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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NAZCBAsing1.34Å1.33ÅAromatic
NAZCAYdoub1.30Å1.33ÅAromatic
CBACBBdoub1.35Å1.33ÅAromatic
CAYNAXsing1.36Å1.33ÅAromatic
CBBNAXsing1.37Å1.34ÅAromatic
NAXCATsing1.39Å1.34Å
CATNASdoub1.33Å1.33ÅAromatic
CATNAUsing1.33Å1.33ÅAromatic
NASCARsing1.33Å1.34ÅAromatic
NAUCAVdoub1.33Å1.35ÅAromatic
NAQCARsing1.38Å1.33Å
NAQCACsing1.40Å1.36Å
CARNAWdoub1.33Å1.33ÅAromatic
CAPCABsing1.51Å1.41Å
CAVNAWsing1.33Å1.34ÅAromatic
CAVNBCsing1.38Å1.33Å
CACCABdoub1.39Å1.40ÅAromatic
CACCADsing1.39Å1.40ÅAromatic
CABCAAsing1.38Å1.40ÅAromatic
CADCAEdoub1.39Å1.40ÅAromatic
NBCCBHsing1.47Å1.48Å
NBCCBDsing1.47Å1.48Å
CBHCBGsing1.53Å1.52Å
CAACAFdoub1.38Å1.40ÅAromatic
CAECAFsing1.40Å1.40ÅAromatic
CAECAGsing1.48Å1.42Å
OAICAGdoub1.21Å1.23Å
CBGCBFsing1.53Å1.52Å
FBMCBJsing1.40Å1.30Å
CBDCBEsing1.53Å1.51Å
CAGNAHsing1.35Å1.36Å
CBECBFsing1.53Å1.51Å
NAHCAJsing1.40Å1.37Å
CAKCAJdoub1.39Å1.40ÅAromatic
CAKCALsing1.38Å1.41ÅAromatic
CBFOBIsing1.43Å1.44Å
CBJFBKsing1.40Å1.31Å
CBJFBLsing1.40Å1.31Å
CBJCALsing1.51Å1.42Å
CAJCAOsing1.39Å1.40ÅAromatic
CALCAMdoub1.38Å1.40ÅAromatic
CAOCANdoub1.38Å1.39ÅAromatic
CAMCANsing1.38Å1.39ÅAromatic
CAAH1sing1.08Å1.08Å
CADH2sing1.08Å1.08Å
CAFH3sing1.08Å1.08Å
CAKH4sing1.08Å1.08Å
CAMH5sing1.08Å1.08Å
CANH6sing1.08Å1.08Å
CAOH7sing1.08Å1.08Å
CAPH8sing1.09Å1.10Å
CAPH9sing1.09Å1.10Å
CAPH10sing1.09Å1.10Å
CAYH11sing1.08Å1.08Å
CBAH12sing1.08Å1.08Å
CBBH13sing1.08Å1.08Å
CBDH14sing1.09Å1.10Å
CBDH15sing1.09Å1.10Å
CBEH16sing1.09Å1.10Å
CBEH17sing1.09Å1.10Å
CBFH18sing1.09Å1.10Å
CBGH19sing1.09Å1.10Å
CBGH20sing1.09Å1.10Å
CBHH21sing1.09Å1.10Å
CBHH22sing1.09Å1.10Å
NAHH23sing0.97Å1.00Å
NAQH24sing0.97Å1.00Å
OBIH25sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBANAZCAY107.7°109.4°
NAZCBACBB108.7°108.2°
NAZCBAH12125.6°125.9°
NAZCAYNAX108.2°108.5°
NAZCAYH11125.9°125.7°
CBACBBNAX107.5°106.9°
CBBCBAH12125.6°125.8°
CBACBBH13126.3°126.6°
CAYNAXCBB107.9°106.9°
CAYNAXCAT125.9°126.5°
NAXCAYH11125.9°125.7°
CBBNAXCAT126.2°126.6°
NAXCBBH13126.3°126.5°
NAXCATNAS119.3°119.9°
NAXCATNAU120.7°120.0°
NASCATNAU120.1°120.1°
CATNASCAR120.0°120.0°
CATNAUCAV119.1°120.0°
NASCARNAQ116.6°120.0°
NASCARNAW121.1°119.9°
NAUCAVNAW121.6°120.0°
NAUCAVNBC120.5°120.1°
CARNAQCAC126.9°120.0°
NAQCARNAW122.3°120.1°
CARNAQH24116.6°120.0°
NAQCACCAB117.9°120.0°
NAQCACCAD122.0°120.0°
CACNAQH24116.6°120.0°
CARNAWCAV118.2°120.0°
CAPCABCAC120.7°119.9°
CAPCABCAA120.8°119.9°
CABCAPH8109.5°109.5°
CABCAPH9109.5°109.5°
CABCAPH10109.5°109.5°
NAWCAVNBC117.9°120.0°
CAVNBCCBH118.9°111.0°
CAVNBCCBD119.8°111.0°
CABCACCAD119.9°120.0°
CACCABCAA118.5°120.2°
CACCADCAE122.1°119.8°
CACCADH2119.0°120.1°
CABCAACAF121.3°120.2°
CABCAAH1119.4°119.9°
CADCAECAF117.6°119.8°
CADCAECAG117.9°120.1°
CAECADH2118.9°120.1°
CBHNBCCBD120.6°111.2°
NBCCBHCBG112.7°109.5°
NBCCBHH21108.6°109.5°
NBCCBHH22108.6°109.5°
NBCCBDCBE112.9°109.5°
NBCCBDH14108.6°109.4°
NBCCBDH15108.6°109.4°
CBHCBGCBF110.3°109.3°
CBHCBGH19109.3°109.5°
CBHCBGH20109.2°109.5°
CBGCBHH21108.7°109.4°
CBGCBHH22108.6°109.5°
CAACAFCAE120.6°120.0°
CAFCAAH1119.3°119.9°
CAACAFH3119.7°120.0°
CAFCAECAG124.4°120.1°
CAECAFH3119.7°120.0°
CAECAGOAI119.3°120.0°
CAECAGNAH117.2°120.0°
OAICAGNAH123.0°120.0°
CBGCBFCBE109.3°109.2°
CBGCBFOBI109.2°109.5°
CBGCBFH18109.7°109.6°
CBFCBGH19109.3°109.5°
CBFCBGH20109.3°109.5°
FBMCBJFBK105.9°109.5°
FBMCBJFBL109.1°109.5°
FBMCBJCAL112.5°109.5°
CBDCBECBF110.5°109.3°
CBECBDH14108.6°109.5°
CBECBDH15108.6°109.5°
CBDCBEH16109.2°109.5°
CBDCBEH17109.2°109.5°
CAGNAHCAJ124.8°120.0°
CAGNAHH23117.6°120.0°
CBECBFOBI108.0°109.6°
CBFCBEH16109.2°109.5°
CBFCBEH17109.2°109.4°
CBECBFH18109.8°109.5°
NAHCAJCAK125.1°120.1°
NAHCAJCAO117.5°120.0°
CAJNAHH23117.6°120.0°
CAJCAKCAL122.1°119.9°
CAKCAJCAO117.2°119.9°
CAJCAKH4119.0°120.0°
CAKCALCBJ120.4°120.0°
CAKCALCAM119.1°120.1°
CALCAKH4118.9°120.0°
OBICBFH18110.8°109.5°
CBFOBIH25109.5°114.0°
FBKCBJFBL106.6°109.4°
FBKCBJCAL111.1°109.5°
FBLCBJCAL111.4°109.5°
CBJCALCAM120.4°119.9°
CAJCAOCAN121.2°119.9°
CAJCAOH7119.4°120.1°
CALCAMCAN119.3°120.1°
CALCAMH5120.3°120.0°
CAOCANCAM121.1°120.1°
CAOCANH6119.5°119.9°
CANCAOH7119.4°120.0°
CANCAMH5120.4°119.9°
CAMCANH6119.4°119.9°
H8CAPH9109.5°109.5°
H8CAPH10109.5°109.4°
H9CAPH10109.4°109.5°
H14CBDH15109.5°109.5°
H16CBEH17109.5°109.6°
H19CBGH20109.5°109.5°
H21CBHH22109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NAZCBACBBH12180.0°179.5°
CBANAZCAYNAX0.5°0.0°
NAZCBACBBNAX0.1°0.4°
CBANAZCAYH11179.4°179.7°
NAZCBACBBH13179.9°179.5°
CAYNAZCBACBB0.3°0.3°
NAZCAYNAXH11180.0°179.7°
NAZCAYNAXCBB0.6°0.3°
NAZCAYNAXCAT179.9°179.7°
CAYNAZCBAH12179.7°179.8°
CBACBBNAXCAY0.4°0.4°
CBACBBNAXH13180.0°180.0°
CBACBBNAXCAT179.7°179.6°
CAYNAXCBBCAT179.3°180.0°
CAYNAXCATNAS3.5°174.8°
CAYNAXCATNAU176.0°5.2°
CAYNAXCBBH13179.6°179.5°
CBBNAXCATNAS175.6°5.2°
CBBNAXCATNAU4.8°174.9°
CBBNAXCAYH11179.4°180.0°
NAXCBBCBAH12179.9°179.9°
NAXCATNASNAU179.6°180.0°
NAXCATNASCAR179.8°180.0°
NAXCATNAUCAV179.2°179.8°
CATNAXCAYH110.1°0.0°
CATNAXCBBH130.3°0.4°
NASCATNAUCAV1.2°0.2°
CATNASCARNAQ179.7°179.8°
CATNASCARNAW0.0°0.1°
NAUCATNASCAR0.7°0.1°
CATNAUCAVNAW1.1°0.5°
CATNAUCAVNBC178.9°180.0°
NASCARNAQNAW179.6°179.8°
NASCARNAQCAC160.3°6.8°
NASCARNAWCAV0.2°0.2°
NASCARNAQH2419.7°173.1°
NAUCAVNAWCAR0.4°0.5°
NAUCAVNAWNBC177.8°179.5°
NAUCAVNBCCBH13.3°179.5°
NAUCAVNBCCBD176.3°56.3°
CARNAQCACH24180.0°179.9°
NAQCARNAWCAV179.8°179.9°
CARNAQCACCAB104.1°155.3°
CARNAQCACCAD80.7°24.7°
CACNAQCARNAW20.0°173.4°
NAQCACCABCAP4.4°0.0°
NAQCACCABCAD175.3°180.0°
NAQCACCABCAA176.8°180.0°
NAQCACCADCAE176.5°180.0°
NAQCACCADH23.5°0.0°
CARNAWCAVNBC178.2°180.0°
NAWCARNAQH24159.9°6.7°
CAPCABCACCAA178.8°179.9°
CAPCABCACCAD179.7°179.9°
CAPCABCAACAF179.7°180.0°
CAPCABCAAH10.3°0.4°
CABCAPH8H9120.0°120.0°
CABCAPH8H10120.0°120.0°
CABCAPH9H10120.0°120.0°
NAWCAVNBCCBH164.6°0.0°
NAWCAVNBCCBD5.8°124.2°
CAVNBCCBHCBD170.3°124.1°
CAVNBCCBHCBG153.6°174.2°
CAVNBCCBDCBE154.0°174.1°
CAVNBCCBDH1485.5°54.1°
CAVNBCCBDH1533.5°65.8°
CAVNBCCBHH2133.1°65.8°
CAVNBCCBHH2285.9°54.2°
CABCACCADCAE1.4°0.0°
CACCABCAACAF1.5°0.1°
CACCABCAAH1178.5°179.7°
CABCACCADH2178.6°180.0°
CACCABCAPH889.4°90.1°
CACCABCAPH9150.6°29.9°
CACCABCAPH1030.6°149.9°
CABCACNAQH2475.9°24.6°
CADCACCABCAA1.5°0.0°
CACCADCAEH2180.0°180.0°
CACCADCAECAF1.2°0.1°
CACCADCAECAG177.4°180.0°
CADCACNAQH2499.3°155.4°
CABCAACAFH1180.0°179.6°
CABCAACAFCAE1.4°0.1°
CABCAACAFH3178.6°179.7°
CAACABCAPH889.4°90.0°
CAACABCAPH930.7°150.0°
CAACABCAPH10150.6°30.0°
CADCAECAFCAA1.2°0.0°
CADCAECAFCAG175.9°179.9°
CADCAECAGOAI0.1°5.3°
CADCAECAGNAH171.9°174.8°
CADCAECAFH3178.8°179.8°
NBCCBHCBGH21120.5°120.0°
NBCCBHCBGH22120.5°120.0°
NBCCBHCBGCBF47.9°59.2°
CBHNBCCBDCBE35.8°61.8°
CBHNBCCBDH1484.7°178.2°
CBHNBCCBDH15156.3°58.3°
NBCCBHCBGH1972.2°179.1°
NBCCBHCBGH20168.1°60.8°
NBCCBHH21H22118.5°120.0°
CBDNBCCBHCBG36.1°61.7°
NBCCBDCBEH14120.5°120.0°
NBCCBDCBEH15120.5°120.0°
NBCCBDCBECBF47.6°59.2°
NBCCBDH14H15118.4°120.0°
NBCCBDCBEH16167.7°179.1°
NBCCBDCBEH1772.6°60.7°
CBDNBCCBHH21156.6°58.2°
CBDNBCCBHH2284.4°178.2°
CBHCBGCBFH19120.1°119.9°
CBHCBGCBFH20120.1°120.0°
CBHCBGCBFCBE62.5°57.6°
CBHCBGCBFOBI179.5°177.6°
CBHCBGCBFH1857.9°62.3°
CBHCBGH19H20119.6°120.1°
CBGCBHH21H22118.5°120.0°
CAACAFCAEH3180.0°179.8°
CAACAFCAECAG177.1°179.9°
CAFCAECAGOAI176.1°174.7°
CAFCAECAGNAH4.0°5.1°
CAECAFCAAH1178.6°179.7°
CAFCAECADH2178.8°180.0°
CAECAGOAINAH171.6°179.9°
CAECAGNAHCAJ172.3°174.8°
CAGCAECADH22.6°0.1°
CAGCAECAFH32.9°0.3°
CAECAGNAHH237.7°5.3°
OAICAGNAHCAJ0.6°5.1°
OAICAGNAHH23179.4°174.8°
CBGCBFCBECBD62.3°57.6°
CBGCBFCBEOBI118.7°120.0°
CBGCBFCBEH18120.4°119.9°
CBGCBFOBIH18120.9°120.2°
CBGCBFCBEH16177.6°177.5°
CBGCBFCBEH1757.8°62.3°
CBFCBGH19H20119.7°120.1°
CBFCBGCBHH21168.5°60.8°
CBFCBGCBHH2272.5°179.2°
CBGCBFOBIH25180.0°60.3°
FBMCBJCALCAK41.8°29.9°
FBMCBJFBKFBL116.1°120.0°
FBMCBJFBKCAL122.4°120.0°
FBMCBJFBLCAL124.8°120.0°
FBMCBJCALCAM139.7°150.0°
CBDCBECBFH16120.1°119.9°
CBDCBECBFH17120.1°119.9°
CBDCBECBFOBI179.0°177.6°
CBECBDH14H15118.4°120.0°
CBDCBEH16H17119.5°120.1°
CBDCBECBFH1858.1°62.3°
CAGNAHCAJH23180.0°179.9°
CAGNAHCAJCAK28.6°151.9°
CAGNAHCAJCAO155.7°27.8°
CBECBFOBIH18120.3°120.1°
CBFCBECBDH1472.9°179.1°
CBFCBECBDH15168.1°60.9°
CBFCBEH16H17119.6°120.0°
CBECBFCBGH1957.6°177.6°
CBECBFCBGH20177.4°62.4°
CBECBFOBIH2561.2°180.0°
NAHCAJCAKCAO175.8°179.8°
NAHCAJCAKCAL178.0°179.7°
NAHCAJCAOCAN178.1°179.8°
NAHCAJCAKH42.0°0.2°
NAHCAJCAOH71.9°0.3°
CAJCAKCALH4180.0°179.9°
CAJCAKCALCBJ177.6°180.0°
CAJCAKCALCAM1.0°0.1°
CAKCAJCAOCAN2.0°0.1°
CAKCAJCAOH7178.0°180.0°
CAKCAJNAHH23151.4°28.0°
CAKCALCBJFBK76.7°90.0°
CAKCALCBJFBL164.7°150.0°
CAKCALCBJCAM178.5°179.9°
CALCAKCAJCAO2.2°0.0°
CAKCALCAMCAN0.5°0.1°
CAKCALCAMH5179.5°179.9°
OBICBFCBEH1658.9°62.5°
OBICBFCBEH1760.9°57.6°
OBICBFCBGH1960.3°62.5°
OBICBFCBGH2059.4°57.6°
FBKCBJFBLCAL121.4°120.0°
FBKCBJCALCAM101.8°90.1°
FBLCBJCALCAM16.8°29.9°
CBJCALCAMCAN179.1°180.0°
CBJCALCAKH42.4°0.0°
CBJCALCAMH50.9°0.0°
CAJCAOCANH7180.0°179.9°
CAJCAOCANCAM0.6°0.1°
CAOCAJCAKH4177.8°180.0°
CAJCAOCANH6179.4°179.9°
CAOCAJNAHH2324.3°152.3°
CALCAMCANCAO0.7°0.0°
CALCAMCANH5180.0°180.0°
CAMCALCAKH4179.0°180.0°
CALCAMCANH6179.3°180.0°
CAOCANCAMH6180.0°180.0°
CAOCANCAMH5179.3°180.0°
CAMCANCAOH7179.4°180.0°
H1CAACAFH31.4°0.1°
H5CAMCANH60.7°0.0°
H6CANCAOH70.6°0.0°
H8CAPH9H10120.0°119.9°
H12CBACBBH130.1°0.1°
H14CBDCBEH1647.2°60.9°
H14CBDCBEH17166.9°59.3°
H15CBDCBEH1671.8°59.1°
H15CBDCBEH1747.9°179.3°
H16CBECBFH1862.1°57.6°
H17CBECBFH18178.2°177.7°
H18CBFCBGH19178.0°57.7°
H18CBFCBGH2062.2°177.7°
H18CBFOBIH2559.1°59.9°
H19CBGCBHH2148.3°59.1°
H19CBGCBHH22167.3°60.9°
H20CBGCBHH2171.4°179.2°
H20CBGCBHH2247.6°59.2°

222624

PDB entries from 2024-07-17

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