°
N7C8H4125.5°125.0°
C2N1C6120.8°121.2°
N1C2H1119.4°118.8°
N7C5C6133.6°134.7°
C5C6N1119.1°118.5°
C5C6N6120.6°120.8°
CAKCBHCBI112.7°110.8°
CAKCBHSAY112.7°110.8°
CAKCBHH11109.6°110.8°
CBHCAKH12109.3°109.4°
CBHCAKH13109.3°109.5°
N1C6N6120.2°120.8°
CBINAUCBA111.6°109.1°
NAUCBICBH112.2°109.3°
NAUCBICBF102.2°104.0°
NAUCBIH5110.8°110.6°
CBINAUH6124.2°125.5°
NAUCBAOAC125.3°123.1°
NAUCBANAT110.5°113.9°
CBANAUH6124.2°125.5°
C6N6H2109.5°120.0°
C6N6H3109.4°119.9°
CBHCBICBF112.1°112.4°
CBICBHSAY105.2°102.7°
CBHCBIH5109.7°110.2°
CBICBHH11109.6°110.8°
CBICBFNAT103.4°104.0°
CBICBFCAO112.5°112.4°
CBFCBIH5109.7°110.2°
CBICBFH8110.6°110.3°
CBHSAYCAO100.6°94.8°
SAYCBHH11106.9°110.8°
OACCBANAT124.2°123.1°
CBANATCBF110.8°109.1°
CBANATH7124.6°125.5°
NATCBFCAO107.6°109.2°
CBFNATH7124.6°125.5°
NATCBFH8111.8°110.2°
CBFCAOSAY106.3°102.7°
CAOCBFH8110.7°110.5°
CBFCAOH9110.3°110.7°
CBFCAOH10110.2°110.8°
SAYCAOH9110.3°110.7°
SAYCAOH10110.2°111.0°
H2N6H3109.4°120.0°
H9CAOH10109.5°110.7°
H12CAKH13109.5°109.4°
H14CAIH15109.5°109.5°
H16CAHH17109.5°109.5°
H18CAJH19109.4°109.5°
H22CANH23109.4°109.5°
H25CALH26109.5°110.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAESBKOADNAW117.4°123.0°
OAESBKOADNAV120.8°122.9°
OAESBKNAWNAV121.6°113.5°
OAESBKNAWCAN84.7°178.6°
OAESBKNAVCAZ161.3°48.6°
OAESBKNAVH2018.7°131.4°
OAESBKNAWH2137.1°1.5°
OADSBKNAWNAV120.9°113.6°
OADSBKNAWCAN157.8°48.5°
OADSBKNAVCAZ41.5°178.6°
OADSBKNAVH20138.5°1.4°
OADSBKNAWH2180.4°131.4°
SBKNAWCANH21121.8°180.0°
NAWSBKNAVCAZ78.4°65.0°
SBKNAWCANCBE164.8°165.0°
NAWSBKNAVH20101.6°115.0°
SBKNAWCANH2275.6°75.0°
SBKNAWCANH2345.2°45.0°
NAVSBKNAWCAN36.9°65.1°
SBKNAVCAZH20180.0°180.0°
SBKNAVCAZOAB18.5°0.0°
SBKNAVCAZCAJ161.5°180.0°
NAVSBKNAWH21158.7°115.0°
NAWCANCBEH22119.6°120.0°
NAWCANCBEH23119.6°120.0°
NAWCANCBECAL153.2°175.0°
NAWCANCBEOAX87.8°69.6°
NAWCANH22H23121.3°120.0°
NAWCANCBEH2433.0°52.7°
NAVCAZOABCAJ180.0°180.0°
NAVCAZCAJCAH101.1°180.0°
NAVCAZCAJH18138.8°60.0°
NAVCAZCAJH1918.9°60.0°
CANCBECALOAX121.2°118.8°
CANCBECALH24120.2°122.3°
CANCBEOAXH24120.1°122.3°
CANCBECALCAM145.7°142.8°
CANCBEOAXCBG136.0°159.3°
CBECANNAWH2143.0°15.0°
CBECANH22H23121.3°119.9°
CANCBECALH2526.7°24.1°
CANCBECALH2695.2°98.6°
CALCBEOAXH24117.8°118.9°
CBECALCAMO190.1°118.6°
CBECALCAMH25119.1°118.7°
CBECALCAMH26119.1°118.6°
CALCBEOAXCBG13.9°40.6°
CBECALCAMCBG25.5°0.1°
CALCBECANH2287.2°64.9°
CALCBECANH2333.6°55.0°
CBECALH25H26122.7°122.6°
CBECALCAMH27145.4°118.7°
OAXCBECALCAM24.5°24.0°
CBEOAXCBGCAM2.7°40.5°
CBEOAXCBGN9117.8°159.3°
OAXCBECANH2231.8°50.4°
OAXCBECANH23152.6°170.4°
OAXCBECALH2594.6°94.7°
OAXCBECALH26143.6°142.6°
CBEOAXCBGH28121.3°78.3°
O1CAMCALCBG115.6°118.7°
O1CAMCALH27124.5°122.7°
O1CAMCBGOAX97.9°142.7°
O1CAMCBGH27124.0°122.7°
O1CAMCBGN9142.3°98.5°
O1CAMCALH25150.8°122.7°
O1CAMCALH2629.0°0.0°
O1CAMCBGH2821.5°23.8°
CALCAMCBGOAX18.0°24.0°
CALCAMCBGH27120.0°118.6°
CALCAMCBGN9101.7°142.8°
CAMCALCBEH2494.1°94.9°
CAMCALH25H26122.6°122.7°
CALCAMCBGH28137.5°94.9°
CALCAMO1H29180.0°61.4°
OABCAZCAJCAH78.9°0.0°
OABCAZCAJH1841.2°119.9°
OABCAZCAJH19161.0°120.0°
OABCAZNAVH20161.6°180.0°
CAZCAJCAHH18120.1°120.0°
CAZCAJCAHH19120.1°120.0°
CAZCAJCAHCAI171.5°180.0°
CAZCAJCAHH1668.1°60.0°
CAZCAJCAHH1751.2°60.0°
CAZCAJH18H19119.8°120.0°
CAJCAZNAVH2018.5°0.0°
OAXCBGCAMN9119.7°118.8°
OAXCBGCAMH28119.5°118.9°
OAXCBGN9H28121.3°122.4°
OAXCBGN9C471.4°156.4°
OAXCBGN9C8108.6°23.5°
CBGOAXCBEH24103.9°78.3°
OAXCBGCAMH27138.0°94.6°
CAMCBGN9H28120.5°122.3°
CAMCBGN9C4170.3°88.2°
CAMCBGN9C89.6°91.9°
CBGCAMCALH2593.6°118.7°
CBGCAMCALH26144.6°118.7°
CBGCAMO1H2966.9°176.1°
CAJCAHCAIH16120.4°119.9°
CAJCAHCAIH17120.4°120.0°
CAJCAHCAICAK176.9°180.0°
CAJCAHCAIH1456.5°60.0°
CAJCAHCAIH1562.7°60.0°
CAJCAHH16H17118.9°120.0°
CAHCAJH18H19119.8°120.0°
CBGN9C4C8180.0°179.9°
CBGN9C4N30.0°0.9°
CBGN9C4C5180.0°179.9°
CBGN9C8N7180.0°179.9°
CBGN9C8H40.0°0.0°
N9CBGCAMH2718.3°24.2°
CAHCAICAKH14120.4°120.0°
CAHCAICAKH15120.4°120.0°
CAHCAICAKCBH168.2°180.0°
CAHCAICAKH1271.7°60.0°
CAHCAICAKH1348.1°60.0°
CAHCAIH14H15118.9°120.1°
CAICAHH16H17118.9°120.0°
CAICAHCAJH1851.5°60.0°
CAICAHCAJH1968.4°60.0°
N9C4N3C5179.9°178.9°
N9C4N3C2179.9°179.4°
C4N9C8N70.0°0.0°
N9C4C5N70.0°0.0°
N9C4C5C6180.0°180.0°
C4N9C8H4180.0°179.9°
C4N9CBGH2849.8°34.1°
C8N9C4N3179.9°179.0°
C8N9C4C50.0°0.0°
N9C8N7H4180.0°180.0°
N9C8N7C50.0°0.0°
C8N9CBGH28130.1°145.9°
C4N3C2N10.3°0.0°
N3C4C5N7179.9°179.2°
N3C4C5C60.0°0.8°
C4N3C2H1179.7°179.7°
C2N3C4C50.2°0.5°
N3C2N1H1180.0°179.7°
N3C2N1C60.2°0.3°
C4C5N7C80.0°0.0°
C4C5N7C6180.0°180.0°
C4C5C6N10.0°0.6°
C4C5C6N6179.9°180.0°
CAICAKCBHH12120.1°120.0°
CAICAKCBHH13120.1°120.0°
CAICAKCBHCBI76.8°175.0°
CAICAKCBHSAY164.4°71.7°
CAICAKCBHH1145.5°51.6°
CAICAKH12H13119.8°120.0°
CAKCAIH14H15118.9°119.9°
CAKCAICAHH1662.8°60.0°
CAKCAICAHH1756.5°60.0°
C8N7C5C6179.9°180.0°
C2N1C6C50.1°0.0°
C2N1C6N6179.8°179.5°
N7C5C6N1180.0°179.5°
N7C5C6N60.1°0.0°
C5N7C8H4180.0°179.9°
C5C6N1N6179.9°179.5°
C5C6N6H2179.9°0.0°
C5C6N6H359.9°180.0°
CAKCBHCBINAU27.4°28.0°
CAKCBHCBISAY123.1°118.3°
CAKCBHCBIH11122.3°123.4°
CAKCBHCBICBF141.7°143.0°
CAKCBHSAYH11120.5°123.4°
CAKCBHSAYCAO139.2°153.0°
CAKCBHCBIH596.2°93.7°
CBHCAKH12H13119.7°120.0°
CBHCAKCAIH1447.8°60.0°
CBHCAKCAIH1571.4°60.0°
C6N1C2H1179.8°180.0°
N1C6N6H20.0°179.4°
N1C6N6H3120.0°0.5°
CBINAUCBAH6180.0°180.0°
NAUCBICBHCBF114.3°114.9°
NAUCBICBHH5123.6°121.7°
NAUCBICBFH5117.5°118.5°
NAUCBICBHSAY95.7°90.3°
CBINAUCBAOAC174.2°180.0°
CBINAUCBANAT4.5°0.0°
NAUCBICBFNAT9.0°0.0°
NAUCBICBFCAO106.8°118.0°
NAUCBICBFH8128.9°118.2°
NAUCBICBHH11149.7°151.4°
CBANAUCBICBH123.6°120.2°
CBANAUCBICBF3.3°0.0°
NAUCBAOACNAT178.6°179.9°
NAUCBANATCBF11.1°0.0°
CBANAUCBIH5113.4°118.3°
NAUCBANATH7168.9°180.0°
C6N6H2H3120.0°179.9°
CBHCBICBFH5122.1°123.4°
CBICBHSAYH11116.5°118.4°
CBHCBICBFNAT129.4°118.1°
CBHCBICBFCAO13.6°0.1°
CBICBHSAYCAO16.1°34.7°
CBHCBINAUH656.5°59.8°
CBHCBICBFH8110.8°123.7°
CBICBHCAKH1243.3°65.0°
CBICBHCAKH13163.1°55.0°
CBFCBICBHSAY18.7°24.7°
CBICBFNATCBA12.5°0.0°
CBICBFNATCAO119.3°120.2°
CBICBFNATH8119.0°118.2°
CBICBFCAOH8124.3°123.7°
CBICBFCAOSAY1.5°24.6°
CBFCBINAUH6176.7°180.0°
CBICBFNATH7167.5°180.0°
CBICBFCAOH9121.1°93.7°
CBICBFCAOH10118.0°143.1°
CBFCBICBHH1196.0°93.7°
CBHSAYCAOCBF8.8°34.7°
SAYCBHCBIH5140.7°148.1°
CBHSAYCAOH9110.7°83.6°
CBHSAYCAOH10128.3°153.1°
SAYCBHCAKH1275.5°48.3°
SAYCBHCAKH1344.3°168.2°
OACCBANATCBF167.7°180.0°
OACCBANAUH65.8°0.0°
OACCBANATH712.3°0.0°
CBANATCBFH7180.0°180.0°
CBANATCBFCAO106.8°120.2°
NATCBANAUH6175.5°180.0°
CBANATCBFH8131.5°118.2°
NATCBFCAOH8122.5°121.5°
NATCBFCAOSAY114.8°90.3°
NATCBFCBIH5108.5°118.5°
NATCBFCAOH9125.7°151.4°
NATCBFCAOH104.7°28.2°
CBFCAOSAYH9119.5°118.2°
CBFCAOSAYH10119.5°118.4°
CAOCBFCBIH5135.7°123.5°
CAOCBFNATH773.2°59.8°
CBFCAOH9H10121.4°123.3°
SAYCAOCBFH8122.7°148.2°
SAYCAOH9H10121.4°123.5°
CAOSAYCBHH11100.4°83.6°
H5CBINAUH666.5°61.7°
H5CBICBFH811.3°0.3°
H5CBICBHH1126.1°29.7°
H7NATCBFH848.6°61.8°
H8CBFCAOH93.2°30.0°
H8CBFCAOH10117.8°93.2°
H11CBHCAKH12165.6°171.7°
H11CBHCAKH1374.6°68.4°
H12CAKCAIH14167.9°180.0°
H12CAKCAIH1548.6°60.0°
H13CAKCAIH1472.2°60.1°
H13CAKCAIH15168.5°180.0°
H14CAICAHH16176.9°180.0°
H14CAICAHH1763.8°60.0°
H15CAICAHH1657.6°59.9°
H15CAICAHH17176.9°179.9°
H16CAHCAJH18171.8°NaN°
H16CAHCAJH1952.0°60.0°
H17CAHCAJH1868.9°60.0°
H17CAHCAJH19171.2°179.9°
H21NAWCANH22162.6°105.0°
H21NAWCANH2376.6°135.0°
H22CANCBEH24152.6°172.8°
H23CANCBEH2486.6°67.3°
H24CBECALH25146.8°146.4°
H24CBECALH2625.0°23.7°
H25CALCAMH2726.3°0.0°
H26CALCAMH2795.5°122.7°
H27CAMCBGH28102.5°146.5°
H27CAMO1H2956.3°61.2°

225681

PDB entries from 2024-10-02

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