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4C1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CALNAGsing1.47Å1.39Å
OAJCAHdoub1.22Å1.24Å
CBLCBKsing1.53Å1.53Å
NAGCAHsing1.35Å1.36Å
NAGCAEsing1.40Å1.32Å
CAHNAIsing1.35Å1.35Å
CAECADdoub1.39Å1.32ÅAromatic
CAECAFsing1.40Å1.36ÅAromatic
NAICAKsing1.47Å1.49Å
NAICAFsing1.40Å1.35Å
CBKCBJsing1.53Å1.54Å
CADCACsing1.38Å1.37ÅAromatic
CBJOBHsing1.43Å1.43Å
CAFCAAdoub1.39Å1.33ÅAromatic
OBHCBFsing1.36Å1.36Å
CBRNBQsing1.47Å1.48Å
CBFCBGdoub1.39Å1.38ÅAromatic
CBFCBEsing1.39Å1.39ÅAromatic
CBGCBBsing1.39Å1.37ÅAromatic
CBECBDdoub1.39Å1.38ÅAromatic
CACOBAsing1.36Å1.38Å
CACCABdoub1.39Å1.42ÅAromatic
CBPNBQsing1.47Å1.49Å
CBPCBOsing1.53Å1.51Å
CAACABsing1.39Å1.38ÅAromatic
CBBOBAsing1.36Å1.38Å
CBBCBCdoub1.39Å1.38ÅAromatic
CBDOBIsing1.36Å1.35Å
CBDCBCsing1.39Å1.39ÅAromatic
NBQCBSsing1.47Å1.49Å
OBICBMsing1.43Å1.41Å
CBNCBOsing1.53Å1.52Å
CBNCBMsing1.53Å1.51Å
CABNAMsing1.40Å1.34Å
OAWCAZsing1.43Å1.43Å
OAWCATsing1.36Å1.38Å
CAUCATdoub1.38Å1.40ÅAromatic
CAUCAVsing1.38Å1.38ÅAromatic
CATCASsing1.39Å1.42ÅAromatic
CAVCAQdoub1.38Å1.39ÅAromatic
NAMSANsing1.66Å1.86Å
CASOAXsing1.36Å1.35Å
CASCARdoub1.39Å1.37ÅAromatic
OAXCAYsing1.43Å1.44Å
CAQCARsing1.38Å1.38ÅAromatic
CAQSANsing1.76Å1.67Å
SANOAPdoub1.42Å1.57Å
SANOAOdoub1.42Å1.57Å
CAYH1sing1.09Å1.10Å
CAYH2sing1.09Å1.10Å
CAYH3sing1.09Å1.10Å
CARH4sing1.08Å1.08Å
CAZH5sing1.09Å1.10Å
CAZH6sing1.09Å1.10Å
CAZH7sing1.09Å1.10Å
CAUH8sing1.08Å1.08Å
CAVH9sing1.08Å1.08Å
NAMH10sing0.97Å1.00Å
CAAH11sing1.08Å1.08Å
CAKH12sing1.09Å1.10Å
CAKH13sing1.09Å1.10Å
CAKH14sing1.09Å1.10Å
CALH15sing1.09Å1.10Å
CALH16sing1.09Å1.10Å
CALH17sing1.09Å1.10Å
CADH18sing1.08Å1.08Å
CBCH19sing1.08Å1.08Å
CBGH20sing1.08Å1.08Å
CBJH21sing1.09Å1.10Å
CBJH22sing1.09Å1.10Å
CBKH23sing1.09Å1.10Å
CBKH24sing1.09Å1.10Å
CBLH25sing1.09Å1.10Å
CBLH26sing1.09Å1.10Å
CBLH27sing1.09Å1.10Å
CBEH28sing1.08Å1.08Å
CBMH29sing1.09Å1.10Å
CBMH30sing1.09Å1.10Å
CBNH31sing1.09Å1.10Å
CBNH32sing1.09Å1.10Å
CBOH33sing1.09Å1.10Å
CBOH34sing1.09Å1.10Å
CBPH35sing1.09Å1.10Å
CBPH36sing1.09Å1.10Å
CBRH38sing1.09Å1.10Å
CBRH39sing1.09Å1.10Å
CBRH40sing1.09Å1.10Å
CBSH41sing1.09Å1.10Å
CBSH42sing1.09Å1.10Å
CBSH43sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CALNAGCAH125.8°125.8°
CALNAGCAE126.9°125.8°
NAGCALH15109.5°109.5°
NAGCALH16109.4°109.5°
NAGCALH17109.5°109.5°
OAJCAHNAG125.6°125.2°
OAJCAHNAI125.3°125.1°
CBLCBKCBJ112.4°109.5°
CBLCBKH23108.7°109.5°
CBLCBKH24108.7°109.5°
CBKCBLH25109.5°109.5°
CBKCBLH26109.5°109.5°
CBKCBLH27109.5°109.5°
CAHNAGCAE107.3°108.4°
NAGCAHNAI109.0°109.7°
NAGCAECAD129.7°133.2°
NAGCAECAF108.9°106.8°
CAHNAICAK124.1°125.8°
CAHNAICAF106.8°108.4°
CADCAECAF121.4°120.0°
CAECADCAC120.8°119.9°
CAECADH18119.6°120.0°
CAECAFNAI108.0°106.8°
CAECAFCAA120.4°120.0°
CAKNAICAF129.0°125.8°
NAICAKH12109.5°109.5°
NAICAKH13109.5°109.4°
NAICAKH14109.4°109.4°
NAICAFCAA131.7°133.2°
CBKCBJOBH107.4°109.5°
CBKCBJH21110.0°109.5°
CBKCBJH22110.0°109.5°
CBJCBKH23108.7°109.5°
CBJCBKH24108.7°109.5°
CADCACOBA125.2°119.9°
CADCACCAB118.1°120.1°
CACCADH18119.6°120.1°
CBJOBHCBF115.5°117.0°
OBHCBJH21110.0°109.5°
OBHCBJH22110.0°109.4°
CAFCAACAB120.4°119.8°
CAFCAAH11119.8°120.0°
OBHCBFCBG116.9°120.0°
OBHCBFCBE122.6°120.0°
CBRNBQCBP109.8°111.0°
CBRNBQCBS110.2°111.0°
NBQCBRH38109.5°109.5°
NBQCBRH39109.5°109.5°
NBQCBRH40109.5°109.5°
CBGCBFCBE120.4°120.0°
CBFCBGCBB120.7°120.0°
CBFCBGH20119.7°120.0°
CBFCBECBD118.9°120.0°
CBFCBEH28120.5°120.0°
CBGCBBOBA122.7°120.0°
CBGCBBCBC119.2°120.0°
CBBCBGH20119.6°120.0°
CBECBDOBI114.8°120.0°
CBECBDCBC120.3°120.0°
CBDCBEH28120.6°120.0°
OBACACCAB116.6°120.0°
CACOBACBB118.5°118.0°
CACCABCAA118.7°120.1°
CACCABNAM113.6°119.9°
NBQCBPCBO108.0°109.5°
CBPNBQCBS112.2°111.0°
NBQCBPH35109.9°109.5°
NBQCBPH36109.9°109.5°
CBPCBOCBN104.3°109.5°
CBPCBOH33110.7°109.5°
CBPCBOH34110.7°109.4°
CBOCBPH35109.9°109.5°
CBOCBPH36109.9°109.4°
CAACABNAM127.5°119.9°
CABCAAH11119.8°120.1°
OBACBBCBC117.9°120.0°
CBBCBCCBD120.3°120.0°
CBBCBCH19119.9°120.0°
OBICBDCBC124.9°120.0°
CBDOBICBM117.5°117.0°
CBDCBCH19119.9°120.0°
NBQCBSH41109.5°109.5°
NBQCBSH42109.5°109.5°
NBQCBSH43109.5°109.4°
OBICBMCBN101.0°109.5°
OBICBMH29111.5°109.4°
OBICBMH30111.5°109.5°
CBOCBNCBM103.4°109.5°
CBOCBNH31111.0°109.5°
CBOCBNH32111.0°109.5°
CBNCBOH33110.7°109.5°
CBNCBOH34110.7°109.5°
CBNCBMH29111.5°109.4°
CBNCBMH30111.5°109.5°
CBMCBNH31111.0°109.4°
CBMCBNH32111.0°109.5°
CABNAMSAN123.6°120.0°
CABNAMH10105.8°120.0°
CAZOAWCAT120.3°117.0°
OAWCAZH5109.5°109.5°
OAWCAZH6109.5°109.5°
OAWCAZH7109.5°109.5°
OAWCATCAU116.6°120.1°
OAWCATCAS122.4°120.0°
CATCAUCAV119.5°120.0°
CAUCATCAS121.0°119.9°
CATCAUH8120.3°120.0°
CAUCAVCAQ117.8°120.2°
CAVCAUH8120.2°120.0°
CAUCAVH9121.1°119.9°
CATCASOAX121.9°120.1°
CATCASCAR119.3°119.8°
CAVCAQCAR124.4°120.2°
CAVCAQSAN120.7°120.0°
CAQCAVH9121.1°119.9°
NAMSANCAQ110.3°107.2°
NAMSANOAP110.9°106.4°
NAMSANOAO103.9°106.4°
SANNAMH10105.9°120.0°
OAXCASCAR118.8°120.1°
CASOAXCAY117.3°117.0°
CASCARCAQ118.0°120.0°
CASCARH4121.0°120.0°
OAXCAYH1109.5°109.4°
OAXCAYH2109.5°109.5°
OAXCAYH3109.5°109.5°
CARCAQSAN114.9°119.9°
CAQCARH4121.0°120.1°
CAQSANOAP105.4°106.3°
CAQSANOAO107.7°106.4°
OAPSANOAO118.5°123.1°
H1CAYH2109.5°109.5°
H1CAYH3109.5°109.5°
H2CAYH3109.5°109.5°
H5CAZH6109.5°109.5°
H5CAZH7109.5°109.5°
H6CAZH7109.4°109.4°
H12CAKH13109.5°109.5°
H12CAKH14109.5°109.5°
H13CAKH14109.5°109.4°
H15CALH16109.5°109.5°
H15CALH17109.4°109.4°
H16CALH17109.5°109.5°
H21CBJH22109.5°109.4°
H23CBKH24109.5°109.4°
H25CBLH26109.5°109.5°
H25CBLH27109.5°109.5°
H26CBLH27109.4°109.5°
H29CBMH30109.5°109.5°
H31CBNH32109.5°109.5°
H33CBOH34109.5°109.4°
H35CBPH36109.4°109.5°
H38CBRH39109.5°109.5°
H38CBRH40109.5°109.5°
H39CBRH40109.4°109.4°
H41CBSH42109.5°109.5°
H41CBSH43109.4°109.5°
H42CBSH43109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CALNAGCAHOAJ2.8°0.0°
CALNAGCAHCAE178.1°180.0°
CALNAGCAHNAI178.4°180.0°
CALNAGCAECAD1.9°0.0°
CALNAGCAECAF179.2°180.0°
NAGCALH15H16120.0°120.0°
NAGCALH15H17120.0°120.0°
NAGCALH16H17120.0°120.0°
OAJCAHNAGNAI178.8°180.0°
OAJCAHNAGCAE179.1°180.0°
OAJCAHNAICAK1.3°0.1°
OAJCAHNAICAF178.2°180.0°
CBLCBKCBJH23120.4°120.0°
CBLCBKCBJH24120.4°120.0°
CBLCBKCBJOBH66.6°175.0°
CBLCBKCBJH2153.1°65.0°
CBLCBKCBJH22173.7°55.0°
CBLCBKH23H24118.7°120.0°
CBKCBLH25H26120.0°120.0°
CBKCBLH25H27120.0°120.0°
CBKCBLH26H27120.0°120.0°
CAHNAGCAECAD180.0°180.0°
CAHNAGCAECAF1.1°0.0°
NAGCAHNAICAK177.6°179.9°
NAGCAHNAICAF0.7°0.0°
CAHNAGCALH15180.0°5.0°
CAHNAGCALH1660.0°125.0°
CAHNAGCALH1760.0°115.0°
CAENAGCAHNAI0.3°0.0°
NAGCAECADCAF178.8°180.0°
NAGCAECAFNAI1.5°0.0°
NAGCAECADCAC179.2°179.8°
NAGCAECAFCAA178.3°180.0°
CAENAGCALH152.2°175.0°
CAENAGCALH16122.3°55.0°
CAENAGCALH17117.7°65.0°
NAGCAECADH180.9°0.0°
CAHNAICAFCAE1.3°0.0°
CAHNAICAKCAF176.2°179.9°
CAHNAICAFCAA178.4°180.0°
CAHNAICAKH12180.0°89.9°
CAHNAICAKH1360.0°30.1°
CAHNAICAKH1460.0°150.0°
CADCAECAFNAI179.4°180.0°
CAECADCACH18180.0°179.8°
CADCAECAFCAA0.8°0.0°
CAECADCACOBA179.8°180.0°
CAECADCACCAB1.1°0.5°
CAECAFNAICAK178.0°179.9°
CAECAFNAICAA179.8°180.0°
CAFCAECADCAC0.3°0.2°
CAECAFCAACAB3.3°0.0°
CAECAFCAAH11176.7°180.0°
CAFCAECADH18179.7°180.0°
CAKNAICAFCAA1.7°0.1°
NAICAKH12H13120.0°120.0°
NAICAKH12H14120.0°120.0°
NAICAKH13H14120.0°119.9°
NAICAFCAACAB176.9°179.9°
NAICAFCAAH113.0°0.0°
CAFNAICAKH123.8°90.0°
CAFNAICAKH13123.8°150.0°
CAFNAICAKH14116.2°30.1°
CBKCBJOBHH21119.7°120.0°
CBKCBJOBHH22119.7°120.0°
CBKCBJOBHCBF178.9°175.6°
CBKCBJH21H22121.0°120.0°
CBJCBKH23H24118.7°120.0°
CBJCBKCBLH25180.0°175.0°
CBJCBKCBLH2660.0°55.0°
CBJCBKCBLH2760.0°65.0°
CADCACOBACAB179.1°179.5°
CADCACCABCAA3.5°0.5°
CADCACOBACBB71.2°4.3°
CADCACCABNAM178.7°179.8°
CBJOBHCBFCBG173.3°4.9°
CBJOBHCBFCBE2.5°175.0°
OBHCBJH21H22120.9°119.9°
OBHCBJCBKH23173.0°55.0°
OBHCBJCBKH2453.8°65.0°
CAFCAACABCAC4.7°0.3°
CAFCAACABH11180.0°179.9°
CAFCAACABNAM179.1°180.0°
OBHCBFCBGCBE176.0°179.9°
OBHCBFCBGCBB179.4°180.0°
OBHCBFCBECBD178.5°179.7°
OBHCBFCBGH200.6°0.1°
CBFOBHCBJH2161.4°55.5°
CBFOBHCBJH2259.2°64.4°
OBHCBFCBEH281.5°0.0°
CBRNBQCBPCBS122.9°124.0°
CBRNBQCBPCBO151.8°66.1°
CBRNBQCBPH3588.4°54.0°
CBRNBQCBPH3632.0°174.0°
NBQCBRH38H39120.0°120.1°
NBQCBRH38H40120.0°120.0°
NBQCBRH39H40120.0°120.0°
CBRNBQCBSH41180.0°176.0°
CBRNBQCBSH4260.0°56.0°
CBRNBQCBSH4360.0°64.0°
CBFCBGCBBH20180.0°179.9°
CBGCBFCBECBD2.8°0.3°
CBFCBGCBBOBA179.5°180.0°
CBFCBGCBBCBC4.3°0.2°
CBGCBFCBEH28177.2°179.9°
CBECBFCBGCBB4.6°0.0°
CBFCBECBDH28180.0°179.7°
CBFCBECBDOBI179.3°180.0°
CBFCBECBDCBC0.8°0.4°
CBECBFCBGH20175.4°180.0°
CBGCBBOBACAC14.7°103.2°
CBGCBBOBACBC176.2°179.7°
CBGCBBCBCCBD2.3°0.2°
CBGCBBCBCH19177.7°179.7°
CBECBDCBCCBB0.6°0.1°
CBECBDOBICBC178.4°179.6°
CBECBDOBICBM175.8°180.0°
CBECBDCBCH19179.4°180.0°
OBACACCABCAA177.3°179.9°
CACOBACBBCBC161.6°77.0°
OBACACCABNAM2.1°0.3°
OBACACCADH180.2°0.2°
CACCABCAANAM174.4°179.7°
CABCACOBACBB108.0°175.3°
CACCABNAMSAN134.3°144.7°
CACCABNAMH10103.7°35.3°
CACCABCAAH11175.4°179.8°
CABCACCADH18178.9°179.7°
NBQCBPCBOH35119.8°120.1°
NBQCBPCBOH36119.8°120.0°
NBQCBPCBOCBN172.2°180.0°
NBQCBPCBOH3368.6°59.9°
NBQCBPCBOH3453.1°60.0°
NBQCBPH35H36120.7°120.0°
CBPNBQCBRH38180.0°60.0°
CBPNBQCBRH3960.0°179.9°
CBPNBQCBRH4060.0°60.0°
CBPNBQCBSH4157.3°60.0°
CBPNBQCBSH42177.3°179.9°
CBPNBQCBSH4362.7°60.0°
CBOCBPNBQCBS85.3°170.0°
CBPCBOCBNH33119.2°120.0°
CBPCBOCBNH34119.2°120.0°
CBPCBOCBNCBM160.1°180.0°
CBPCBOCBNH3180.9°60.0°
CBPCBOCBNH3241.1°60.0°
CBPCBOH33H34122.4°119.9°
CBOCBPH35H36120.7°120.0°
CAACABNAMSAN51.0°35.6°
CAACABNAMH1070.9°144.4°
OBACBBCBCCBD178.7°180.0°
OBACBBCBCH191.3°0.0°
OBACBBCBGH200.5°0.0°
CBBCBCCBDOBI178.8°179.7°
CBBCBCCBDH19180.0°179.9°
CBCCBBCBGH20175.7°179.7°
CBDOBICBMCBN152.7°180.0°
OBICBDCBCH191.2°0.4°
OBICBDCBEH280.7°0.3°
CBDOBICBMH2988.7°60.0°
CBDOBICBMH3034.1°60.0°
CBCCBDOBICBM5.8°0.4°
CBCCBDCBEH28179.2°179.9°
CBSNBQCBPH3534.5°70.0°
CBSNBQCBPH36154.9°50.0°
CBSNBQCBRH3856.0°64.0°
CBSNBQCBRH39176.0°56.1°
CBSNBQCBRH4064.1°176.0°
NBQCBSH41H42120.0°120.0°
NBQCBSH41H43120.0°120.0°
NBQCBSH42H43120.0°119.9°
OBICBMCBNCBO170.7°180.0°
OBICBMCBNH29118.6°120.0°
OBICBMCBNH30118.6°120.0°
OBICBMH29H30123.9°120.0°
OBICBMCBNH3170.2°60.0°
OBICBMCBNH3251.7°60.0°
CBOCBNCBMH31119.0°120.0°
CBOCBNCBMH32119.0°120.0°
CBOCBNCBMH2970.7°60.0°
CBOCBNCBMH3052.1°60.0°
CBOCBNH31H32122.9°120.0°
CBNCBOH33H34122.4°120.0°
CBNCBOCBPH3552.4°60.0°
CBNCBOCBPH3668.0°60.0°
CBNCBMH29H30124.0°120.0°
CBMCBNH31H32122.8°120.0°
CBMCBNCBOH3340.9°60.0°
CBMCBNCBOH3480.7°60.0°
CABNAMSANH10121.9°180.0°
CABNAMSANCAQ58.8°61.3°
CABNAMSANOAP57.7°174.8°
CABNAMSANOAO174.0°52.3°
NAMCABCAAH110.9°0.1°
CAZOAWCATCAU161.7°0.1°
CAZOAWCATCAS19.3°180.0°
OAWCAZH5H6120.0°120.0°
OAWCAZH5H7120.0°120.1°
OAWCAZH6H7120.0°120.0°
OAWCATCAUCAS179.0°180.0°
OAWCATCAUCAV179.6°180.0°
OAWCATCASOAX0.8°0.0°
OAWCATCASCAR179.7°179.8°
CATOAWCAZH5180.0°180.0°
CATOAWCAZH660.0°60.0°
CATOAWCAZH760.0°59.9°
OAWCATCAUH80.4°0.0°
CATCAUCAVH8180.0°180.0°
CATCAUCAVCAQ0.6°0.2°
CAUCATCASOAX179.8°180.0°
CAUCATCASCAR0.7°0.3°
CATCAUCAVH9179.4°180.0°
CAVCAUCATCAS0.6°0.0°
CAUCAVCAQH9180.0°179.8°
CAUCAVCAQCAR0.7°0.2°
CAUCAVCAQSAN178.5°180.0°
CATCASOAXCAR179.5°179.7°
CATCASOAXCAY168.5°179.7°
CATCASCARCAQ0.8°0.3°
CATCASCARH4179.2°179.8°
CASCATCAUH8179.4°180.0°
CAVCAQSANNAM99.8°90.0°
CAVCAQCARCAS0.8°0.0°
CAVCAQCARSAN179.3°179.8°
CAVCAQSANOAP20.0°23.5°
CAVCAQSANOAO147.4°156.4°
CAVCAQCARH4179.1°180.0°
CAQCAVCAUH8179.4°179.8°
NAMSANCAQCAR79.5°89.8°
NAMSANCAQOAP119.8°113.5°
NAMSANCAQOAO112.8°113.6°
NAMSANOAPOAO120.0°123.0°
OAXCASCARCAQ179.7°180.0°
CASOAXCAYH1180.0°180.0°
CASOAXCAYH260.0°60.0°
CASOAXCAYH360.0°60.0°
OAXCASCARH40.3°0.1°
CARCASOAXCAY12.0°0.0°
CASCARCAQH4180.0°179.9°
CASCARCAQSAN178.4°179.7°
OAXCAYH1H2120.0°120.0°
OAXCAYH1H3120.0°120.0°
OAXCAYH2H3120.0°120.0°
CARCAQSANOAP160.7°156.7°
CARCAQSANOAO33.3°23.8°
CARCAQCAVH9179.3°180.0°
CAQSANOAPOAO120.6°122.9°
SANCAQCARH41.6°0.2°
SANCAQCAVH91.5°0.3°
CAQSANNAMH10179.3°118.7°
OAPSANNAMH1064.3°5.3°
OAOSANNAMH1064.1°127.7°
H1CAYH2H3120.0°120.1°
H5CAZH6H7120.0°120.0°
H8CAUCAVH90.6°0.0°
H12CAKH13H14120.0°120.0°
H15CALH16H17119.9°120.0°
H21CBJCBKH2367.4°175.0°
H21CBJCBKH24173.5°55.0°
H22CBJCBKH2353.3°65.0°
H22CBJCBKH2465.9°175.0°
H23CBKCBLH2559.6°64.9°
H23CBKCBLH2660.4°175.1°
H23CBKCBLH27179.6°55.1°
H24CBKCBLH2559.6°55.0°
H24CBKCBLH26179.6°65.0°
H24CBKCBLH2760.5°175.0°
H25CBLH26H27120.0°120.0°
H29CBMCBNH3148.4°180.0°
H29CBMCBNH32170.3°60.0°
H30CBMCBNH31171.1°60.0°
H30CBMCBNH3266.9°180.0°
H31CBNCBOH33159.9°180.0°
H31CBNCBOH3438.3°60.0°
H32CBNCBOH3378.1°60.0°
H32CBNCBOH34160.3°180.0°
H33CBOCBPH35171.6°NaN°
H33CBOCBPH3651.2°60.0°
H34CBOCBPH3566.7°60.1°
H34CBOCBPH36172.9°179.9°
H38CBRH39H40120.0°120.0°
H41CBSH42H43120.0°120.0°

225946

PDB entries from 2024-10-09

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