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DXS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CLAXCAUsing1.74Å1.58Å
CAUCATdoub1.39Å1.38ÅAromatic
CAUCAVsing1.39Å1.38ÅAromatic
CATCASsing1.38Å1.38ÅAromatic
CAVCAWdoub1.38Å1.36ÅAromatic
CASCARdoub1.40Å1.37ÅAromatic
CAWCARsing1.40Å1.35ÅAromatic
CARCAIsing1.48Å1.39Å
OAOCAIdoub1.21Å1.19Å
CAINAFsing1.35Å1.34Å
CBNCAEsing1.51Å1.50Å
NAFCAEsing1.37Å1.27ÅAromatic
NAFCAGsing1.38Å1.29ÅAromatic
OANCACdoub1.21Å1.19Å
CAECAAdoub1.34Å1.29ÅAromatic
OBLSAZdoub1.42Å1.47Å
CAGCAJdoub1.39Å1.31ÅAromatic
CAGCAHsing1.41Å1.31ÅAromatic
OBMSAZdoub1.42Å1.48Å
CAJCAKsing1.38Å1.36ÅAromatic
CAACAHsing1.47Å1.29ÅAromatic
CAACABsing1.51Å1.52Å
CACCABsing1.51Å1.51Å
CACNADsing1.35Å1.30Å
SAZNAYsing1.66Å1.37Å
SAZCBAsing1.76Å1.63Å
CAHCAMdoub1.40Å1.32ÅAromatic
CAPCAQsing1.53Å1.53Å
CAPNADsing1.47Å1.45Å
NAYCAQsing1.46Å1.46Å
CAKCALdoub1.39Å1.37ÅAromatic
CBFCBAdoub1.36Å1.39ÅAromatic
CBFCBEsing1.39Å1.38ÅAromatic
CBACBBsing1.41Å1.37ÅAromatic
CAMCALsing1.38Å1.39ÅAromatic
CALOBOsing1.36Å1.33Å
CBECBDdoub1.36Å1.38ÅAromatic
CBBCBGdoub1.41Å1.37ÅAromatic
CBBCBCsing1.42Å1.37ÅAromatic
CBGCBHsing1.36Å1.38ÅAromatic
OBOCBPsing1.43Å1.37Å
CBDCBCsing1.40Å1.37ÅAromatic
CBCCBJdoub1.41Å1.37ÅAromatic
CBHCBIdoub1.39Å1.37ÅAromatic
CBJCBIsing1.38Å1.37ÅAromatic
CBJNBKsing1.39Å1.31Å
NBKCBQsing1.47Å1.42Å
NBKCBRsing1.47Å1.45Å
CABH1sing1.09Å1.10Å
CABH2sing1.09Å1.10Å
CAJH3sing1.08Å1.08Å
CAKH4sing1.08Å1.08Å
CAMH5sing1.08Å1.08Å
CAPH6sing1.09Å1.10Å
CAPH7sing1.09Å1.10Å
CAQH8sing1.09Å1.10Å
CAQH9sing1.09Å1.10Å
CASH10sing1.08Å1.08Å
CATH11sing1.08Å1.08Å
CAVH12sing1.08Å1.08Å
CAWH13sing1.08Å1.08Å
CBDH14sing1.08Å1.08Å
CBEH15sing1.08Å1.08Å
CBFH16sing1.08Å1.08Å
CBGH17sing1.08Å1.08Å
CBHH18sing1.08Å1.08Å
CBIH19sing1.08Å1.08Å
CBNH20sing1.09Å1.10Å
CBNH21sing1.09Å1.10Å
CBNH22sing1.09Å1.10Å
CBPH23sing1.09Å1.10Å
CBPH24sing1.09Å1.10Å
CBPH25sing1.09Å1.10Å
CBQH26sing1.09Å1.10Å
CBQH27sing1.09Å1.10Å
CBQH28sing1.09Å1.10Å
CBRH29sing1.09Å1.10Å
CBRH30sing1.09Å1.10Å
CBRH31sing1.09Å1.10Å
NADH32sing0.97Å1.00Å
NAYH33sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CLAXCAUCAT123.7°119.9°
CLAXCAUCAV120.1°119.9°
CATCAUCAV116.2°120.3°
CAUCATCAS120.8°120.2°
CAUCATH11119.6°120.0°
CAUCAVCAW121.8°120.1°
CAUCAVH12119.1°120.0°
CATCASCAR122.4°119.8°
CATCASH10118.8°120.1°
CASCATH11119.6°119.9°
CAVCAWCAR122.6°119.8°
CAWCAVH12119.1°119.9°
CAVCAWH13118.7°120.1°
CASCARCAW116.1°119.7°
CASCARCAI121.9°120.1°
CARCASH10118.8°120.1°
CAWCARCAI122.0°120.1°
CARCAWH13118.7°120.1°
CARCAIOAO118.3°120.0°
CARCAINAF123.6°120.0°
OAOCAINAF117.7°120.0°
CAINAFCAE126.8°125.2°
CAINAFCAG125.9°125.2°
CBNCAENAF125.4°125.0°
CBNCAECAA125.3°125.1°
CAECBNH20109.5°109.5°
CAECBNH21109.4°109.5°
CAECBNH22109.4°109.5°
CAENAFCAG107.2°109.7°
NAFCAECAA109.2°109.9°
NAFCAGCAJ129.9°133.3°
NAFCAGCAH108.8°107.1°
OANCACCAB121.7°120.0°
OANCACNAD121.6°120.0°
CAECAACAH108.7°107.2°
CAECAACAB126.0°126.4°
OBLSAZOBM110.4°123.1°
OBLSAZNAY110.0°106.4°
OBLSAZCBA105.3°106.4°
CAJCAGCAH121.2°119.6°
CAGCAJCAK120.8°120.0°
CAGCAJH3119.6°120.0°
CAGCAHCAA106.0°106.2°
CAGCAHCAM121.7°120.0°
OBMSAZNAY111.7°106.4°
OBMSAZCBA112.4°106.4°
CAJCAKCAL118.7°120.5°
CAKCAJH3119.6°119.9°
CAJCAKH4120.7°119.7°
CAHCAACAB125.3°126.4°
CAACAHCAM132.3°133.8°
CAACABCAC114.3°109.5°
CAACABH1108.3°109.5°
CAACABH2108.2°109.4°
CABCACNAD116.7°120.0°
CACCABH1108.2°109.5°
CACCABH2108.3°109.5°
CACNADCAP124.2°120.0°
CACNADH32117.9°120.0°
NAYSAZCBA106.8°107.2°
SAZNAYCAQ121.6°120.1°
SAZNAYH33106.3°120.0°
SAZCBACBF118.9°120.2°
SAZCBACBB121.7°120.2°
CAHCAMCAL119.0°119.6°
CAHCAMH5120.5°120.2°
CAQCAPNAD110.4°109.5°
CAPCAQNAY109.6°109.5°
CAQCAPH6109.2°109.5°
CAQCAPH7109.2°109.5°
CAPCAQH8109.5°109.5°
CAPCAQH9109.4°109.5°
NADCAPH6109.2°109.5°
NADCAPH7109.2°109.4°
CAPNADH32117.9°120.0°
NAYCAQH8109.5°109.4°
NAYCAQH9109.5°109.4°
CAQNAYH33106.4°119.9°
CAKCALCAM118.5°120.3°
CAKCALOBO117.7°119.9°
CALCAKH4120.6°119.7°
CBACBFCBE120.6°121.0°
CBFCBACBB119.4°119.6°
CBACBFH16119.7°119.5°
CBFCBECBD118.8°121.0°
CBFCBEH15120.6°119.4°
CBECBFH16119.7°119.5°
CBACBBCBG119.1°121.2°
CBACBBCBC120.3°119.4°
CAMCALOBO123.8°119.9°
CALCAMH5120.5°120.2°
CALOBOCBP115.7°117.0°
CBECBDCBC120.6°119.7°
CBECBDH14119.7°120.2°
CBDCBEH15120.6°119.6°
CBGCBBCBC120.6°119.5°
CBBCBGCBH119.8°120.0°
CBBCBGH17120.1°120.0°
CBBCBCCBD120.3°119.4°
CBBCBCCBJ119.2°119.3°
CBGCBHCBI120.2°121.1°
CBHCBGH17120.1°120.0°
CBGCBHH18119.9°119.5°
OBOCBPH23109.5°109.5°
OBOCBPH24109.5°109.5°
OBOCBPH25109.5°109.5°
CBDCBCCBJ120.5°121.2°
CBCCBDH14119.7°120.2°
CBCCBJCBI121.0°119.4°
CBCCBJNBK119.1°120.3°
CBHCBICBJ119.2°120.7°
CBICBHH18119.9°119.4°
CBHCBIH19120.4°119.6°
CBICBJNBK119.9°120.3°
CBJCBIH19120.4°119.7°
CBJNBKCBQ118.9°111.0°
CBJNBKCBR119.5°111.0°
CBQNBKCBR120.8°111.0°
NBKCBQH26109.5°109.4°
NBKCBQH27109.5°109.5°
NBKCBQH28109.4°109.5°
NBKCBRH29109.5°109.5°
NBKCBRH30109.5°109.4°
NBKCBRH31109.5°109.5°
H1CABH2109.5°109.4°
H6CAPH7109.5°109.4°
H8CAQH9109.4°109.5°
H20CBNH21109.5°109.5°
H20CBNH22109.5°109.5°
H21CBNH22109.5°109.4°
H23CBPH24109.5°109.5°
H23CBPH25109.5°109.4°
H24CBPH25109.5°109.5°
H26CBQH27109.4°109.5°
H26CBQH28109.5°109.4°
H27CBQH28109.5°109.5°
H29CBRH30109.5°109.4°
H29CBRH31109.4°109.5°
H30CBRH31109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CLAXCAUCATCAV179.2°179.9°
CLAXCAUCATCAS178.6°180.0°
CLAXCAUCAVCAW178.8°179.8°
CLAXCAUCATH111.4°0.0°
CLAXCAUCAVH121.1°0.0°
CAUCATCASH11180.0°180.0°
CATCAUCAVCAW0.4°0.3°
CAUCATCASCAR0.4°0.0°
CAUCATCASH10179.6°180.0°
CATCAUCAVH12179.6°179.9°
CAVCAUCATCAS0.6°0.0°
CAUCAVCAWH12180.0°179.8°
CAUCAVCAWCAR0.0°0.5°
CAVCAUCATH11179.4°180.0°
CAUCAVCAWH13180.0°179.9°
CATCASCARH10180.0°180.0°
CATCASCARCAW0.0°0.2°
CATCASCARCAI179.3°180.0°
CAVCAWCARCAS0.3°0.5°
CAVCAWCARH13180.0°179.6°
CAVCAWCARCAI179.5°179.8°
CASCARCAWCAI179.2°179.8°
CASCARCAIOAO16.1°5.3°
CASCARCAINAF156.4°174.7°
CARCASCATH11179.6°180.0°
CASCARCAWH13179.8°179.9°
CAWCARCAIOAO164.7°174.9°
CAWCARCAINAF22.7°5.0°
CAWCARCASH10180.0°179.8°
CARCAWCAVH12179.9°179.7°
CARCAIOAONAF173.0°180.0°
CARCAINAFCAE141.4°85.1°
CARCAINAFCAG42.1°95.1°
CAICARCASH100.8°0.0°
CAICARCAWH130.6°0.2°
OAOCAINAFCAE46.0°94.9°
OAOCAINAFCAG130.5°84.8°
CAINAFCAECBN3.2°0.0°
CAINAFCAECAG177.0°179.8°
CAINAFCAECAA179.1°180.0°
CAINAFCAGCAJ2.3°0.2°
CAINAFCAGCAH178.0°179.9°
CBNCAENAFCAA177.7°180.0°
CBNCAENAFCAG179.7°179.8°
CBNCAECAACAH179.9°180.0°
CBNCAECAACAB1.8°0.3°
CAECBNH20H21120.0°120.0°
CAECBNH20H22120.0°120.0°
CAECBNH21H22120.0°120.0°
CAENAFCAGCAJ179.3°180.0°
CAENAFCAGCAH0.9°0.3°
NAFCAECAACAH2.4°0.0°
NAFCAECAACAB179.5°179.7°
NAFCAECBNH2091.4°90.0°
NAFCAECBNH21148.7°30.0°
NAFCAECBNH2228.7°150.0°
CAGNAFCAECAA2.1°0.2°
NAFCAGCAJCAH179.7°179.6°
NAFCAGCAJCAK179.7°179.6°
NAFCAGCAHCAA0.5°0.3°
NAFCAGCAHCAM179.1°179.7°
NAFCAGCAJH30.3°0.5°
OANCACCABCAA63.0°0.0°
OANCACCABNAD177.8°180.0°
OANCACNADCAP1.3°0.1°
OANCACCABH157.7°120.0°
OANCACCABH2176.3°120.0°
OANCACNADH32178.7°180.0°
CAECAACAHCAG1.8°0.2°
CAECAACAHCAB178.1°179.7°
CAECAACABCAC86.6°89.7°
CAECAACAHCAM179.9°179.8°
CAECAACABH134.1°30.4°
CAECAACABH2152.7°150.3°
CAACAECBNH2091.3°90.0°
CAACAECBNH2128.7°150.0°
CAACAECBNH22148.7°30.0°
OBLSAZOBMNAY122.8°122.9°
OBLSAZOBMCBA117.3°123.0°
OBLSAZNAYCBA113.8°113.5°
OBLSAZNAYCAQ130.8°49.5°
OBLSAZCBACBF14.4°2.6°
OBLSAZCBACBB167.9°177.7°
OBLSAZNAYH339.1°130.5°
CAGCAJCAKH3180.0°180.0°
CAJCAGCAHCAA179.2°180.0°
CAJCAGCAHCAM0.7°0.0°
CAGCAJCAKCAL0.6°0.0°
CAGCAJCAKH4179.3°180.0°
CAHCAGCAJCAK0.0°0.0°
CAGCAHCAACAM178.3°180.0°
CAGCAHCAACAB179.9°179.9°
CAGCAHCAMCAL0.6°0.0°
CAHCAGCAJH3180.0°179.9°
CAGCAHCAMH5179.3°179.9°
OBMSAZNAYCBA123.3°113.6°
OBMSAZNAYCAQ7.8°177.6°
OBMSAZCBACBF134.7°130.4°
OBMSAZCBACBB47.6°49.4°
OBMSAZNAYH33113.9°2.4°
CAJCAKCALH4180.0°180.0°
CAJCAKCALCAM0.6°0.0°
CAJCAKCALOBO179.8°180.0°
CAHCAACABCAC95.7°90.0°
CAACAHCAMCAL178.7°180.0°
CAHCAACABH1143.6°150.0°
CAHCAACABH225.0°30.1°
CAACAHCAMH51.2°0.1°
CAACABCACH1120.7°120.1°
CAACABCACH2120.7°120.0°
CAACABCACNAD119.2°180.0°
CABCAACAHCAM1.8°0.1°
CAACABH1H2117.8°119.9°
CABCACNADCAP176.4°179.9°
CACCABH1H2117.8°120.0°
CABCACNADH323.6°0.0°
CACNADCAPCAQ94.1°180.0°
CACNADCAPH32180.0°179.9°
NADCACCABH1120.0°60.0°
NADCACCABH21.4°60.0°
CACNADCAPH626.1°59.9°
CACNADCAPH7145.8°60.0°
SAZNAYCAQCAP145.5°163.7°
SAZNAYCAQH33121.7°180.0°
NAYSAZCBACBF102.5°116.1°
NAYSAZCBACBB75.2°64.2°
SAZNAYCAQH825.4°43.7°
SAZNAYCAQH994.5°76.3°
CBASAZNAYCAQ115.4°64.0°
SAZCBACBFCBB177.7°179.7°
SAZCBACBFCBE178.5°179.7°
SAZCBACBBCBG1.9°0.3°
SAZCBACBBCBC178.4°179.7°
SAZCBACBFH161.5°0.2°
CBASAZNAYH33122.8°116.0°
CAHCAMCALCAK0.0°0.0°
CAHCAMCALH5180.0°180.0°
CAHCAMCALOBO179.6°180.0°
CAQCAPNADH6120.2°120.1°
CAQCAPNADH7120.1°120.0°
CAPCAQNAYH8120.0°120.0°
CAPCAQNAYH9120.0°120.0°
CAQCAPH6H7119.6°120.0°
CAPCAQH8H9119.9°120.1°
CAQCAPNADH3285.9°0.1°
CAPCAQNAYH3323.8°16.3°
NADCAPCAQNAY174.5°180.0°
NADCAPH6H7119.5°119.9°
NADCAPCAQH865.4°60.1°
NADCAPCAQH954.5°60.0°
NAYCAQCAPH665.3°60.0°
NAYCAQCAPH754.4°60.0°
NAYCAQH8H9120.0°119.9°
CAKCALCAMOBO179.5°180.0°
CAKCALOBOCBP172.5°0.0°
CALCAKCAJH3179.4°179.9°
CAKCALCAMH5180.0°179.9°
CBACBFCBEH16180.0°180.0°
CBACBFCBECBD0.1°0.0°
CBFCBACBBCBG179.6°180.0°
CBFCBACBBCBC0.7°0.0°
CBACBFCBEH15179.9°179.9°
CBECBFCBACBB0.8°0.0°
CBFCBECBDH15180.0°179.9°
CBFCBECBDCBC0.8°0.0°
CBFCBECBDH14179.2°180.0°
CBACBBCBGCBC179.7°180.0°
CBACBBCBGCBH179.8°180.0°
CBACBBCBCCBD0.1°0.0°
CBACBBCBCCBJ179.7°180.0°
CBBCBACBFH16179.2°180.0°
CBACBBCBGH170.1°0.0°
CAMCALOBOCBP8.0°180.0°
CAMCALCAKH4179.3°180.0°
OBOCALCAKH40.3°0.1°
OBOCALCAMH50.4°0.0°
CALOBOCBPH23180.0°180.0°
CALOBOCBPH2460.0°60.0°
CALOBOCBPH2560.0°60.0°
CBECBDCBCCBB0.9°0.0°
CBECBDCBCH14180.0°180.0°
CBECBDCBCCBJ179.5°180.0°
CBDCBECBFH16179.9°180.0°
CBBCBGCBHH17180.0°180.0°
CBGCBBCBCCBD179.6°180.0°
CBGCBBCBCCBJ0.0°0.0°
CBBCBGCBHCBI0.3°0.0°
CBBCBGCBHH18179.7°180.0°
CBCCBBCBGCBH0.1°0.0°
CBBCBCCBDCBJ179.6°180.0°
CBBCBCCBJCBI0.1°0.1°
CBBCBCCBJNBK178.3°180.0°
CBBCBCCBDH14179.1°180.0°
CBCCBBCBGH17179.9°180.0°
CBGCBHCBIH18180.0°179.9°
CBGCBHCBICBJ0.4°0.1°
CBGCBHCBIH19179.6°180.0°
OBOCBPH23H24120.0°120.1°
OBOCBPH23H25120.0°120.0°
OBOCBPH24H25120.0°120.0°
CBDCBCCBJCBI179.5°179.9°
CBDCBCCBJNBK2.1°0.0°
CBCCBDCBEH15179.2°180.0°
CBCCBJCBICBH0.3°0.2°
CBCCBJCBINBK178.4°179.9°
CBCCBJNBKCBQ132.0°120.0°
CBCCBJNBKCBR57.6°116.1°
CBJCBCCBDH140.5°0.0°
CBCCBJCBIH19179.7°180.0°
CBHCBICBJH19180.0°179.8°
CBHCBICBJNBK178.0°179.9°
CBICBHCBGH17179.7°179.9°
CBICBJNBKCBQ49.6°59.9°
CBICBJNBKCBR120.8°64.0°
CBJCBICBHH18179.6°179.9°
CBJNBKCBQCBR170.2°123.9°
NBKCBJCBIH192.0°0.1°
CBJNBKCBQH26180.0°60.0°
CBJNBKCBQH2760.0°180.0°
CBJNBKCBQH2860.0°60.0°
CBJNBKCBRH29180.0°60.0°
CBJNBKCBRH3060.0°180.0°
CBJNBKCBRH3160.0°60.0°
NBKCBQH26H27120.0°120.0°
NBKCBQH26H28120.0°120.0°
NBKCBQH27H28120.0°120.0°
CBQNBKCBRH299.9°176.0°
CBQNBKCBRH30110.2°56.1°
CBQNBKCBRH31129.8°63.9°
CBRNBKCBQH269.8°64.0°
CBRNBKCBQH27129.8°56.1°
CBRNBKCBQH28110.2°176.1°
NBKCBRH29H30120.0°119.9°
NBKCBRH29H31120.0°120.0°
NBKCBRH30H31120.0°120.0°
H3CAJCAKH40.6°0.0°
H6CAPCAQH854.7°60.0°
H6CAPCAQH9174.7°179.9°
H6CAPNADH32153.9°120.0°
H7CAPCAQH8174.5°180.0°
H7CAPCAQH965.6°60.0°
H7CAPNADH3234.2°120.1°
H8CAQNAYH3396.3°136.3°
H9CAQNAYH33143.8°103.7°
H10CASCATH110.4°0.0°
H12CAVCAWH130.0°0.1°
H14CBDCBEH150.8°0.0°
H15CBECBFH160.0°0.1°
H17CBGCBHH180.3°0.0°
H18CBHCBIH190.4°0.1°
H20CBNH21H22120.0°120.0°
H23CBPH24H25120.0°119.9°
H26CBQH27H28120.0°120.0°
H29CBRH30H31120.0°120.1°

226262

PDB entries from 2024-10-16

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