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KAW

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CD2CE3doub1.40Å1.40ÅAromatic
CD2CE2sing1.41Å1.41ÅAromatic
CD2CGsing1.46Å1.43ÅAromatic
CE3CZ3sing1.37Å1.38ÅAromatic
CE3HE3sing1.08Å1.08Å
CZ3CH2doub1.39Å1.40ÅAromatic
CZ3HZ3sing1.08Å1.08Å
CH2CZ2sing1.38Å1.37ÅAromatic
CH2HH2sing1.08Å1.08Å
CZ2CE2doub1.39Å1.39ÅAromatic
CZ2HZ2sing1.08Å1.08Å
CE2NE1sing1.38Å1.37ÅAromatic
NE1CD1sing1.37Å1.37ÅAromatic
NE1HNE1sing0.97Å1.00Å
CD1CGdoub1.34Å1.36ÅAromatic
CD1HD1sing1.08Å1.08Å
CGCBsing1.51Å1.50Å
CBCAsing1.53Å1.53Å
CBHBsing1.09Å1.10Å
CBHBAsing1.09Å1.10Å
CACsing1.51Å1.53Å
CANsing1.46Å1.46Å
CAHAsing1.09Å1.10Å
COXTdoub1.21Å1.25Å
COsing1.34Å1.25Å
NCBCsing1.35Å1.33Å
NHNsing0.97Å1.00Å
CBCOAAdoub1.21Å1.23Å
CBCCAVsing1.51Å1.53Å
CAVCAWsing1.53Å1.54Å
CAVHAVsing1.09Å1.10Å
CAVHAVAsing1.09Å1.10Å
CAWCBMsing1.53Å1.53Å
CAWHAWsing1.09Å1.10Å
CAWHAWAsing1.09Å1.10Å
CBMOAEsing1.43Å1.43Å
CBMOAFsing1.43Å1.43Å
CBMCBLsing1.53Å1.53Å
CBLCAXsing1.53Å1.53Å
CBLNBAsing1.46Å1.46Å
CBLHBLsing1.09Å1.10Å
CAXCBFsing1.51Å1.50Å
CAXHAXsing1.09Å1.10Å
CAXHAXAsing1.09Å1.10Å
CBFCAOdoub1.38Å1.39ÅAromatic
CBFCAPsing1.38Å1.38ÅAromatic
CAOCAIsing1.38Å1.38ÅAromatic
CAOHAOsing1.08Å1.08Å
CAICAGdoub1.38Å1.38ÅAromatic
CAIHAIsing1.08Å1.08Å
CAGCAJsing1.38Å1.38ÅAromatic
CAGHAGsing1.08Å1.08Å
CAJCAPdoub1.38Å1.38ÅAromatic
CAJHAJsing1.08Å1.08Å
CAPHAPsing1.08Å1.08Å
NBACBEsing1.35Å1.33Å
NBAHNBAsing0.97Å1.00Å
CBEOACdoub1.22Å1.23Å
CBECBGsing1.48Å1.53Å
CBGCAQdoub1.40Å1.38ÅAromatic
CBGCARsing1.40Å1.38ÅAromatic
CAQCAKsing1.38Å1.38ÅAromatic
CAQHAQsing1.08Å1.08Å
CAKCAHdoub1.38Å1.38ÅAromatic
CAKHAKsing1.08Å1.08Å
CAHCALsing1.38Å1.38ÅAromatic
CAHHAHsing1.08Å1.08Å
CALCARdoub1.38Å1.38ÅAromatic
CALHALsing1.08Å1.08Å
CARHARsing1.08Å1.08Å
OAFH29sing0.97Å0.95Å
OAEH30sing0.97Å0.95Å
OH31sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CE3CD2CE2119.0°119.9°
CE3CD2CG133.8°134.0°
CD2CE3CZ3118.5°119.8°
CD2CE3HE3120.7°120.1°
CE2CD2CG107.2°106.1°
CD2CE2CZ2122.4°119.4°
CD2CE2NE1107.4°107.1°
CD2CGCD1106.4°107.0°
CD2CGCB126.3°126.5°
CZ3CE3HE3120.7°120.1°
CE3CZ3CH2121.2°120.5°
CE3CZ3HZ3119.4°119.7°
CH2CZ3HZ3119.4°119.8°
CZ3CH2CZ2121.7°120.7°
CZ3CH2HH2119.1°119.6°
CZ2CH2HH2119.2°119.7°
CH2CZ2CE2117.2°119.8°
CH2CZ2HZ2121.4°120.1°
CE2CZ2HZ2121.4°120.1°
CZ2CE2NE1130.2°133.5°
CE2NE1CD1109.1°109.8°
CE2NE1HNE1125.5°125.1°
CD1NE1HNE1125.5°125.1°
NE1CD1CG109.9°109.9°
NE1CD1HD1125.0°125.0°
CGCD1HD1125.0°125.0°
CD1CGCB127.3°126.5°
CGCBCA114.2°109.4°
CGCBHB108.0°109.5°
CGCBHBA106.8°109.5°
CACBHB107.9°109.5°
CACBHBA106.9°109.5°
CBCAC110.3°109.4°
CBCAN110.4°109.5°
CBCAHA108.6°109.5°
HBCBHBA113.2°109.5°
CCAN110.6°109.5°
CCAHA108.4°109.5°
CACOXT118.2°119.9°
CACO117.9°120.0°
NCAHA108.4°109.5°
CANCBC120.2°120.0°
CANHN119.9°120.0°
OXTCO123.9°120.0°
COH31109.5°117.0°
CBCNHN119.9°120.0°
NCBCOAA122.3°120.1°
NCBCCAV117.4°120.0°
OAACBCCAV120.3°120.0°
CBCCAVCAW107.8°109.5°
CBCCAVHAV110.0°109.5°
CBCCAVHAVA110.4°109.5°
CAWCAVHAV110.0°109.5°
CAWCAVHAVA110.4°109.5°
CAVCAWCBM110.9°109.5°
CAVCAWHAW109.0°109.5°
CAVCAWHAWA108.7°109.5°
HAVCAVHAVA108.2°109.5°
CBMCAWHAW109.0°109.5°
CBMCAWHAWA108.7°109.5°
CAWCBMOAE110.7°109.5°
CAWCBMOAF108.2°109.5°
CAWCBMCBL110.6°109.5°
HAWCAWHAWA110.6°109.5°
OAECBMOAF108.7°109.4°
OAECBMCBL110.5°109.5°
CBMOAEH30109.5°114.0°
OAFCBMCBL108.1°109.4°
CBMOAFH29109.5°114.0°
CBMCBLCAX112.2°109.4°
CBMCBLNBA112.0°109.5°
CBMCBLHBL105.5°109.5°
CAXCBLNBA108.3°109.5°
CAXCBLHBL109.3°109.5°
CBLCAXCBF112.4°109.4°
CBLCAXHAX108.5°109.5°
CBLCAXHAXA107.9°109.5°
NBACBLHBL109.5°109.5°
CBLNBACBE121.2°120.0°
CBLNBAHNBA119.4°120.0°
CBFCAXHAX108.5°109.4°
CBFCAXHAXA107.8°109.5°
CAXCBFCAO120.7°120.0°
CAXCBFCAP120.8°119.9°
HAXCAXHAXA111.8°109.4°
CAOCBFCAP118.5°120.0°
CBFCAOCAI120.9°120.0°
CBFCAOHAO119.6°120.0°
CBFCAPCAJ121.0°120.0°
CBFCAPHAP119.5°120.0°
CAICAOHAO119.5°120.0°
CAOCAICAG120.0°120.0°
CAOCAIHAI120.0°120.0°
CAGCAIHAI120.0°120.0°
CAICAGCAJ119.6°120.0°
CAICAGHAG120.2°120.0°
CAJCAGHAG120.2°120.0°
CAGCAJCAP120.0°120.0°
CAGCAJHAJ120.0°120.0°
CAPCAJHAJ120.0°120.0°
CAJCAPHAP119.5°120.0°
CBENBAHNBA119.4°120.0°
NBACBEOAC123.4°120.0°
NBACBECBG114.7°120.0°
OACCBECBG121.9°120.0°
CBECBGCAQ120.4°120.1°
CBECBGCAR119.5°120.2°
CAQCBGCAR120.1°119.7°
CBGCAQCAK119.8°119.9°
CBGCAQHAQ120.1°120.0°
CBGCARCAL120.0°119.8°
CBGCARHAR120.0°120.1°
CAKCAQHAQ120.1°120.1°
CAQCAKCAH120.2°120.1°
CAQCAKHAK119.9°119.9°
CAHCAKHAK119.9°119.9°
CAKCAHCAL120.0°120.2°
CAKCAHHAH120.0°119.9°
CALCAHHAH120.0°119.9°
CAHCALCAR120.0°120.2°
CAHCALHAL120.0°119.9°
CARCALHAL120.0°119.9°
CALCARHAR120.0°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CE3CD2CE2CG179.7°179.8°
CD2CE3CZ3HE3180.0°180.0°
CD2CE3CZ3CH20.0°0.0°
CD2CE3CZ3HZ3180.0°179.9°
CE3CD2CE2CZ20.1°0.0°
CE3CD2CE2NE1180.0°180.0°
CE3CD2CGCD1180.0°180.0°
CE3CD2CGCB1.6°0.0°
CE2CD2CE3CZ30.1°0.0°
CE2CD2CE3HE3179.9°180.0°
CD2CE2CZ2CH20.0°0.0°
CD2CE2CZ2NE1179.9°180.0°
CD2CE2CZ2HZ2180.0°180.0°
CD2CE2NE1CD10.1°0.0°
CD2CE2NE1HNE1179.9°180.0°
CE2CD2CGCD10.3°0.3°
CE2CD2CGCB178.1°179.7°
CGCD2CE3CZ3179.7°179.7°
CGCD2CE3HE30.3°0.3°
CGCD2CE2CZ2179.8°179.8°
CGCD2CE2NE10.3°0.2°
CD2CGCD1NE10.3°0.3°
CD2CGCD1CB178.4°180.0°
CD2CGCD1HD1179.7°179.9°
CD2CGCBCA106.6°85.0°
CD2CGCBHB13.4°155.0°
CD2CGCBHBA135.5°35.0°
CE3CZ3CH2HZ3180.0°179.9°
CE3CZ3CH2CZ20.0°0.0°
CE3CZ3CH2HH2180.0°180.0°
HE3CE3CZ3CH2180.0°180.0°
HE3CE3CZ3HZ30.0°0.0°
CZ3CH2CZ2HH2180.0°180.0°
CZ3CH2CZ2CE20.0°0.0°
CZ3CH2CZ2HZ2179.9°180.0°
HZ3CZ3CH2CZ2180.0°180.0°
HZ3CZ3CH2HH20.0°0.1°
CH2CZ2CE2HZ2180.0°180.0°
CH2CZ2CE2NE1179.9°180.0°
HH2CH2CZ2CE2180.0°180.0°
HH2CH2CZ2HZ20.1°0.1°
CZ2CE2NE1CD1179.9°179.9°
CZ2CE2NE1HNE10.1°0.0°
HZ2CZ2CE2NE10.1°0.1°
CE2NE1CD1HNE1180.0°180.0°
CE2NE1CD1CG0.1°0.2°
CE2NE1CD1HD1179.9°180.0°
NE1CD1CGHD1180.0°179.8°
NE1CD1CGCB178.1°179.7°
HNE1NE1CD1CG179.9°179.8°
HNE1NE1CD1HD10.1°0.0°
CD1CGCBCA75.3°94.9°
CD1CGCBHB164.7°25.0°
CD1CGCBHBA42.6°145.1°
HD1CD1CGCB1.9°0.1°
CGCBCAHB120.0°119.9°
CGCBCAHBA117.9°120.0°
CGCBHBHBA118.1°120.0°
CGCBCAC59.3°175.0°
CGCBCAN63.3°65.1°
CGCBCAHA178.0°55.0°
CACBHBHBA118.1°120.1°
CBCACN122.5°120.0°
CBCACHA118.8°120.0°
CBCANHA118.8°120.1°
CBCACOXT75.4°120.0°
CBCACO104.7°60.0°
CBCANCBC164.1°155.0°
CBCANHN15.9°24.9°
HBCBCAC179.3°55.0°
HBCBCAN56.7°175.0°
HBCBCAHA62.0°64.9°
HBACBCAC58.6°65.0°
HBACBCAN178.8°54.9°
HBACBCAHA60.1°175.0°
CCANHA118.8°120.0°
CACOXTO180.0°180.0°
CCANCBC73.5°85.1°
CCANHN106.5°95.0°
CACOH31180.0°180.0°
NCACOXT162.2°0.1°
NCACO17.8°180.0°
CANCBCHN180.0°179.9°
CANCBCOAA0.5°0.0°
CANCBCCAV179.6°180.0°
HACACOXT43.5°120.0°
HACACO136.5°60.0°
HACANCBC45.3°34.9°
HACANHN134.7°145.0°
OXTCOH310.0°0.1°
NCBCOAACAV179.1°180.0°
NCBCCAVCAW166.4°180.0°
NCBCCAVHAV73.6°60.0°
NCBCCAVHAVA45.8°60.0°
HNNCBCOAA179.5°180.0°
HNNCBCCAV0.4°0.0°
OAACBCCAVCAW14.4°0.0°
OAACBCCAVHAV105.6°120.0°
OAACBCCAVHAVA135.1°120.0°
CBCCAVCAWHAV120.0°120.0°
CBCCAVCAWHAVA120.7°120.0°
CBCCAVHAVHAVA120.7°120.0°
CBCCAVCAWCBM99.2°180.0°
CBCCAVCAWHAW20.8°60.0°
CBCCAVCAWHAWA141.4°60.0°
CAWCAVHAVHAVA120.7°120.0°
CAVCAWCBMHAW120.0°120.0°
CAVCAWCBMHAWA119.4°120.0°
CAVCAWHAWHAWA119.5°120.0°
CAVCAWCBMOAE47.4°60.0°
CAVCAWCBMOAF71.6°60.0°
CAVCAWCBMCBL170.2°180.0°
HAVCAVCAWCBM140.8°60.0°
HAVCAVCAWHAW99.2°180.0°
HAVCAVCAWHAWA21.4°60.0°
HAVACAVCAWCBM21.5°60.0°
HAVACAVCAWHAW141.5°60.0°
HAVACAVCAWHAWA97.9°180.0°
CBMCAWHAWHAWA119.4°120.0°
CAWCBMOAEOAF118.7°120.0°
CAWCBMOAECBL122.9°120.0°
CAWCBMOAFCBL119.8°120.0°
CAWCBMCBLCAX57.4°65.0°
CAWCBMCBLNBA179.5°175.0°
CAWCBMCBLHBL61.4°55.0°
CAWCBMOAFH29106.4°59.9°
CAWCBMOAEH3021.8°60.0°
HAWCAWCBMOAE72.5°180.0°
HAWCAWCBMOAF168.4°60.0°
HAWCAWCBMCBL50.2°60.0°
HAWACAWCBMOAE166.8°60.0°
HAWACAWCBMOAF47.8°180.0°
HAWACAWCBMCBL70.4°60.0°
OAECBMOAFCBL119.9°120.0°
OAECBMCBLCAX65.5°175.0°
OAECBMCBLNBA56.6°55.0°
OAECBMCBLHBL175.6°65.1°
OAECBMOAFH29133.3°180.0°
OAFCBMCBLCAX175.7°55.0°
OAFCBMCBLNBA62.3°65.0°
OAFCBMCBLHBL56.8°175.0°
OAFCBMOAEH3096.9°180.0°
CBMCBLCAXNBA124.1°120.0°
CBMCBLCAXHBL116.6°120.0°
CBMCBLNBAHBL116.6°120.0°
CBMCBLCAXCBF176.5°175.0°
CBMCBLCAXHAX63.5°65.0°
CBMCBLCAXHAXA57.8°55.0°
CBMCBLNBACBE93.7°155.0°
CBMCBLNBAHNBA86.3°25.0°
CBLCBMOAFH2913.3°60.1°
CBLCBMOAEH30144.7°60.0°
CAXCBLNBAHBL119.1°120.0°
CBLCAXCBFHAX120.0°120.0°
CBLCAXCBFHAXA118.7°120.0°
CBLCAXHAXHAXA118.8°120.0°
CBLCAXCBFCAO91.9°90.0°
CBLCAXCBFCAP87.1°90.3°
CAXCBLNBACBE142.1°85.0°
CAXCBLNBAHNBA37.9°95.0°
NBACBLCAXCBF59.4°65.0°
NBACBLCAXHAX60.6°55.0°
NBACBLCAXHAXA178.1°174.9°
CBLNBACBEHNBA180.0°180.0°
CBLNBACBEOAC3.2°0.1°
CBLNBACBECBG179.5°180.0°
HBLCBLCAXCBF59.9°55.1°
HBLCBLCAXHAX179.9°175.0°
HBLCBLCAXHAXA58.8°65.0°
HBLCBLNBACBE23.0°35.0°
HBLCBLNBAHNBA157.0°145.0°
CBFCAXHAXHAXA118.8°120.1°
CAXCBFCAOCAP179.0°179.7°
CAXCBFCAOCAI179.2°180.0°
CAXCBFCAOHAO0.8°0.1°
CAXCBFCAPCAJ179.2°179.8°
CAXCBFCAPHAP0.8°0.0°
HAXCAXCBFCAO148.1°30.0°
HAXCAXCBFCAP32.9°149.7°
HAXACAXCBFCAO26.8°150.0°
HAXACAXCBFCAP154.2°29.7°
CBFCAOCAIHAO180.0°179.9°
CBFCAOCAICAG0.1°0.1°
CBFCAOCAIHAI179.9°180.0°
CAOCBFCAPCAJ0.1°0.5°
CAOCBFCAPHAP179.9°179.7°
CAPCBFCAOCAI0.1°0.3°
CAPCBFCAOHAO179.8°179.8°
CBFCAPCAJCAG0.1°0.4°
CBFCAPCAJHAP180.0°179.9°
CBFCAPCAJHAJ179.9°179.7°
CAOCAICAGHAI180.0°179.9°
CAOCAICAGCAJ0.0°0.0°
CAOCAICAGHAG180.0°180.0°
HAOCAOCAICAG179.9°180.0°
HAOCAOCAIHAI0.1°0.1°
CAICAGCAJHAG180.0°180.0°
CAICAGCAJCAP0.0°0.2°
CAICAGCAJHAJ180.0°180.0°
HAICAICAGCAJ180.0°180.0°
HAICAICAGHAG0.0°0.0°
CAGCAJCAPHAJ180.0°179.9°
CAGCAJCAPHAP179.9°179.7°
HAGCAGCAJCAP180.0°179.8°
HAGCAGCAJHAJ0.0°0.0°
HAJCAJCAPHAP0.1°0.1°
NBACBEOACCBG177.2°179.9°
NBACBECBGCAQ161.8°180.0°
NBACBECBGCAR18.8°0.3°
HNBANBACBEOAC176.8°179.9°
HNBANBACBECBG0.6°0.0°
OACCBECBGCAQ20.8°0.1°
OACCBECBGCAR158.6°179.7°
CBECBGCAQCAR179.4°179.6°
CBECBGCAQCAK179.3°180.0°
CBECBGCAQHAQ0.7°0.1°
CBECBGCARCAL179.2°179.8°
CBECBGCARHAR0.8°0.0°
CBGCAQCAKHAQ180.0°179.9°
CBGCAQCAKCAH0.0°0.0°
CBGCAQCAKHAK180.0°179.9°
CAQCBGCARCAL0.3°0.6°
CAQCBGCARHAR179.7°179.7°
CARCBGCAQCAK0.2°0.3°
CARCBGCAQHAQ179.8°179.8°
CBGCARCALCAH0.2°0.5°
CBGCARCALHAR180.0°179.8°
CBGCARCALHAL179.8°179.7°
CAQCAKCAHHAK180.0°179.9°
CAQCAKCAHCAL0.1°0.1°
CAQCAKCAHHAH179.9°180.0°
HAQCAQCAKCAH180.0°179.9°
HAQCAQCAKHAK0.0°0.0°
CAKCAHCALHAH180.0°179.9°
CAKCAHCALCARNaN°0.2°
CAKCAHCALHAL180.0°180.0°
HAKCAKCAHCAL179.9°180.0°
HAKCAKCAHHAH0.1°0.1°
CAHCALCARHAL180.0°179.8°
CAHCALCARHAR179.8°179.7°
HAHCAHCALCAR180.0°179.8°
HAHCAHCALHAL0.0°0.1°
HALCALCARHAR0.2°0.1°

222624

PDB entries from 2024-07-17

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