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HMW

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NAZCBAsing1.34Å1.33ÅAromatic
NAZCAYdoub1.30Å1.33ÅAromatic
CBACBBdoub1.35Å1.33ÅAromatic
CAYNAXsing1.36Å1.33ÅAromatic
CBBNAXsing1.37Å1.33ÅAromatic
NAXCATsing1.39Å1.34Å
CATNASdoub1.33Å1.34ÅAromatic
CATNAUsing1.33Å1.34ÅAromatic
NASCARsing1.33Å1.34ÅAromatic
NAUCAVdoub1.33Å1.35ÅAromatic
NAQCARsing1.38Å1.33Å
NAQCACsing1.40Å1.35Å
CARNAWdoub1.33Å1.33ÅAromatic
CAPCABsing1.51Å1.41Å
CACCABdoub1.39Å1.40ÅAromatic
CACCADsing1.39Å1.39ÅAromatic
CAVNAWsing1.33Å1.35ÅAromatic
CAVNBCsing1.38Å1.32Å
CABCAAsing1.38Å1.40ÅAromatic
CADCAEdoub1.40Å1.40ÅAromatic
NBCCBDsing1.49Å1.49Å
NBCCBGsing1.49Å1.49Å
CBDCBEsing1.54Å1.51Å
CAACAFdoub1.38Å1.40ÅAromatic
CAECAFsing1.40Å1.40ÅAromatic
CAECAGsing1.48Å1.41Å
OAICAGdoub1.22Å1.23Å
FBKCBIsing1.40Å1.31Å
CBGCBFsing1.54Å1.51Å
CAGNAHsing1.35Å1.36Å
CBECBFsing1.54Å1.51Å
CBFOBHsing1.43Å1.43Å
NAHCAJsing1.40Å1.37Å
CAKCAJdoub1.39Å1.40ÅAromatic
CAKCALsing1.38Å1.40ÅAromatic
CBIFBJsing1.40Å1.32Å
CBIFBLsing1.40Å1.36Å
CBICALsing1.51Å1.42Å
CAJCAOsing1.39Å1.39ÅAromatic
CALCAMdoub1.38Å1.39ÅAromatic
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
NAHH21sing0.97Å1.00Å
NAQH22sing0.97Å1.00Å
OBHH23sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBANAZCAY107.3°109.4°
NAZCBACBB108.5°108.3°
NAZCBAH12125.8°125.8°
NAZCAYNAX108.7°108.5°
NAZCAYH11125.7°125.7°
CBACBBNAX107.9°106.8°
CBBCBAH12125.7°125.9°
CBACBBH13126.0°126.6°
CAYNAXCBB107.6°107.0°
CAYNAXCAT125.0°126.5°
NAXCAYH11125.7°125.8°
CBBNAXCAT127.3°126.5°
NAXCBBH13126.1°126.6°
NAXCATNAS119.0°120.0°
NAXCATNAU122.1°120.0°
NASCATNAU118.8°120.0°
CATNASCAR121.7°120.0°
CATNAUCAV119.4°120.0°
NASCARNAQ116.4°120.0°
NASCARNAW119.9°120.0°
NAUCAVNAW121.9°120.0°
NAUCAVNBC119.8°120.0°
CARNAQCAC126.2°120.0°
NAQCARNAW123.7°120.0°
CARNAQH22116.9°120.0°
NAQCACCAB118.0°120.0°
NAQCACCAD121.8°120.0°
CACNAQH22116.9°120.0°
CARNAWCAV118.3°119.9°
CAPCABCAC120.8°119.9°
CAPCABCAA120.4°119.9°
CABCAPH8109.5°109.5°
CABCAPH9109.5°109.5°
CABCAPH10109.4°109.5°
CABCACCAD120.0°120.0°
CACCABCAA118.8°120.3°
CACCADCAE121.5°119.7°
CACCADH2119.3°120.1°
NAWCAVNBC118.3°120.0°
CAVNBCCBD127.0°111.0°
CAVNBCCBG124.5°111.0°
CABCAACAF120.9°120.2°
CABCAAH1119.5°119.9°
CADCAECAF118.6°119.8°
CADCAECAG118.2°120.1°
CAECADH2119.3°120.2°
CBDNBCCBG108.5°104.2°
NBCCBDCBE101.5°104.6°
NBCCBDH14111.4°110.4°
NBCCBDH15111.4°110.5°
NBCCBGCBF101.2°104.6°
NBCCBGH19111.5°110.4°
NBCCBGH20111.5°110.5°
CBDCBECBF98.3°105.1°
CBECBDH14111.4°110.4°
CBECBDH15111.4°110.4°
CBDCBEH16112.2°110.3°
CBDCBEH17112.2°110.3°
CAACAFCAE120.2°120.0°
CAFCAAH1119.5°119.9°
CAACAFH3119.9°120.0°
CAFCAECAG123.1°120.1°
CAECAFH3119.9°120.0°
CAECAGOAI118.9°120.0°
CAECAGNAH117.0°120.0°
OAICAGNAH123.9°120.0°
FBKCBIFBJ107.9°109.4°
FBKCBIFBL109.1°109.5°
FBKCBICAL111.3°109.5°
CBGCBFCBE99.8°105.0°
CBGCBFOBH110.4°110.3°
CBGCBFH18111.2°110.4°
CBFCBGH19111.5°110.4°
CBFCBGH20111.5°110.4°
CAGNAHCAJ123.8°120.0°
CAGNAHH21118.1°120.0°
CBECBFOBH110.8°110.3°
CBFCBEH16112.2°110.3°
CBFCBEH17112.2°110.3°
CBECBFH18111.3°110.3°
OBHCBFH18112.6°110.3°
CBFOBHH23109.5°114.0°
NAHCAJCAK124.1°120.1°
NAHCAJCAO118.2°120.0°
CAJNAHH21118.1°120.0°
CAJCAKCAL121.9°120.0°
CAKCAJCAO117.6°119.8°
CAJCAKH4119.0°120.0°
CAKCALCBI121.6°120.0°
CAKCALCAM118.9°120.1°
CALCAKH4119.1°120.0°
FBJCBIFBL107.8°109.5°
FBJCBICAL109.8°109.4°
FBLCBICAL110.9°109.5°
CBICALCAM119.5°119.9°
CAJCAOCAN121.3°119.9°
CAJCAOH7119.4°120.0°
CALCAMCAN120.0°120.2°
CALCAMH5120.0°119.9°
CAOCANCAM120.3°120.0°
CAOCANH6119.9°120.0°
CANCAOH7119.4°120.0°
CANCAMH5120.0°119.9°
CAMCANH6119.8°120.0°
H8CAPH9109.5°109.4°
H8CAPH10109.4°109.5°
H9CAPH10109.5°109.4°
H14CBDH15109.5°110.4°
H16CBEH17109.5°110.4°
H19CBGH20109.5°110.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NAZCBACBBH12180.0°179.6°
CBANAZCAYNAX0.3°0.1°
NAZCBACBBNAX0.2°0.4°
CBANAZCAYH11179.7°179.7°
NAZCBACBBH13179.8°179.6°
CAYNAZCBACBB0.0°0.2°
NAZCAYNAXH11180.0°179.7°
NAZCAYNAXCBB0.4°0.3°
NAZCAYNAXCAT179.7°179.8°
CAYNAZCBAH12180.0°179.8°
CBACBBNAXCAY0.4°0.4°
CBACBBNAXH13180.0°180.0°
CBACBBNAXCAT179.7°179.6°
CAYNAXCBBCAT179.3°179.9°
CAYNAXCATNAS3.6°174.8°
CAYNAXCATNAU176.6°5.2°
CAYNAXCBBH13179.6°179.5°
CBBNAXCATNAS175.5°5.1°
CBBNAXCATNAU4.3°174.8°
CBBNAXCAYH11179.6°180.0°
NAXCBBCBAH12179.7°180.0°
NAXCATNASNAU179.8°179.9°
NAXCATNASCAR179.9°180.0°
NAXCATNAUCAV179.5°179.8°
CATNAXCAYH110.3°0.1°
CATNAXCBBH130.4°0.4°
NASCATNAUCAV0.3°0.3°
CATNASCARNAQ179.1°179.7°
CATNASCARNAW0.3°0.0°
NAUCATNASCAR0.1°0.0°
CATNAUCAVNAW0.4°0.6°
CATNAUCAVNBC179.7°180.0°
NASCARNAQNAW178.7°179.7°
NASCARNAQCAC162.5°6.9°
NASCARNAWCAV0.2°0.3°
NASCARNAQH2217.5°173.2°
NAUCAVNAWCAR0.1°0.6°
NAUCAVNAWNBC179.3°179.5°
NAUCAVNBCCBD4.0°59.4°
NAUCAVNBCCBG178.0°174.8°
CARNAQCACH22180.0°179.9°
CARNAQCACCAB103.2°155.3°
CARNAQCACCAD82.2°24.7°
NAQCARNAWCAV178.9°180.0°
CACNAQCARNAW18.8°173.4°
NAQCACCABCAP4.3°0.1°
NAQCACCABCAD174.7°180.0°
NAQCACCABCAA177.4°180.0°
NAQCACCADCAE177.3°179.9°
NAQCACCADH22.8°0.0°
CARNAWCAVNBC179.5°179.9°
NAWCARNAQH22161.2°6.5°
CAPCABCACCAA178.3°179.9°
CAPCABCACCAD179.0°180.0°
CAPCABCAACAF179.9°180.0°
CAPCABCAAH10.1°0.2°
CABCAPH8H9120.0°120.0°
CABCAPH8H10120.0°120.1°
CABCAPH9H10120.0°120.0°
CABCACCADCAE2.8°0.0°
CACCABCAACAF1.8°0.1°
CACCABCAAH1178.2°179.7°
CABCACCADH2177.2°180.0°
CACCABCAPH889.1°90.0°
CACCABCAPH9150.9°30.0°
CACCABCAPH1030.9°149.9°
CABCACNAQH2276.8°24.8°
CADCACCABCAA2.7°0.0°
CACCADCAEH2180.0°179.9°
CACCADCAECAF1.8°0.1°
CACCADCAECAG179.1°180.0°
CADCACNAQH2297.8°155.3°
NAWCAVNBCCBD175.4°120.1°
NAWCAVNBCCBG2.6°4.7°
CAVNBCCBDCBG178.3°119.6°
CAVNBCCBDCBE159.6°159.1°
CAVNBCCBGCBF166.6°159.0°
CAVNBCCBDH1481.7°40.3°
CAVNBCCBDH1541.0°82.1°
CAVNBCCBGH1974.7°82.2°
CAVNBCCBGH2048.0°40.2°
CABCAACAFH1180.0°179.8°
CABCAACAFCAE0.9°0.1°
CABCAACAFH3179.1°179.8°
CAACABCAPH889.1°90.0°
CAACABCAPH930.9°150.0°
CAACABCAPH10150.9°30.1°
CADCAECAFCAA0.9°0.0°
CADCAECAFCAG177.2°180.0°
CADCAECAGOAI6.6°5.2°
CADCAECAGNAH167.2°174.8°
CADCAECAFH3179.1°179.7°
NBCCBDCBEH14118.7°118.8°
NBCCBDCBEH15118.7°118.9°
CBDNBCCBGCBF15.0°39.5°
NBCCBDCBECBF44.7°23.9°
NBCCBDH14H15123.7°122.5°
NBCCBDCBEH16162.9°95.1°
NBCCBDCBEH1773.4°142.8°
CBDNBCCBGH19103.6°158.3°
CBDNBCCBGH20133.7°79.3°
CBGNBCCBDCBE18.6°39.5°
NBCCBGCBFH19118.6°118.8°
NBCCBGCBFH20118.7°118.9°
NBCCBGCBFCBE43.1°23.9°
NBCCBGCBFOBH159.7°142.8°
CBGNBCCBDH14100.1°79.3°
CBGNBCCBDH15137.3°158.3°
NBCCBGCBFH1874.5°95.1°
NBCCBGH19H20123.9°122.5°
CBDCBECBFCBG54.9°0.0°
CBDCBECBFH16118.1°118.9°
CBDCBECBFH17118.1°118.9°
CBDCBECBFOBH171.2°118.9°
CBECBDH14H15123.7°122.3°
CBDCBEH16H17125.2°122.1°
CBDCBECBFH1862.7°119.0°
CAACAFCAEH3180.0°179.7°
CAACAFCAECAG178.1°179.9°
CAFCAECAGOAI176.2°174.8°
CAFCAECAGNAH10.0°5.2°
CAECAFCAAH1179.1°179.8°
CAFCAECADH2178.2°180.0°
CAECAGOAINAH173.4°179.9°
CAECAGNAHCAJ174.3°174.8°
CAGCAECADH20.9°0.1°
CAGCAECAFH31.9°0.3°
CAECAGNAHH215.7°5.2°
OAICAGNAHCAJ0.7°5.2°
OAICAGNAHH21179.2°174.7°
FBKCBICALCAK35.1°150.0°
FBKCBIFBJFBL117.7°120.0°
FBKCBIFBJCAL121.4°120.0°
FBKCBIFBLCAL122.9°120.1°
FBKCBICALCAM146.2°29.9°
CBGCBFCBEOBH116.4°118.9°
CBGCBFCBEH18117.5°118.9°
CBGCBFOBHH18125.0°122.2°
CBGCBFCBEH16173.0°118.9°
CBGCBFCBEH1763.3°118.9°
CBFCBGH19H20123.9°122.3°
CBGCBFOBHH23180.0°64.4°
CAGNAHCAJH21180.0°180.0°
CAGNAHCAJCAK34.8°152.0°
CAGNAHCAJCAO149.1°27.8°
CBECBFOBHH18125.4°122.1°
CBFCBECBDH1474.0°94.9°
CBFCBECBDH15163.4°142.8°
CBFCBEH16H17125.2°122.2°
CBECBFCBGH1975.6°142.6°
CBECBFCBGH20161.7°95.1°
CBECBFOBHH2370.4°180.0°
OBHCBFCBEH1670.7°122.2°
OBHCBFCBEH1753.1°0.0°
OBHCBFCBGH1941.1°98.5°
OBHCBFCBGH2081.6°23.8°
NAHCAJCAKCAO176.1°179.7°
NAHCAJCAKCAL178.4°179.7°
NAHCAJCAOCAN178.6°179.8°
NAHCAJCAKH41.6°0.3°
NAHCAJCAOH71.4°0.3°
CAJCAKCALH4180.0°180.0°
CAJCAKCALCBI177.6°180.0°
CAJCAKCALCAM1.1°0.1°
CAKCAJCAOCAN2.3°0.0°
CAKCAJCAOH7177.7°180.0°
CAKCAJNAHH21145.1°28.0°
CAKCALCBIFBJ84.3°90.0°
CAKCALCBIFBL156.7°29.9°
CAKCALCBICAM178.8°179.9°
CALCAKCAJCAO2.3°0.0°
CAKCALCAMCAN0.1°0.0°
CAKCALCAMH5179.9°180.0°
FBJCBIFBLCAL120.2°120.0°
FBJCBICALCAM94.5°90.1°
FBLCBICALCAM24.5°150.0°
CBICALCAMCAN178.9°180.0°
CBICALCAKH42.3°0.0°
CBICALCAMH51.1°0.1°
CAJCAOCANH7180.0°180.0°
CAJCAOCANCAM1.1°0.0°
CAOCAJCAKH4177.7°180.0°
CAJCAOCANH6178.9°180.0°
CAOCAJNAHH2131.0°152.3°
CALCAMCANCAO0.1°0.0°
CALCAMCANH5180.0°180.0°
CAMCALCAKH4178.9°180.0°
CALCAMCANH6179.9°180.0°
CAOCANCAMH6180.0°180.0°
CAOCANCAMH5179.9°180.0°
CAMCANCAOH7178.9°180.0°
H1CAACAFH30.9°0.1°
H5CAMCANH60.1°0.0°
H6CANCAOH71.1°0.0°
H8CAPH9H10120.0°120.0°
H12CBACBBH130.2°0.0°
H14CBDCBEH1644.2°146.2°
H14CBDCBEH17167.9°24.0°
H15CBDCBEH1678.4°23.8°
H15CBDCBEH1745.3°98.3°
H16CBECBFH1855.5°0.0°
H17CBECBFH18179.2°122.2°
H18CBFCBGH19166.8°23.7°
H18CBFCBGH2044.1°146.0°
H18CBFOBHH2355.1°57.8°

222624

PDB entries from 2024-07-17

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