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EXE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NARCAOdoub1.29Å1.33ÅAromatic
NARCAYsing1.31Å1.36ÅAromatic
CAOSAUsing1.71Å1.64ÅAromatic
CABCAYsing1.51Å1.53Å
CAYCBBdoub1.35Å1.36ÅAromatic
SAUCBBsing1.76Å1.71ÅAromatic
CBBCBAsing1.48Å1.36Å
CBACANdoub1.40Å1.41ÅAromatic
CBACAMsing1.40Å1.40ÅAromatic
CANCALsing1.38Å1.40ÅAromatic
CAMCAKdoub1.38Å1.41ÅAromatic
CALCAZdoub1.38Å1.41ÅAromatic
CAKCAZsing1.38Å1.41ÅAromatic
CAZCAPsing1.51Å1.45Å
CAPNASsing1.46Å1.48Å
NASCAWsing1.35Å1.37Å
FAJCBDsing1.40Å1.39Å
CBDCBFsing1.54Å1.57Å
CBDCBCsing1.55Å1.49Å
CAWOAGdoub1.21Å1.23Å
CAWCBFsing1.51Å1.39Å
CBFNBGsing1.47Å1.50Å
CBCOAIsing1.43Å1.42Å
CBCCAQsing1.55Å1.55Å
NBGCAQsing1.47Å1.51Å
NBGCsing1.35Å1.36Å
OCdoub1.21Å1.23Å
CCAsing1.51Å1.55Å
CG1CBsing1.53Å1.55Å
CACBsing1.53Å1.55Å
CANsing1.46Å1.47Å
CAECBsing1.53Å1.55Å
CBCG2sing1.53Å1.54Å
NCAVsing1.35Å1.34Å
CAVOAFdoub1.21Å1.23Å
CAVCAAsing1.51Å1.54Å
CAAH1sing1.09Å1.10Å
CAAH2sing1.09Å1.10Å
CAAH3sing1.09Å1.10Å
NH4sing0.97Å1.00Å
CAH5sing1.09Å1.10Å
CG1H6sing1.09Å1.10Å
CG1H7sing1.09Å1.10Å
CG1H8sing1.09Å1.10Å
CAEH9sing1.09Å1.10Å
CAEH10sing1.09Å1.10Å
CAEH11sing1.09Å1.10Å
CG2H12sing1.09Å1.10Å
CG2H13sing1.09Å1.10Å
CG2H14sing1.09Å1.10Å
CAQH15sing1.09Å1.10Å
CAQH16sing1.09Å1.10Å
CBCH17sing1.09Å1.10Å
OAIH18sing0.97Å0.95Å
CBDH19sing1.09Å1.10Å
CBFH20sing1.09Å1.10Å
NASH21sing0.97Å1.00Å
CAPH22sing1.09Å1.10Å
CAPH23sing1.09Å1.10Å
CALH24sing1.08Å1.08Å
CANH25sing1.08Å1.08Å
CAKH26sing1.08Å1.08Å
CAMH27sing1.08Å1.08Å
CAOH28sing1.08Å1.08Å
CABH29sing1.09Å1.10Å
CABH30sing1.09Å1.10Å
CABH31sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAONARCAY114.5°117.3°
NARCAOSAU108.6°110.4°
NARCAOH28125.7°124.8°
NARCAYCAB118.2°122.9°
NARCAYCBB116.1°114.2°
CAOSAUCBB96.5°90.3°
SAUCAOH28125.7°124.8°
CABCAYCBB125.7°122.9°
CAYCABH29109.5°109.5°
CAYCABH30109.5°109.4°
CAYCABH31109.5°109.5°
CAYCBBSAU104.4°107.8°
CAYCBBCBA130.5°126.1°
SAUCBBCBA125.1°126.1°
CBBCBACAN122.6°120.1°
CBBCBACAM121.1°120.1°
CANCBACAM116.2°119.7°
CBACANCAL121.5°119.9°
CBACANH25119.2°120.0°
CBACAMCAK122.8°119.9°
CBACAMH27118.6°120.1°
CANCALCAZ122.0°120.1°
CANCALH24119.0°119.9°
CALCANH25119.2°120.1°
CAMCAKCAZ120.6°120.1°
CAMCAKH26119.7°119.9°
CAKCAMH27118.6°120.1°
CALCAZCAK116.8°120.3°
CALCAZCAP119.0°119.9°
CAZCALH24119.0°120.0°
CAKCAZCAP124.2°119.8°
CAZCAKH26119.7°120.0°
CAZCAPNAS111.9°109.5°
CAZCAPH22108.8°109.4°
CAZCAPH23108.9°109.5°
CAPNASCAW119.9°120.0°
CAPNASH21120.0°120.0°
NASCAPH22108.9°109.5°
NASCAPH23108.9°109.5°
NASCAWOAG124.6°120.0°
NASCAWCBF116.9°120.0°
CAWNASH21120.0°120.0°
FAJCBDCBF109.6°110.8°
FAJCBDCBC106.0°110.4°
FAJCBDH19113.0°110.8°
CBFCBDCBC106.5°103.0°
CBDCBFCAW108.2°109.9°
CBDCBFNBG104.5°107.3°
CBFCBDH19110.3°110.7°
CBDCBFH20109.4°109.9°
CBDCBCOAI111.0°111.0°
CBDCBCCAQ101.9°101.6°
CBDCBCH17110.7°111.1°
CBCCBDH19111.3°111.0°
OAGCAWCBF118.0°120.0°
CAWCBFNBG112.1°110.1°
CAWCBFH20112.0°110.0°
CBFNBGCAQ108.2°108.7°
CBFNBGC120.8°125.7°
NBGCBFH20110.3°109.6°
OAICBCCAQ111.3°111.0°
OAICBCH17111.7°110.8°
CBCOAIH18109.5°114.1°
CBCCAQNBG105.3°104.8°
CBCCAQH15110.5°110.4°
CBCCAQH16110.5°110.5°
CAQCBCH17109.9°111.0°
CAQNBGC131.0°125.6°
NBGCAQH15110.5°110.3°
NBGCAQH16110.5°110.4°
NBGCO122.5°120.0°
NBGCCA119.2°120.0°
OCCA118.1°120.0°
CCACB112.5°109.5°
CCAN105.3°109.5°
CCAH5109.1°109.5°
CG1CBCA109.7°109.5°
CG1CBCAE107.9°109.5°
CG1CBCG2111.1°109.5°
CBCG1H6109.5°109.4°
CBCG1H7109.5°109.4°
CBCG1H8109.5°109.5°
CBCAN110.4°109.5°
CACBCAE113.8°109.5°
CACBCG2107.1°109.5°
CBCAH5109.2°109.4°
CANCAV125.1°120.1°
CANH4117.5°120.0°
NCAH5110.2°109.5°
CAECBCG2107.2°109.5°
CBCAEH9109.5°109.5°
CBCAEH10109.5°109.4°
CBCAEH11109.5°109.4°
CBCG2H12109.5°109.4°
CBCG2H13109.5°109.5°
CBCG2H14109.4°109.5°
NCAVOAF125.2°120.0°
NCAVCAA114.4°120.0°
CAVNH4117.4°120.0°
OAFCAVCAA120.4°120.0°
CAVCAAH1109.5°109.5°
CAVCAAH2109.5°109.5°
CAVCAAH3109.5°109.5°
H1CAAH2109.5°109.5°
H1CAAH3109.4°109.5°
H2CAAH3109.5°109.5°
H6CG1H7109.4°109.5°
H6CG1H8109.4°109.5°
H7CG1H8109.5°109.5°
H9CAEH10109.5°109.5°
H9CAEH11109.4°109.5°
H10CAEH11109.5°109.5°
H12CG2H13109.5°109.5°
H12CG2H14109.5°109.5°
H13CG2H14109.5°109.5°
H15CAQH16109.5°110.3°
H22CAPH23109.5°109.5°
H29CABH30109.5°109.5°
H29CABH31109.4°109.5°
H30CABH31109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NARCAOSAUH28180.0°180.0°
CAONARCAYCAB179.6°180.0°
CAONARCAYCBB0.2°0.5°
NARCAOSAUCBB0.2°0.0°
CAYNARCAOSAU0.1°0.3°
NARCAYCABCBB179.3°179.4°
NARCAYCBBSAU0.3°0.5°
NARCAYCBBCBA177.2°179.8°
CAYNARCAOH28179.9°179.7°
NARCAYCABH290.0°95.3°
NARCAYCABH30120.0°144.7°
NARCAYCABH31120.0°24.8°
CAOSAUCBBCAY0.3°0.3°
CAOSAUCBBCBA177.4°180.0°
CABCAYCBBSAU179.7°180.0°
CABCAYCBBCBA2.1°0.3°
CAYCABH29H30120.0°119.9°
CAYCABH29H31120.0°120.1°
CAYCABH30H31120.0°120.0°
CAYCBBSAUCBA177.7°179.7°
CAYCBBCBACAN35.6°133.3°
CAYCBBCBACAM147.7°47.0°
CBBCAYCABH29179.3°85.3°
CBBCAYCABH3059.3°34.7°
CBBCAYCABH3160.7°154.7°
SAUCBBCBACAN141.5°47.1°
SAUCBBCBACAM35.3°132.7°
CBBSAUCAOH28179.8°180.0°
CBBCBACANCAM176.9°179.8°
CBBCBACANCAL178.7°180.0°
CBBCBACAMCAK178.3°179.9°
CBBCBACANH251.2°0.0°
CBBCBACAMH271.8°0.0°
CBACANCALH25180.0°180.0°
CANCBACAMCAK1.3°0.3°
CBACANCALCAZ0.9°0.1°
CBACANCALH24179.2°180.0°
CANCBACAMH27178.7°179.8°
CAMCBACANCAL1.8°0.2°
CBACAMCAKH27180.0°179.9°
CBACAMCAKCAZ0.2°0.1°
CAMCBACANH25178.1°179.8°
CBACAMCAKH26179.8°180.0°
CANCALCAZH24180.0°179.9°
CANCALCAZCAK0.7°0.3°
CANCALCAZCAP179.5°180.0°
CAMCAKCAZCAL1.3°0.2°
CAMCAKCAZH26180.0°180.0°
CAMCAKCAZCAP179.9°180.0°
CALCAZCAKCAP178.6°179.7°
CALCAZCAPNAS175.7°90.0°
CALCAZCAPH2264.0°29.9°
CALCAZCAPH2355.3°149.9°
CAZCALCANH25179.1°179.9°
CALCAZCAKH26178.7°179.7°
CAKCAZCAPNAS2.9°90.3°
CAKCAZCAPH22117.4°149.8°
CAKCAZCAPH23123.3°29.8°
CAKCAZCALH24179.3°179.8°
CAZCAKCAMH27179.7°180.0°
CAZCAPNASH22120.3°119.9°
CAZCAPNASH23120.4°120.1°
CAZCAPNASCAW103.8°180.0°
CAZCAPNASH2176.2°0.1°
CAZCAPH22H23118.9°120.0°
CAPCAZCALH240.5°0.1°
CAPCAZCAKH260.1°0.0°
CAPNASCAWH21180.0°179.9°
CAPNASCAWOAG2.5°0.1°
CAPNASCAWCBF174.4°180.0°
NASCAPH22H23118.9°120.1°
NASCAWCBFCBD87.8°61.5°
NASCAWOAGCBF171.8°180.0°
NASCAWCBFNBG157.5°179.4°
NASCAWCBFH2032.8°59.7°
CAWNASCAPH22135.9°60.1°
CAWNASCAPH2316.6°59.9°
FAJCBDCBFCBC114.2°118.0°
FAJCBDCBFH19124.9°123.3°
FAJCBDCBCH19123.2°123.2°
FAJCBDCBFCAW27.6°23.5°
FAJCBDCBFNBG92.1°96.2°
FAJCBDCBCOAI159.9°158.9°
FAJCBDCBCCAQ81.5°83.0°
FAJCBDCBCH1735.3°35.1°
FAJCBDCBFH20149.8°144.8°
CBFCBDCBCH19120.2°118.5°
CBDCBFCAWOAG84.7°118.5°
CBDCBFCAWNBG114.8°117.9°
CBDCBFCAWH20120.6°121.2°
CBDCBFNBGH20117.5°119.3°
CBFCBDCBCOAI83.5°82.8°
CBFCBDCBCCAQ35.1°35.3°
CBDCBFNBGCAQ0.8°1.4°
CBDCBFNBGC177.3°178.9°
CBFCBDCBCH17151.9°153.4°
CBCCBDCBFCAW141.7°141.6°
CBCCBDCBFNBG22.1°21.9°
CBDCBCOAICAQ112.7°112.2°
CBDCBCOAIH17124.0°124.0°
CBDCBCCAQH17117.4°118.2°
CBDCBCCAQNBG35.5°37.0°
CBDCBCCAQH1583.9°155.8°
CBDCBCCAQH16154.8°81.9°
CBDCBCOAIH18180.0°173.7°
CBCCBDCBFH2096.0°97.2°
OAGCAWCBFNBG30.1°0.6°
OAGCAWCBFH20154.7°120.3°
OAGCAWNASH21177.5°180.0°
CAWCBFNBGH20125.5°121.2°
CAWCBFNBGCAQ116.2°118.1°
CAWCBFNBGC65.7°61.6°
CAWCBFCBDH1997.4°99.7°
CBFCAWNASH215.6°0.0°
CBFNBGCAQCBC22.5°24.4°
CBFNBGCAQC177.9°179.7°
CBFNBGCO0.3°4.7°
CBFNBGCCA175.8°175.3°
CBFNBGCAQH1596.8°143.2°
CBFNBGCAQH16141.8°94.6°
NBGCBFCBDH19143.0°140.5°
OAICBCCAQH17124.2°123.7°
OAICBCCAQNBG82.9°81.1°
OAICBCCAQH15157.8°37.7°
OAICBCCAQH1636.4°160.0°
OAICBCCBDH1936.7°35.7°
CBCCAQNBGH15119.3°118.8°
CBCCAQNBGH16119.3°119.0°
CBCCAQNBGC155.4°155.9°
CBCCAQH15H16121.9°122.4°
CAQCBCOAIH1867.3°61.4°
CAQCBCCBDH19155.3°153.8°
CAQNBGCO177.4°175.6°
CAQNBGCCA1.9°4.4°
NBGCAQH15H16121.9°122.2°
NBGCAQCBCH17152.8°155.2°
CAQNBGCBFH20118.3°120.7°
NBGCOCA175.6°180.0°
NBGCCACB104.7°90.7°
NBGCCAN134.9°149.3°
NBGCCAH516.7°29.3°
CNBGCAQH1585.2°37.1°
CNBGCAQH1636.1°85.1°
CNBGCBFH2059.9°59.6°
OCCACB79.5°89.3°
OCCAN40.8°30.7°
OCCAH5159.1°150.7°
CCACBCG158.3°55.7°
CCACBN117.4°120.0°
CCACBH5121.3°120.0°
CCANH5117.6°120.0°
CCACBCAE62.7°175.7°
CCACBCG2179.0°64.3°
CCANCAV110.6°155.0°
CCANH469.4°25.0°
CG1CBCACAE121.0°120.0°
CG1CBCACG2120.7°120.0°
CG1CBCAN175.6°175.7°
CG1CBCAECG2119.8°120.0°
CG1CBCAH563.1°64.3°
CBCG1H6H7120.0°119.9°
CBCG1H6H8120.0°120.0°
CBCG1H7H8120.0°120.0°
CG1CBCAEH9180.0°180.0°
CG1CBCAEH1060.0°60.0°
CG1CBCAEH1160.0°60.0°
CG1CBCG2H12180.0°60.0°
CG1CBCG2H1360.0°60.0°
CG1CBCG2H1460.0°180.0°
CBCANH5120.7°120.0°
CACBCAECG2118.2°120.0°
CBCANCAV127.7°84.9°
CBCANH452.3°95.0°
CACBCG1H6180.0°63.8°
CACBCG1H760.0°176.2°
CACBCG1H860.0°56.2°
CACBCAEH958.0°60.0°
CACBCAEH1062.0°180.0°
CACBCAEH11178.0°60.0°
CACBCG2H1260.2°60.0°
CACBCG2H13179.8°179.9°
CACBCG2H1459.8°60.0°
NCACBCAE54.6°64.3°
NCACBCG263.7°55.8°
CANCAVH4180.0°179.9°
CANCAVOAF3.5°0.1°
CANCAVCAA178.6°180.0°
CAECBCAH5175.9°55.7°
CAECBCG1H655.5°56.2°
CAECBCG1H764.5°63.8°
CAECBCG1H8175.5°176.2°
CBCAEH9H10120.0°120.0°
CBCAEH9H11120.0°120.0°
CBCAEH10H11120.0°120.0°
CAECBCG2H1262.3°180.0°
CAECBCG2H1357.7°60.1°
CAECBCG2H14177.7°60.0°
CG2CBCAH557.6°175.7°
CG2CBCG1H661.8°176.2°
CG2CBCG1H7178.2°56.2°
CG2CBCG1H858.2°63.8°
CG2CBCAEH960.2°60.0°
CG2CBCAEH10179.8°60.0°
CG2CBCAEH1159.8°180.0°
CBCG2H12H13120.0°120.0°
CBCG2H12H14120.0°120.0°
CBCG2H13H14120.0°120.0°
NCAVOAFCAA177.9°180.0°
NCAVCAAH1178.1°90.0°
NCAVCAAH261.9°30.0°
NCAVCAAH358.1°150.0°
CAVNCAH57.0°35.0°
OAFCAVCAAH10.0°90.0°
OAFCAVCAAH2120.0°150.0°
OAFCAVCAAH3120.0°30.0°
OAFCAVNH4176.5°180.0°
CAVCAAH1H2120.0°120.0°
CAVCAAH1H3120.0°120.0°
CAVCAAH2H3120.0°120.0°
CAACAVNH41.5°0.1°
H1CAAH2H3120.0°120.0°
H4NCAH5173.0°145.1°
H6CG1H7H8120.0°120.1°
H9CAEH10H11120.0°120.0°
H12CG2H13H14120.0°120.0°
H15CAQCBCH1733.5°86.0°
H16CAQCBCH1787.8°36.3°
H17CBCOAIH1855.9°62.4°
H17CBCCBDH1987.9°88.1°
H19CBDCBFH2024.8°21.5°
H21NASCAPH2244.1°119.9°
H21NASCAPH23163.4°120.0°
H24CALCANH250.9°0.0°
H26CAKCAMH270.3°0.1°
H29CABH30H31119.9°120.0°

222624

PDB entries from 2024-07-17

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