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66K

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NBACAOdoub1.32Å1.36ÅAromatic
NBACAIsing1.32Å1.37ÅAromatic
OADCBEdoub1.22Å1.20Å
CAOCBHsing1.40Å1.36ÅAromatic
CAICAHdoub1.38Å1.35ÅAromatic
CBHCBEsing1.48Å1.39Å
CBHCAJdoub1.40Å1.37ÅAromatic
CBENBPsing1.35Å1.34Å
CAHCAJsing1.38Å1.35ÅAromatic
NBPCAUsing1.47Å1.41Å
NBPCATsing1.47Å1.44Å
CAUCASsing1.53Å1.51Å
CASCBMsing1.53Å1.49Å
CATCARsing1.53Å1.50Å
FAFCBQsing1.40Å1.33Å
CARCBMsing1.53Å1.45Å
CBMOBCsing1.43Å1.41Å
FAECBQsing1.40Å1.33Å
CBQFAGsing1.40Å1.33Å
CBQCBLsing1.51Å1.43Å
OBCCBKsing1.36Å1.32Å
OACCBDdoub1.22Å1.19Å
CAQCBLdoub1.38Å1.39ÅAromatic
CAQCBIsing1.40Å1.40ÅAromatic
CBKCAPdoub1.38Å1.39ÅAromatic
CBKCBFsing1.39Å1.36ÅAromatic
CAACBFsing1.51Å1.35Å
CBLCBJsing1.38Å1.39ÅAromatic
CAPCBGsing1.39Å1.39ÅAromatic
CBFCAKdoub1.38Å1.35ÅAromatic
CBDCBIsing1.48Å1.42Å
CBDNBBsing1.35Å1.34Å
CBICAMdoub1.40Å1.37ÅAromatic
CBGNBBsing1.40Å1.34Å
CBGCALdoub1.39Å1.38ÅAromatic
CAKCALsing1.38Å1.37ÅAromatic
CBJCAZsing1.51Å1.40Å
CBJCANdoub1.38Å1.38ÅAromatic
CAZNBOsing1.47Å1.47Å
CAMCANsing1.38Å1.38ÅAromatic
NBOCAYsing1.47Å1.45Å
NBOCAXsing1.47Å1.42Å
CAYCAWsing1.53Å1.49Å
CAXCAVsing1.53Å1.52Å
CAWNBNsing1.47Å1.43Å
CAVNBNsing1.47Å1.45Å
NBNCABsing1.47Å1.46Å
CAXH1sing1.09Å1.10Å
CAXH2sing1.09Å1.10Å
CAVH3sing1.09Å1.10Å
CAVH4sing1.09Å1.10Å
CABH6sing1.09Å1.10Å
CABH7sing1.09Å1.10Å
CABH8sing1.09Å1.10Å
CAWH9sing1.09Å1.10Å
CAWH10sing1.09Å1.10Å
CAYH11sing1.09Å1.10Å
CAYH12sing1.09Å1.10Å
CAZH14sing1.09Å1.10Å
CAZH15sing1.09Å1.10Å
CAQH16sing1.08Å1.08Å
CANH17sing1.08Å1.08Å
CAMH18sing1.08Å1.08Å
NBBH19sing0.97Å1.00Å
CAPH20sing1.08Å1.08Å
CALH21sing1.08Å1.08Å
CAKH22sing1.08Å1.08Å
CAAH23sing1.09Å1.10Å
CAAH24sing1.09Å1.10Å
CAAH25sing1.09Å1.10Å
CBMH26sing1.09Å1.10Å
CASH27sing1.09Å1.10Å
CASH28sing1.09Å1.10Å
CAUH29sing1.09Å1.10Å
CAUH30sing1.09Å1.10Å
CARH31sing1.09Å1.10Å
CARH32sing1.09Å1.10Å
CATH33sing1.09Å1.10Å
CATH34sing1.09Å1.10Å
CAJH35sing1.08Å1.08Å
CAHH36sing1.08Å1.08Å
CAIH37sing1.08Å1.08Å
CAOH38sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAONBACAI123.4°121.9°
NBACAOCBH120.6°120.6°
NBACAOH38119.7°119.7°
NBACAICAH116.4°121.1°
NBACAIH37121.8°119.5°
OADCBECBH117.2°120.0°
OADCBENBP120.8°120.0°
CAOCBHCBE123.8°120.5°
CAOCBHCAJ114.9°118.9°
CBHCAOH38119.7°119.7°
CAICAHCAJ119.6°119.3°
CAICAHH36120.2°120.3°
CAHCAIH37121.8°119.5°
CBECBHCAJ121.1°120.6°
CBHCBENBP121.9°120.0°
CBHCAJCAH125.1°118.3°
CBHCAJH35117.5°120.8°
CBENBPCAU121.7°120.6°
CBENBPCAT123.3°120.6°
CAHCAJH35117.5°120.8°
CAJCAHH36120.2°120.4°
CAUNBPCAT115.0°118.8°
NBPCAUCAS111.8°108.8°
NBPCAUH29108.9°109.6°
NBPCAUH30108.9°109.7°
NBPCATCAR114.2°108.7°
NBPCATH33108.3°109.6°
NBPCATH34108.3°109.7°
CAUCASCBM113.2°109.3°
CAUCASH27108.5°109.5°
CAUCASH28108.5°109.5°
CASCAUH29108.9°109.6°
CASCAUH30108.9°109.6°
CASCBMCAR109.2°109.5°
CASCBMOBC112.4°109.5°
CASCBMH26107.6°109.4°
CBMCASH27108.5°109.5°
CBMCASH28108.6°109.5°
CATCARCBM112.2°109.3°
CATCARH31108.8°109.5°
CATCARH32108.8°109.5°
CARCATH33108.3°109.6°
CARCATH34108.3°109.6°
FAFCBQFAE109.5°109.5°
FAFCBQFAG109.5°109.5°
FAFCBQCBL108.8°109.5°
CARCBMOBC110.8°109.5°
CARCBMH26108.1°109.5°
CBMCARH31108.8°109.5°
CBMCARH32108.8°109.5°
CBMOBCCBK119.3°117.0°
OBCCBMH26108.6°109.4°
FAECBQFAG109.4°109.5°
FAECBQCBL109.6°109.5°
FAGCBQCBL110.0°109.4°
CBQCBLCAQ121.0°120.0°
CBQCBLCBJ119.4°119.9°
OBCCBKCAP127.7°120.0°
OBCCBKCBF112.9°120.0°
OACCBDCBI120.6°120.0°
OACCBDNBB120.2°119.9°
CBLCAQCBI124.2°119.9°
CAQCBLCBJ119.6°120.1°
CBLCAQH16117.9°120.1°
CAQCBICBD122.9°120.1°
CAQCBICAM114.5°119.7°
CBICAQH16117.9°120.1°
CAPCBKCBF119.4°120.0°
CBKCAPCBG122.9°119.9°
CBKCAPH20118.5°120.1°
CBKCBFCAA120.0°120.0°
CBKCBFCAK118.4°120.1°
CAACBFCAK121.7°120.0°
CBFCAAH23109.5°109.5°
CBFCAAH24109.5°109.5°
CBFCAAH25109.5°109.4°
CBLCBJCAZ122.2°119.9°
CBLCBJCAN117.2°120.3°
CAPCBGNBB128.5°120.1°
CAPCBGCAL115.2°119.9°
CBGCAPH20118.5°120.0°
CBFCAKCAL122.6°120.1°
CBFCAKH22118.7°119.9°
CBICBDNBB118.9°120.0°
CBDCBICAM122.6°120.1°
CBDNBBCBG122.6°120.0°
CBDNBBH19118.7°120.0°
CBICAMCAN122.6°119.8°
CBICAMH18118.7°120.1°
NBBCBGCAL116.2°120.0°
CBGNBBH19118.7°120.0°
CBGCALCAK121.4°120.1°
CBGCALH21119.3°120.0°
CAKCALH21119.3°120.0°
CALCAKH22118.7°119.9°
CAZCBJCAN120.6°119.9°
CBJCAZNBO115.4°109.5°
CBJCAZH14108.0°109.5°
CBJCAZH15108.0°109.4°
CBJCANCAM122.0°120.1°
CBJCANH17119.0°119.9°
CAZNBOCAY111.9°111.0°
CAZNBOCAX116.7°111.0°
NBOCAZH14107.9°109.5°
NBOCAZH15107.9°109.4°
CAMCANH17119.0°120.0°
CANCAMH18118.7°120.0°
CAYNBOCAX112.0°110.9°
NBOCAYCAW111.2°109.4°
NBOCAYH11109.1°109.5°
NBOCAYH12109.0°109.5°
NBOCAXCAV113.1°109.4°
NBOCAXH1108.5°109.5°
NBOCAXH2108.5°109.5°
CAYCAWNBN110.8°109.4°
CAYCAWH9109.1°109.5°
CAYCAWH10109.1°109.5°
CAWCAYH11109.0°109.5°
CAWCAYH12109.1°109.5°
CAXCAVNBN110.3°109.3°
CAVCAXH1108.6°109.5°
CAVCAXH2108.6°109.4°
CAXCAVH3109.2°109.5°
CAXCAVH4109.3°109.5°
CAWNBNCAV110.9°110.9°
CAWNBNCAB112.5°111.0°
NBNCAWH9109.1°109.5°
NBNCAWH10109.1°109.5°
CAVNBNCAB110.4°111.0°
NBNCAVH3109.3°109.5°
NBNCAVH4109.3°109.5°
NBNCABH6109.5°109.5°
NBNCABH7109.5°109.5°
NBNCABH8109.5°109.5°
H1CAXH2109.5°109.5°
H3CAVH4109.5°109.5°
H6CABH7109.5°109.5°
H6CABH8109.5°109.5°
H7CABH8109.5°109.4°
H9CAWH10109.5°109.4°
H11CAYH12109.5°109.5°
H14CAZH15109.5°109.4°
H23CAAH24109.4°109.4°
H23CAAH25109.4°109.5°
H24CAAH25109.5°109.5°
H27CASH28109.5°109.5°
H29CAUH30109.5°109.6°
H31CARH32109.5°109.5°
H33CATH34109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NBACAOCBHH38180.0°179.5°
CAONBACAICAH0.6°0.3°
NBACAOCBHCBE178.2°179.7°
NBACAOCBHCAJ3.4°0.5°
CAONBACAIH37179.4°179.7°
CAINBACAOCBH1.5°0.5°
NBACAICAHH37180.0°180.0°
NBACAICAHCAJ0.6°0.0°
NBACAICAHH36179.4°180.0°
CAINBACAOH38178.5°180.0°
OADCBECBHCAO49.0°41.1°
OADCBECBHNBP175.5°180.0°
OADCBECBHCAJ125.5°139.1°
OADCBENBPCAU2.6°4.0°
OADCBENBPCAT176.3°176.0°
CAOCBHCBECAJ174.5°179.8°
CAOCBHCBENBP135.5°138.9°
CAOCBHCAJCAH3.5°0.2°
CAOCBHCAJH35176.5°179.8°
CAICAHCAJCBH1.6°0.0°
CAICAHCAJH36180.0°180.0°
CAICAHCAJH35178.4°180.0°
CBECBHCAJCAH178.5°180.0°
CBHCBENBPCAU172.8°176.0°
CBHCBENBPCAT8.4°4.0°
CBECBHCAJH351.5°0.0°
CBECBHCAOH381.8°0.2°
CAJCBHCBENBP50.0°40.9°
CBHCAJCAHH35180.0°180.0°
CBHCAJCAHH36178.4°180.0°
CAJCBHCAOH38176.6°180.0°
CBENBPCAUCAT178.9°180.0°
CBENBPCAUCAS133.2°126.4°
CBENBPCATCAR133.3°126.4°
CBENBPCAUH2912.8°6.6°
CBENBPCAUH30106.5°113.8°
CBENBPCATH33106.0°113.9°
CBENBPCATH3412.6°6.5°
CAJCAHCAIH37179.4°180.0°
NBPCAUCASH29120.4°119.8°
NBPCAUCASH30120.3°119.9°
NBPCAUCASCBM52.4°54.6°
CAUNBPCATCAR47.8°53.6°
NBPCAUCASH2768.2°65.3°
NBPCAUCASH28172.9°174.6°
NBPCAUH29H30118.9°120.4°
CAUNBPCATH3372.9°66.2°
CAUNBPCATH34168.5°173.5°
CATNBPCAUCAS47.9°53.6°
NBPCATCARH33120.7°119.7°
NBPCATCARH34120.7°119.9°
NBPCATCARCBM50.6°54.6°
CATNBPCAUH29168.2°173.4°
CATNBPCAUH3072.5°66.2°
NBPCATCARH31171.0°174.6°
NBPCATCARH3269.8°65.4°
NBPCATH33H34117.8°120.4°
CAUCASCBMH27120.5°120.0°
CAUCASCBMH28120.6°120.0°
CAUCASCBMCAR55.1°61.4°
CAUCASCBMOBC68.2°178.6°
CAUCASCBMH26172.2°58.7°
CAUCASH27H28118.3°120.1°
CASCAUH29H30118.9°120.3°
CASCBMCARCAT53.3°61.4°
CASCBMCAROBC124.3°120.0°
CASCBMCARH26116.7°120.0°
CASCBMOBCH26118.9°119.9°
CASCBMOBCCBK73.8°156.2°
CBMCASH27H28118.3°120.1°
CBMCASCAUH29172.7°174.4°
CBMCASCAUH3068.0°65.3°
CASCBMCARH31173.7°178.7°
CASCBMCARH3267.1°58.6°
CATCARCBMH31120.4°119.9°
CATCARCBMH32120.4°120.0°
CATCARCBMOBC71.0°178.6°
CATCARCBMH26170.1°58.6°
CATCARH31H32118.8°120.0°
CARCATH33H34117.9°120.3°
FAFCBQFAEFAG120.0°120.0°
FAFCBQFAECBL119.3°120.0°
FAFCBQFAGCBL119.5°120.0°
FAFCBQCBLCAQ10.1°120.0°
FAFCBQCBLCBJ170.4°60.0°
CARCBMOBCH26118.6°120.0°
CARCBMOBCCBK163.7°83.8°
CARCBMCASH2765.4°58.6°
CARCBMCASH28175.7°178.6°
CBMCARH31H32118.8°120.1°
CBMCARCATH3370.1°65.1°
CBMCARCATH34171.3°174.6°
CBMOBCCBKCAP14.3°1.9°
CBMOBCCBKCBF166.1°178.1°
OBCCBMCASH27171.3°61.4°
OBCCBMCASH2852.3°58.6°
OBCCBMCARH3149.4°58.6°
OBCCBMCARH32168.6°61.4°
FAECBQFAGCBL120.4°120.0°
FAECBQCBLCAQ129.8°120.0°
FAECBQCBLCBJ50.7°60.0°
FAGCBQCBLCAQ109.8°0.0°
FAGCBQCBLCBJ69.6°180.0°
CBQCBLCAQCBJ179.5°180.0°
CBQCBLCAQCBI179.5°180.0°
CBQCBLCBJCAZ1.2°0.0°
CBQCBLCBJCAN179.2°179.8°
CBQCBLCAQH160.5°0.0°
OBCCBKCAPCBF179.6°180.0°
OBCCBKCBFCAA1.9°0.0°
OBCCBKCAPCBG177.7°180.0°
OBCCBKCBFCAK179.0°179.8°
OBCCBKCAPH202.3°0.1°
CBKOBCCBMH2645.1°36.2°
OACCBDCBICAQ20.5°0.1°
OACCBDCBINBB173.2°180.0°
OACCBDCBICAM159.1°179.7°
OACCBDNBBCBG11.8°5.2°
OACCBDNBBH19168.2°174.7°
CBLCAQCBIH16180.0°180.0°
CBLCAQCBICBD179.8°180.0°
CBLCAQCBICAM0.5°0.2°
CAQCBLCBJCAZ178.3°180.0°
CAQCBLCBJCAN1.3°0.3°
CBICAQCBLCBJ1.0°0.0°
CAQCBICBDCAM179.6°179.8°
CAQCBICBDNBB166.3°180.0°
CAQCBICAMCAN0.4°0.3°
CAQCBICAMH18179.6°179.8°
CAPCBKCBFCAA178.4°180.0°
CBKCAPCBGH20180.0°179.9°
CAPCBKCBFCAK0.7°0.2°
CBKCAPCBGNBB178.9°180.0°
CBKCAPCBGCAL2.3°0.4°
CBKCBFCAACAK179.1°179.8°
CBFCBKCAPCBG1.9°0.1°
CBKCBFCAKCAL0.0°0.2°
CBFCBKCAPH20178.1°179.9°
CBKCBFCAKH22180.0°179.8°
CBKCBFCAAH2390.4°90.3°
CBKCBFCAAH24149.6°29.7°
CBKCBFCAAH2529.6°149.7°
CAACBFCAKCAL179.1°180.0°
CAACBFCAKH220.9°0.0°
CBFCAAH23H24120.0°120.0°
CBFCAAH23H25120.0°120.0°
CBFCAAH24H25120.0°120.0°
CBLCBJCAZCAN179.6°179.8°
CBLCBJCAZNBO140.4°80.3°
CBLCBJCANCAM1.3°0.2°
CBLCBJCAZH1419.6°39.8°
CBLCBJCAZH1598.7°159.7°
CBJCBLCAQH16179.0°180.0°
CBLCBJCANH17178.7°179.7°
CAPCBGNBBCBD31.1°146.3°
CAPCBGNBBCAL176.6°179.6°
CAPCBGCALCAK1.6°0.3°
CAPCBGNBBH19148.9°33.6°
CAPCBGCALH21178.4°179.7°
CBFCAKCALCBG0.5°0.1°
CBFCAKCALH22180.0°180.0°
CBFCAKCALH21179.5°180.0°
CAKCBFCAAH2390.5°90.0°
CAKCBFCAAH2429.5°150.0°
CAKCBFCAAH25149.5°30.0°
CBICBDNBBCBG175.0°174.8°
CBDCBICAMCAN179.9°180.0°
CBDCBICAQH160.1°0.0°
CBDCBICAMH180.1°0.0°
CBICBDNBBH195.0°5.2°
NBBCBDCBICAM14.1°0.2°
CBDNBBCBGH19180.0°180.0°
CBDNBBCBGCAL145.5°34.0°
CBICAMCANCBJ0.9°0.1°
CBICAMCANH18180.0°180.0°
CAMCBICAQH16179.5°179.8°
CBICAMCANH17179.1°179.9°
NBBCBGCALCAK178.6°180.0°
NBBCBGCAPH201.1°0.1°
NBBCBGCALH211.4°0.0°
CBGCALCAKH21180.0°180.0°
CALCBGNBBH1934.5°146.0°
CALCBGCAPH20177.7°179.8°
CBGCALCAKH22179.5°180.0°
CBJCAZNBOH14120.9°120.1°
CBJCAZNBOH15120.9°119.9°
CAZCBJCANCAM178.3°180.0°
CBJCAZNBOCAY171.5°170.0°
CBJCAZNBOCAX57.6°66.2°
CBJCAZH14H15117.4°119.9°
CAZCBJCANH171.7°0.1°
CANCBJCAZNBO39.2°99.9°
CBJCANCAMH17180.0°179.9°
CANCBJCAZH14160.0°140.0°
CANCBJCAZH1581.7°20.0°
CBJCANCAMH18179.2°180.0°
CAZNBOCAYCAX133.2°123.9°
CAZNBOCAYCAW173.1°176.8°
CAZNBOCAXCAV177.1°176.8°
CAZNBOCAXH156.6°63.2°
CAZNBOCAXH262.3°56.8°
CAZNBOCAYH1166.7°56.7°
CAZNBOCAYH1252.8°63.2°
NBOCAZH14H15117.3°120.0°
NBOCAYCAWH11120.3°120.0°
NBOCAYCAWH12120.3°120.0°
CAYNBOCAXCAV52.1°59.3°
NBOCAYCAWNBN56.9°58.4°
CAYNBOCAXH1172.6°60.7°
CAYNBOCAXH268.5°179.2°
NBOCAYCAWH9177.1°61.6°
NBOCAYCAWH1063.2°178.4°
NBOCAYH11H12119.2°120.0°
CAYNBOCAZH1467.6°49.9°
CAYNBOCAZH1550.6°70.1°
CAXNBOCAYCAW53.7°59.3°
NBOCAXCAVH1120.5°120.0°
NBOCAXCAVH2120.5°119.9°
NBOCAXCAVNBN52.8°58.4°
NBOCAXH1H2118.3°120.0°
NBOCAXCAVH367.4°61.5°
NBOCAXCAVH4172.9°178.4°
CAXNBOCAYH1166.5°179.3°
CAXNBOCAYH12174.0°60.7°
CAXNBOCAZH1463.2°173.8°
CAXNBOCAZH15178.5°53.8°
CAYCAWNBNH9120.2°120.0°
CAYCAWNBNH10120.2°120.0°
CAYCAWNBNCAV58.4°59.3°
CAYCAWNBNCAB177.4°176.8°
CAYCAWH9H10119.4°120.1°
CAWCAYH11H12119.2°120.1°
CAXCAVNBNCAW55.4°59.3°
CAXCAVNBNH3120.1°119.9°
CAXCAVNBNH4120.1°120.0°
CAXCAVNBNCAB179.2°176.8°
CAVCAXH1H2118.4°120.0°
CAXCAVH3H4119.6°120.1°
CAWNBNCAVCAB125.4°123.9°
CAWNBNCAVH364.7°60.6°
CAWNBNCAVH4175.5°179.3°
CAWNBNCABH6180.0°176.2°
CAWNBNCABH760.0°56.2°
CAWNBNCABH860.0°63.8°
NBNCAWH9H10119.4°120.0°
NBNCAWCAYH1163.3°178.4°
NBNCAWCAYH12177.2°61.6°
NBNCAVCAXH1173.3°61.6°
NBNCAVCAXH267.8°178.4°
NBNCAVH3H4119.6°120.0°
CAVNBNCABH655.5°60.0°
CAVNBNCABH7175.5°180.0°
CAVNBNCABH864.5°60.0°
CAVNBNCAWH9178.6°60.7°
CAVNBNCAWH1061.8°179.3°
CABNBNCAVH360.7°63.2°
CABNBNCAVH459.1°56.9°
NBNCABH6H7120.0°120.0°
NBNCABH6H8120.0°120.0°
NBNCABH7H8120.0°120.0°
CABNBNCAWH957.2°63.2°
CABNBNCAWH1062.4°56.8°
H1CAXCAVH353.2°178.4°
H1CAXCAVH466.6°58.3°
H2CAXCAVH3172.1°58.4°
H2CAXCAVH452.4°61.7°
H6CABH7H8120.0°120.0°
H9CAWCAYH1156.9°58.4°
H9CAWCAYH1262.6°178.4°
H10CAWCAYH11176.5°61.6°
H10CAWCAYH1257.0°58.4°
H17CANCAMH180.9°0.1°
H21CALCAKH220.5°0.0°
H23CAAH24H25120.0°120.0°
H26CBMCASH2751.7°178.6°
H26CBMCASH2867.2°61.3°
H26CBMCARH3169.6°61.3°
H26CBMCARH3249.7°178.6°
H27CASCAUH2952.2°54.5°
H27CASCAUH30171.5°174.7°
H28CASCAUH2966.7°65.6°
H28CASCAUH3052.6°54.7°
H31CARCATH3350.3°54.9°
H31CARCATH3468.3°65.4°
H32CARCATH33169.5°174.9°
H32CARCATH3450.9°54.6°
H35CAJCAHH361.6°0.0°
H36CAHCAIH370.6°0.0°

224931

PDB entries from 2024-09-11

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