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44R

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAESBKdoub1.42Å1.44Å
OADSBKdoub1.42Å1.44Å
SBKNAWsing1.66Å1.60Å
SBKNAVsing1.66Å1.60Å
NAWCANsing1.46Å1.45Å
NAVCAZsing1.35Å1.33Å
CANCBEsing1.53Å1.52Å
CAZOABdoub1.21Å1.22Å
CAZCAJsing1.51Å1.51Å
CBEOAXsing1.43Å1.42Å
OAXCBGsing1.43Å1.43Å
CAJCAHsing1.53Å1.52Å
CBGN9sing1.47Å1.46Å
CAHCAIsing1.53Å1.52Å
N9C4sing1.37Å1.33ÅAromatic
N9C8sing1.36Å1.34ÅAromatic
N3C4doub1.33Å1.35ÅAromatic
N3C2sing1.32Å1.34ÅAromatic
CAICAKsing1.53Å1.52Å
C4C5sing1.41Å1.38ÅAromatic
C8N7doub1.30Å1.35ÅAromatic
C2N1doub1.32Å1.34ÅAromatic
C5N7sing1.35Å1.35ÅAromatic
C5C6doub1.41Å1.39ÅAromatic
CAKCBHsing1.53Å1.52Å
N1C6sing1.33Å1.35ÅAromatic
NAUCBIsing1.47Å1.45Å
NAUCBAsing1.34Å1.33Å
C6N6sing1.38Å1.36Å
CBICBHsing1.54Å1.53Å
CBICBFsing1.53Å1.53Å
CBHSAYsing1.84Å1.76Å
OACCBAdoub1.22Å1.22Å
CBANATsing1.34Å1.32Å
CBFNATsing1.47Å1.44Å
CBFCAOsing1.54Å1.52Å
SAYCAOsing1.84Å1.75Å
C2H1sing1.08Å1.08Å
C8H2sing1.08Å1.08Å
CBIH3sing1.09Å1.10Å
NAUH4sing0.97Å1.00Å
NATH5sing0.97Å1.00Å
CBFH6sing1.09Å1.10Å
CAOH7sing1.09Å1.10Å
CAOH8sing1.09Å1.10Å
CBHH9sing1.09Å1.10Å
CAKH10sing1.09Å1.10Å
CAKH11sing1.09Å1.10Å
CAIH12sing1.09Å1.10Å
CAIH13sing1.09Å1.10Å
CAHH14sing1.09Å1.10Å
CAHH15sing1.09Å1.10Å
CAJH16sing1.09Å1.10Å
CAJH17sing1.09Å1.10Å
NAVH18sing0.97Å1.00Å
NAWH19sing0.97Å1.00Å
CANH20sing1.09Å1.10Å
CANH21sing1.09Å1.10Å
CBEH22sing1.09Å1.10Å
CBEH23sing1.09Å1.10Å
CBGH24sing1.09Å1.10Å
CBGH25sing1.09Å1.10Å
N6H26sing0.97Å1.00Å
N6H27sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAESBKOAD108.7°123.1°
OAESBKNAW107.9°106.4°
OAESBKNAV109.8°106.4°
OADSBKNAW109.5°106.4°
OADSBKNAV110.3°106.4°
NAWSBKNAV110.7°107.2°
SBKNAWCAN120.7°120.0°
SBKNAWH19106.6°120.0°
SBKNAVCAZ121.3°120.0°
SBKNAVH18119.4°120.0°
NAWCANCBE111.1°109.5°
CANNAWH19106.6°120.0°
NAWCANH20109.1°109.5°
NAWCANH21109.0°109.5°
NAVCAZOAB123.9°120.0°
NAVCAZCAJ116.3°120.0°
CAZNAVH18119.4°120.0°
CANCBEOAX107.8°109.5°
CBECANH20109.0°109.5°
CBECANH21109.0°109.4°
CANCBEH22109.9°109.5°
CANCBEH23109.9°109.5°
OABCAZCAJ119.8°120.0°
CAZCAJCAH109.8°109.5°
CAZCAJH16109.4°109.4°
CAZCAJH17109.4°109.5°
CBEOAXCBG112.9°114.0°
OAXCBEH22109.9°109.4°
OAXCBEH23109.9°109.5°
OAXCBGN9106.5°109.5°
OAXCBGH24110.2°109.5°
OAXCBGH25110.2°109.5°
CAJCAHCAI110.3°109.4°
CAJCAHH14109.2°109.4°
CAJCAHH15109.2°109.5°
CAHCAJH16109.4°109.4°
CAHCAJH17109.4°109.5°
CBGN9C4125.8°126.3°
CBGN9C8125.7°126.3°
N9CBGH24110.2°109.4°
N9CBGH25110.2°109.5°
CAHCAICAK111.5°109.5°
CAHCAIH12109.0°109.5°
CAHCAIH13109.0°109.4°
CAICAHH14109.3°109.4°
CAICAHH15109.3°109.5°
C4N9C8108.5°107.4°
N9C4N3132.9°134.9°
N9C4C5107.5°106.0°
N9C8N7109.0°110.0°
N9C8H2125.5°125.0°
C4N3C2120.1°120.7°
N3C4C5119.7°119.1°
N3C2N1121.3°122.4°
N3C2H1119.3°118.8°
CAICAKCBH109.4°109.5°
CAICAKH10109.5°109.5°
CAICAKH11109.5°109.5°
CAKCAIH12109.0°109.5°
CAKCAIH13109.0°109.5°
C4C5N7107.6°107.1°
C4C5C6119.1°118.1°
C8N7C5107.5°109.4°
N7C8H2125.5°125.0°
C2N1C6120.7°121.2°
N1C2H1119.3°118.8°
N7C5C6133.4°134.7°
C5C6N1119.1°118.5°
C5C6N6120.4°120.8°
CAKCBHCBI112.3°110.8°
CAKCBHSAY111.4°110.8°
CAKCBHH9110.2°110.9°
CBHCAKH10109.5°109.5°
CBHCAKH11109.5°109.5°
N1C6N6120.5°120.8°
CBINAUCBA111.6°109.0°
NAUCBICBH111.9°109.2°
NAUCBICBF102.4°104.0°
NAUCBIH3110.7°110.6°
CBINAUH4124.2°125.5°
NAUCBAOAC125.1°123.0°
NAUCBANAT110.6°113.9°
CBANAUH4124.2°125.5°
C6N6H26109.5°120.0°
C6N6H27109.5°120.0°
CBHCBICBF112.4°112.4°
CBICBHSAY105.1°102.7°
CBHCBIH3109.7°110.2°
CBICBHH9110.1°110.7°
CBICBFNAT103.3°104.0°
CBICBFCAO112.5°112.4°
CBFCBIH3109.6°110.2°
CBICBFH6110.5°110.2°
CBHSAYCAO101.1°94.8°
SAYCBHH9107.4°110.7°
OACCBANAT124.3°123.1°
CBANATCBF111.1°109.1°
CBANATH5124.4°125.4°
NATCBFCAO107.7°109.2°
CBFNATH5124.5°125.5°
NATCBFH6111.8°110.2°
CBFCAOSAY106.2°102.7°
CAOCBFH6110.7°110.6°
CBFCAOH7110.3°110.7°
CBFCAOH8110.3°110.8°
SAYCAOH7110.3°110.7°
SAYCAOH8110.3°111.0°
H7CAOH8109.4°110.7°
H10CAKH11109.5°109.4°
H12CAIH13109.5°109.5°
H14CAHH15109.4°109.6°
H16CAJH17109.5°109.5°
H20CANH21109.5°109.5°
H22CBEH23109.5°109.5°
H24CBGH25109.5°109.5°
H26N6H27109.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAESBKOADNAW117.6°122.9°
OAESBKOADNAV120.3°123.0°
OAESBKNAWNAV120.1°113.6°
OAESBKNAWCAN107.6°178.5°
OAESBKNAVCAZ152.9°48.6°
OAESBKNAVH1827.1°131.5°
OAESBKNAWH1914.0°1.4°
OADSBKNAWNAV121.8°113.6°
OADSBKNAWCAN134.3°48.6°
OADSBKNAVCAZ33.2°178.5°
OADSBKNAVH18146.8°1.4°
OADSBKNAWH19104.1°131.5°
SBKNAWCANH19121.6°179.9°
NAWSBKNAVCAZ88.1°65.0°
SBKNAWCANCBE179.5°165.0°
NAWSBKNAVH1891.9°115.0°
SBKNAWCANH2059.3°75.0°
SBKNAWCANH2160.2°45.0°
NAVSBKNAWCAN12.5°65.0°
SBKNAVCAZH18180.0°180.0°
SBKNAVCAZOAB14.1°0.1°
SBKNAVCAZCAJ165.6°180.0°
NAVSBKNAWH19134.1°115.0°
NAWCANCBEH20120.3°120.0°
NAWCANCBEH21120.2°120.0°
NAWCANCBEOAX74.3°65.0°
NAWCANH20H21119.2°120.0°
NAWCANCBEH22165.9°175.0°
NAWCANCBEH2345.4°55.0°
NAVCAZOABCAJ179.7°179.9°
NAVCAZCAJCAH103.9°180.0°
NAVCAZCAJH16136.1°60.1°
NAVCAZCAJH1716.2°59.9°
CANCBEOAXH22119.7°120.0°
CANCBEOAXH23119.7°120.0°
CANCBEOAXCBG163.8°180.0°
CBECANNAWH1958.9°15.0°
CBECANH20H21119.2°120.0°
CANCBEH22H23120.8°120.0°
OABCAZCAJCAH76.4°0.1°
OABCAZCAJH1643.7°120.0°
OABCAZCAJH17163.5°120.0°
OABCAZNAVH18165.9°180.0°
CAZCAJCAHH16120.0°119.9°
CAZCAJCAHH17120.1°120.1°
CAZCAJCAHCAI169.1°180.0°
CAZCAJCAHH1470.7°60.1°
CAZCAJCAHH1549.0°60.0°
CAZCAJH16H17119.9°120.0°
CAJCAZNAVH1814.4°0.1°
CBEOAXCBGN9107.8°180.0°
OAXCBECANH2046.0°55.0°
OAXCBECANH21165.4°175.0°
OAXCBEH22H23120.8°120.0°
CBEOAXCBGH2411.7°60.0°
CBEOAXCBGH25132.7°60.0°
OAXCBGN9H24119.5°120.0°
OAXCBGN9H25119.5°120.0°
OAXCBGN9C479.7°180.0°
OAXCBGN9C8100.6°0.0°
CBGOAXCBEH2244.1°60.0°
CBGOAXCBEH2376.4°60.0°
OAXCBGH24H25121.4°120.0°
CAJCAHCAIH14120.1°119.9°
CAJCAHCAIH15120.1°120.0°
CAJCAHCAICAK177.9°180.0°
CAJCAHCAIH1257.6°60.0°
CAJCAHCAIH1361.8°60.0°
CAJCAHH14H15119.6°120.1°
CAHCAJH16H17119.8°120.0°
CBGN9C4C8179.8°180.0°
CBGN9C4N30.6°0.3°
CBGN9C4C5179.8°180.0°
CBGN9C8N7179.9°179.7°
CBGN9C8H20.1°0.2°
N9CBGH24H25121.4°120.0°
CAHCAICAKH12120.3°120.0°
CAHCAICAKH13120.3°120.0°
CAHCAICAKCBH167.9°180.0°
CAHCAICAKH1072.1°60.0°
CAHCAICAKH1147.9°60.0°
CAHCAIH12H13119.1°120.0°
CAICAHH14H15119.6°120.0°
CAICAHCAJH1649.1°60.1°
CAICAHCAJH1770.8°60.0°
N9C4N3C5179.1°179.7°
N9C4N3C2179.5°179.7°
C4N9C8N70.3°0.3°
N9C4C5N70.3°0.2°
N9C4C5C6179.8°180.0°
C4N9C8H2179.7°179.9°
C4N9CBGH24160.8°60.0°
C4N9CBGH2539.8°60.0°
C8N9C4N3179.6°179.7°
C8N9C4C50.4°0.0°
N9C8N7H2180.0°179.6°
N9C8N7C50.1°0.5°
C8N9CBGH2418.9°120.1°
C8N9CBGH25139.9°120.0°
C4N3C2N10.1°0.1°
N3C4C5N7179.6°180.0°
N3C4C5C60.4°0.2°
C4N3C2H1179.9°179.8°
C2N3C4C50.4°0.0°
N3C2N1H1180.0°179.8°
N3C2N1C60.2°0.2°
CAICAKCBHH10120.0°120.1°
CAICAKCBHH11120.0°120.0°
CAICAKCBHCBI83.3°175.0°
CAICAKCBHSAY159.1°71.7°
CAICAKCBHH939.9°51.6°
CAICAKH10H11120.1°120.0°
CAKCAIH12H13119.1°120.0°
CAKCAICAHH1461.9°60.0°
CAKCAICAHH1557.8°60.0°
C4C5N7C80.1°0.4°
C4C5N7C6179.9°179.7°
C4C5C6N10.1°0.4°
C4C5C6N6179.8°180.0°
C8N7C5C6180.0°179.8°
C2N1C6C50.2°0.4°
C2N1C6N6179.8°179.9°
N7C5C6N1180.0°179.9°
N7C5C6N60.1°0.3°
C5N7C8H2179.9°180.0°
C5C6N1N6180.0°179.5°
C5C6N6H26180.0°0.0°
C5C6N6H2760.1°180.0°
CAKCBHCBINAU23.8°28.0°
CAKCBHCBISAY121.3°118.3°
CAKCBHCBIH9123.3°123.4°
CAKCBHCBICBF138.2°142.9°
CAKCBHSAYH9120.8°123.4°
CAKCBHSAYCAO136.5°153.0°
CAKCBHCBIH399.6°93.7°
CBHCAKH10H11120.0°120.0°
CBHCAKCAIH1247.6°60.0°
CBHCAKCAIH1371.8°60.1°
C6N1C2H1179.8°180.0°
N1C6N6H260.0°179.6°
N1C6N6H27120.0°0.5°
CBINAUCBAH4180.0°180.0°
NAUCBICBHCBF114.5°114.9°
NAUCBICBHH3123.3°121.7°
NAUCBICBFH3117.6°118.6°
NAUCBICBHSAY97.5°90.3°
CBINAUCBAOAC176.5°180.0°
CBINAUCBANAT2.7°0.0°
NAUCBICBFNAT8.1°0.0°
NAUCBICBFCAO107.8°118.0°
NAUCBICBFH6127.9°118.2°
NAUCBICBHH9147.0°151.5°
CBANAUCBICBH124.2°120.2°
CBANAUCBICBF3.8°0.0°
NAUCBAOACNAT179.1°179.9°
NAUCBANATCBF8.7°0.0°
CBANAUCBIH3113.0°118.3°
NAUCBANATH5171.3°180.0°
C6N6H26H27120.0°180.0°
CBHCBICBFH3122.3°123.4°
CBICBHSAYH9117.3°118.3°
CBHCBICBFNAT128.3°118.0°
CBHCBICBFCAO12.3°0.0°
CBICBHSAYCAO14.6°34.7°
CBHCBINAUH455.7°59.8°
CBHCBICBFH6112.0°123.8°
CBICBHCAKH1036.7°65.0°
CBICBHCAKH11156.7°55.0°
CBFCBICBHSAY17.0°24.6°
CBICBFNATCBA10.5°0.0°
CBICBFNATCAO119.3°120.2°
CBICBFNATH6118.9°118.1°
CBICBFCAOH6124.2°123.7°
CBICBFCAOSAY1.4°24.6°
CBFCBINAUH4176.2°180.0°
CBICBFNATH5169.5°180.0°
CBICBFCAOH7120.9°93.7°
CBICBFCAOH8118.1°143.1°
CBFCBICBHH998.5°93.6°
CBHSAYCAOCBF8.0°34.6°
SAYCBHCBIH3139.2°148.0°
CBHSAYCAOH7111.5°83.6°
CBHSAYCAOH8127.5°153.0°
SAYCBHCAKH1080.9°48.3°
SAYCBHCAKH1139.1°168.3°
OACCBANATCBF170.5°180.0°
OACCBANAUH43.5°0.0°
OACCBANATH59.5°0.0°
CBANATCBFH5180.0°180.0°
CBANATCBFCAO108.8°120.1°
NATCBANAUH4177.3°180.0°
CBANATCBFH6129.4°118.2°
NATCBFCAOH6122.5°121.5°
NATCBFCAOSAY114.7°90.3°
NATCBFCBIH3109.5°118.5°
NATCBFCAOH7125.9°151.5°
NATCBFCAOH84.9°28.2°
CBFCAOSAYH7119.5°118.2°
CBFCAOSAYH8119.5°118.4°
CAOCBFCBIH3134.6°123.5°
CAOCBFNATH571.2°59.8°
CBFCAOH7H8121.5°123.3°
SAYCAOCBFH6122.8°148.2°
SAYCAOH7H8121.5°123.5°
CAOSAYCBHH9102.7°83.6°
H3CBINAUH467.0°61.7°
H3CBICBFH610.3°0.4°
H3CBICBHH923.7°29.8°
H5NATCBFH650.6°61.8°
H6CBFCAOH73.3°30.0°
H6CBFCAOH8117.7°93.2°
H9CBHCAKH10159.9°171.7°
H9CBHCAKH1180.1°68.4°
H10CAKCAIH12167.6°180.0°
H10CAKCAIH1348.2°60.0°
H11CAKCAIH1272.4°60.1°
H11CAKCAIH13168.2°179.9°
H12CAICAHH14177.7°179.9°
H12CAICAHH1562.5°60.0°
H13CAICAHH1458.3°59.9°
H13CAICAHH15178.1°180.0°
H14CAHCAJH16169.2°180.0°
H14CAHCAJH1749.3°60.0°
H15CAHCAJH1671.1°59.9°
H15CAHCAJH17169.0°179.9°
H19NAWCANH20179.2°105.0°
H19NAWCANH2161.3°135.0°
H20CANCBEH2273.8°64.9°
H20CANCBEH23165.7°175.0°
H21CANCBEH2245.7°55.1°
H21CANCBEH2374.8°65.0°

247536

PDB entries from 2026-01-14

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