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UMR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAANABsing1.46Å1.45Å
NABSACdoub1.49Å1.58Å
OADSACdoub1.42Å1.50Å
SACCAYsing1.76Å1.79Å
SACNsing1.66Å1.71Å
CAYCBFdoub1.38Å1.40ÅAromatic
CAYCAZsing1.38Å1.41ÅAromatic
CBFCBDsing1.38Å1.42ÅAromatic
CACBsing1.52Å1.49Å
CANsing1.46Å1.47Å
CACsing1.51Å1.46Å
CBCAHsing1.51Å1.51Å
NCAFsing1.46Å1.46Å
CAZCBAdoub1.38Å1.41ÅAromatic
OCdoub1.22Å1.25Å
CASCATdoub1.39Å1.41ÅAromatic
CASCARsing1.39Å1.34ÅAromatic
CBDCLBEsing1.74Å1.62Å
CBDCBCdoub1.38Å1.40ÅAromatic
CNAMsing1.34Å1.35Å
CATCAOsing1.38Å1.37ÅAromatic
CBACBCsing1.38Å1.38ÅAromatic
CBACLBBsing1.74Å1.82Å
CAHCAGsing1.52Å1.51Å
CAFCAGsing1.51Å1.54Å
CAFCAVsing1.52Å1.53Å
CARCAQdoub1.38Å1.35ÅAromatic
NAMCAUsing1.46Å1.50Å
NAMCANsing1.48Å1.49Å
CAOCANsing1.51Å1.46Å
CAONAPdoub1.32Å1.30ÅAromatic
CAUCAVsing1.52Å1.55Å
CAVCAWsing1.51Å1.50Å
CAQNAPsing1.32Å1.40ÅAromatic
CAWCAXdoub1.31Å1.44Å
CAZHAZsing1.08Å1.08Å
CBCHBCsing1.08Å1.08Å
CBFHBFsing1.08Å1.08Å
CAAHABsing1.09Å1.10Å
CAAHACsing1.09Å1.10Å
CAAHAAsing1.09Å1.10Å
CAHAsing1.10Å1.10Å
CBHB1sing1.09Å1.10Å
CBHB2sing1.11Å1.10Å
CAHHAIsing1.10Å1.10Å
CAHHAJsing1.10Å1.10Å
CAGHAGsing1.10Å1.10Å
CAGHAHsing1.10Å1.10Å
CAFHAFsing1.11Å1.10Å
CAVHAVsing1.10Å1.10Å
CAWHAWsing1.08Å1.08Å
CAXHAXsing1.08Å1.08Å
CAXHB5sing1.08Å1.08Å
CAUHB4sing1.09Å1.10Å
CAUHAUsing1.10Å1.10Å
CANHANsing1.09Å1.10Å
CANHB3sing1.09Å1.10Å
CAQHAQsing1.08Å1.08Å
CARHARsing1.08Å1.08Å
CASHASsing1.08Å1.08Å
CATHATsing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAANABSAC116.8°120.0°
NABCAAHAB109.5°109.5°
NABCAAHAC109.5°109.5°
NABCAAHAA109.5°109.5°
NABSACOAD117.6°109.5°
NABSACCAY110.0°109.4°
NABSACN107.0°109.5°
OADSACCAY107.9°109.5°
OADSACN112.8°109.5°
CAYSACN100.2°109.5°
SACCAYCBF122.9°120.0°
SACCAYCAZ117.1°120.0°
SACNCA120.1°120.5°
SACNCAF115.1°120.3°
CBFCAYCAZ119.6°120.0°
CAYCBFCBD119.9°120.0°
CAYCBFHBF120.1°120.0°
CAYCAZCBA118.5°120.0°
CAYCAZHAZ120.8°120.0°
CBFCBDCLBE116.1°120.0°
CBFCBDCBC120.8°120.0°
CBDCBFHBF120.1°120.0°
CBCAN110.2°111.2°
CBCAC113.3°107.9°
CACBCAH107.4°115.2°
CBCAHA107.2°110.2°
CACBHB1110.0°110.2°
CACBHB2110.0°107.3°
NCAC110.9°108.2°
CANCAF118.6°119.2°
NCAHA107.4°109.9°
CACO120.7°119.4°
CACNAM125.8°121.1°
CCAHA107.5°109.4°
CBCAHCAG107.8°117.2°
CAHCBHB1110.0°110.8°
CAHCBHB2110.0°107.7°
CBCAHHAI109.9°108.6°
CBCAHHAJ109.9°108.5°
NCAFCAG108.9°110.2°
NCAFCAV107.7°113.4°
NCAFHAF109.5°106.0°
CAZCBACBC123.0°120.0°
CAZCBACLBB115.1°120.0°
CBACAZHAZ120.8°120.0°
OCNAM113.1°119.5°
CATCASCAR118.2°118.5°
CASCATCAO121.2°119.1°
CATCASHAS120.9°120.8°
CASCATHAT119.4°120.4°
CASCARCAQ120.2°119.1°
CASCARHAR119.9°120.4°
CARCASHAS120.9°120.7°
CLBECBDCBC123.0°120.0°
CBDCBCCBA118.0°119.9°
CBDCBCHBC121.0°120.0°
CNAMCAU126.1°124.1°
CNAMCAN119.4°117.6°
CATCAOCAN121.8°119.6°
CATCAONAP119.3°120.8°
CAOCATHAT119.4°120.5°
CBCCBACLBB121.9°119.9°
CBACBCHBC121.0°120.1°
CAHCAGCAF109.2°113.6°
CAGCAHHAI109.9°108.0°
CAGCAHHAJ109.9°108.0°
CAHCAGHAG109.6°108.9°
CAHCAGHAH109.6°108.9°
CAGCAFCAV113.7°114.1°
CAFCAGHAG109.5°108.9°
CAFCAGHAH109.5°108.9°
CAGCAFHAF108.4°106.2°
CAFCAVCAU113.1°112.5°
CAFCAVCAW110.6°109.8°
CAVCAFHAF108.6°106.3°
CAFCAVHAV109.5°108.3°
CARCAQNAP120.6°120.7°
CARCAQHAQ119.7°119.6°
CAQCARHAR119.9°120.4°
CAUNAMCAN114.3°118.3°
NAMCAUCAV109.3°112.4°
NAMCAUHB4109.5°111.3°
NAMCAUHAU109.5°108.0°
NAMCANCAO112.0°109.5°
NAMCANHAN108.8°109.5°
NAMCANHB3108.8°109.4°
CANCAONAP119.0°119.7°
CAOCANHAN108.8°109.5°
CAOCANHB3108.8°109.4°
CAONAPCAQ120.5°121.8°
CAUCAVCAW104.5°110.4°
CAUCAVHAV109.2°108.1°
CAVCAUHB4109.5°110.1°
CAVCAUHAU109.5°108.2°
CAVCAWCAX127.4°120.0°
CAWCAVHAV109.8°107.6°
CAVCAWHAW116.3°120.0°
NAPCAQHAQ119.7°119.7°
CAXCAWHAW116.3°120.1°
CAWCAXHAX120.0°120.0°
CAWCAXHB5120.0°120.0°
HABCAAHAC109.5°109.4°
HABCAAHAA109.5°109.5°
HACCAAHAA109.5°109.5°
HB1CBHB2109.5°105.0°
HAICAHHAJ109.5°105.9°
HAGCAGHAH109.5°107.5°
HAXCAXHB5120.0°120.0°
HB4CAUHAU109.5°106.7°
HANCANHB3109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAANABSACOAD58.0°113.1°
CAANABSACCAY66.1°6.8°
CAANABSACN174.0°126.8°
NABCAAHABHAC120.0°120.0°
NABCAAHABHAA120.0°120.1°
NABCAAHACHAA120.0°120.0°
NABSACOADCAY125.1°119.9°
NABSACOADN125.2°120.0°
NABSACCAYN112.4°120.0°
NABSACCAYCBF37.6°133.7°
NABSACCAYCAZ149.0°45.9°
NABSACNCA26.0°119.8°
NABSACNCAF178.0°60.1°
SACNABCAAHAB180.0°54.4°
SACNABCAAHAC60.0°174.3°
SACNABCAAHAA60.0°65.7°
OADSACCAYN118.1°120.0°
OADSACCAYCBF167.1°13.8°
OADSACCAYCAZ19.6°165.8°
OADSACNCA104.8°120.2°
OADSACNCAF47.2°60.0°
SACCAYCBFCAZ173.2°179.6°
SACCAYCBFCBD171.3°179.9°
CAYSACNCA140.8°0.1°
CAYSACNCAF67.2°180.0°
SACCAYCAZCBA171.9°180.0°
SACCAYCAZHAZ8.1°0.2°
SACCAYCBFHBF8.7°0.2°
NSACCAYCBF74.8°106.3°
NSACCAYCAZ98.6°74.1°
SACNCACB100.0°144.4°
SACNCACAF151.0°179.9°
SACNCAC133.7°97.3°
SACNCAFCAG105.5°118.6°
SACNCAFCAV130.8°112.2°
SACNCAHA16.5°22.1°
SACNCAFHAF12.8°4.1°
CAYCBFCBDHBF180.0°179.8°
CBFCAYCAZCBA1.7°0.5°
CAYCBFCBDCLBE179.8°179.8°
CAYCBFCBDCBC3.7°0.2°
CBFCAYCAZHAZ178.3°179.8°
CAZCAYCBFCBD1.9°0.5°
CAYCAZCBAHAZ180.0°179.8°
CAYCAZCBACBC3.5°0.2°
CAYCAZCBACLBB176.5°179.8°
CAZCAYCBFHBF178.1°179.8°
CBFCBDCLBECBC176.5°180.0°
CBFCBDCBCCBA5.2°0.0°
CBFCBDCBCHBC174.8°180.0°
CBCANC126.3°118.3°
CBCANHA116.5°122.3°
CBCACHA118.3°119.9°
CACBCAHHB1119.7°126.0°
CACBCAHHB2119.7°119.7°
CBCANCAF51.0°35.5°
CBCACO60.1°123.8°
CBCACNAM127.5°56.2°
CACBCAHCAG67.4°43.5°
CACBHB1HB2121.0°115.2°
CACBCAHHAI52.3°166.2°
CACBCAHHAJ172.8°79.2°
NCACHA117.1°119.7°
NCACBCAH58.2°17.0°
NCACO175.3°115.8°
NCACNAM2.9°64.3°
CANCAFCAG46.9°61.3°
CANCAFCAV76.8°68.0°
NCACBHB1177.9°109.3°
NCACBHB261.4°136.9°
CANCAFHAF165.3°175.8°
CCACBCAH66.7°135.5°
CCANCAF75.3°82.8°
CACONAM173.3°180.0°
CACNAMCAU12.8°1.8°
CACNAMCAN172.6°177.2°
CCACBHB152.9°9.2°
CCACBHB2173.6°104.6°
CBCAHCAGHAI119.8°123.0°
CBCAHCAGHAJ119.7°122.9°
CBCAHCAGCAF64.7°17.8°
CAHCBCAHA174.8°105.1°
CAHCBHB1HB2121.0°116.0°
CBCAHHAIHAJ120.8°116.4°
CBCAHCAGHAG175.3°103.7°
CBCAHCAGHAH55.3°139.3°
NCAFCAGCAH52.3°30.5°
NCAFCAGCAV120.1°128.9°
NCAFCAGHAF119.1°114.4°
NCAFCAVHAF118.5°116.0°
NCAFCAVCAU16.2°61.7°
NCAFCAVCAW133.0°61.7°
CAFNCAHA167.5°157.8°
NCAFCAGHAG172.3°152.0°
NCAFCAGHAH67.7°91.0°
NCAFCAVHAV105.9°178.9°
CAZCBACBCCBD5.2°0.0°
CAZCBACBCCLBB180.0°180.0°
CAZCBACBCHBC174.8°180.0°
OCNAMCAU174.3°178.3°
OCNAMCAN0.3°2.7°
OCCAHA58.2°3.9°
CATCASCARHAS180.0°179.5°
CASCATCAOHAT180.0°179.5°
CATCASCARCAQ0.3°0.3°
CASCATCAOCAN179.4°179.7°
CASCATCAONAP2.2°0.5°
CATCASCARHAR179.7°179.8°
CARCASCATCAO1.9°0.5°
CASCARCAQHAR180.0°180.0°
CASCARCAQNAP1.1°0.0°
CASCARCAQHAQ178.9°180.0°
CARCASCATHAT178.0°180.0°
CLBECBDCBCCBA178.5°180.0°
CLBECBDCBCHBC1.5°0.0°
CLBECBDCBFHBF0.2°0.0°
CBDCBCCBAHBC180.0°180.0°
CBDCBCCBACLBB174.8°180.0°
CBCCBDCBFHBF176.3°180.0°
CNAMCAUCAN174.9°179.0°
CNAMCANCAO119.4°90.0°
CNAMCAUCAV49.3°64.6°
NAMCCAHA114.2°176.1°
CNAMCAUHB470.7°59.4°
CNAMCAUHAU169.2°176.2°
CNAMCANHAN1.0°149.9°
CNAMCANHB3120.3°29.9°
CATCAOCANNAM41.9°94.8°
CATCAOCANNAP178.4°179.8°
CATCAONAPCAQ0.8°0.2°
CATCAOCANHAN78.5°25.3°
CATCAOCANHB3162.3°145.3°
CAOCATCASHAS178.1°180.0°
CBCCBACAZHAZ176.5°180.0°
CLBBCBACAZHAZ3.5°0.0°
CLBBCBACBCHBC5.2°0.0°
CAHCAGCAFHAG120.0°121.5°
CAHCAGCAFHAH120.0°121.5°
CAHCAGCAFCAV67.8°98.4°
CAGCAHCBHB1172.9°82.5°
CAGCAHCBHB252.2°163.2°
CAGCAHHAIHAJ120.7°115.5°
CAHCAGHAGHAH120.1°117.8°
CAHCAGCAFHAF171.3°144.8°
CAGCAFCAVHAF120.7°116.7°
CAGCAFCAVCAU137.0°65.6°
CAGCAFCAVCAW106.2°171.1°
CAFCAGCAHHAI55.1°140.8°
CAFCAGCAHHAJ175.5°105.1°
CAFCAGHAGHAH120.1°117.8°
CAGCAFCAVHAV14.9°53.9°
CAFCAVCAUNAM79.1°78.4°
CAFCAVCAUCAW120.4°123.0°
CAFCAVCAUHAV122.2°119.5°
CAFCAVCAWHAV121.0°117.6°
CAFCAVCAWCAX19.0°120.0°
CAVCAFCAGHAG52.2°23.1°
CAVCAFCAGHAH172.2°140.1°
CAFCAVCAWHAW161.0°60.0°
CAFCAVCAUHB440.8°46.2°
CAFCAVCAUHAU160.9°162.5°
CARCAQNAPCAO0.8°0.1°
CARCAQNAPHAQ180.0°179.9°
CAQCARCASHAS179.7°179.7°
CAUNAMCANCAO65.4°89.1°
NAMCAUCAVHB4120.0°124.7°
NAMCAUCAVHAU120.0°119.1°
NAMCAUCAVCAW160.5°44.6°
NAMCAUCAVHAV43.1°162.1°
NAMCAUHB4HAU120.1°117.5°
CAUNAMCANHAN174.2°31.0°
CAUNAMCANHB355.0°151.0°
NAMCANCAOHAN120.4°120.1°
NAMCANCAOHB3120.4°119.9°
NAMCANCAONAP139.7°85.0°
CANNAMCAUCAV125.6°116.4°
CANNAMCAUHB4114.4°119.6°
CANNAMCAUHAU5.6°2.8°
NAMCANHANHB3118.8°120.0°
CANCAONAPCAQ179.3°180.0°
CAOCANHANHB3118.9°120.0°
CANCAOCATHAT0.6°0.2°
NAPCAOCANHAN99.9°155.0°
NAPCAOCANHB319.4°35.0°
CAONAPCAQHAQ179.2°180.0°
NAPCAOCATHAT177.8°180.0°
CAUCAVCAWHAV117.0°117.8°
CAUCAVCAWCAX141.0°115.4°
CAUCAVCAFHAF102.3°177.7°
CAUCAVCAWHAW39.0°64.7°
CAVCAUHB4HAU120.1°117.2°
CAVCAWCAXHAW180.0°180.0°
CAWCAVCAFHAF14.5°54.4°
CAVCAWCAXHAX180.0°180.0°
CAVCAWCAXHB50.0°0.1°
CAWCAVCAUHB479.5°169.3°
CAWCAVCAUHAU40.5°74.5°
NAPCAQCARHAR178.9°179.9°
CAXCAWCAVHAV102.0°2.4°
CAWCAXHAXHB5180.0°179.9°
HABCAAHACHAA120.0°120.0°
HACACBHB165.5°128.5°
HACACBHB255.2°14.8°
HB1CBCAHHAI67.3°40.2°
HB1CBCAHHAJ53.2°154.8°
HB2CBCAHHAI172.0°74.2°
HB2CBCAHHAJ67.5°40.5°
HAICAHCAGHAG64.9°19.3°
HAICAHCAGHAH175.0°97.7°
HAJCAHCAGHAG55.6°133.4°
HAJCAHCAGHAH64.5°16.4°
HAGCAGCAFHAF68.7°93.6°
HAHCAGCAFHAF51.4°23.3°
HAFCAFCAVHAV135.6°62.8°
HAVCAVCAWHAW78.0°177.6°
HAVCAVCAUHB4163.1°73.3°
HAVCAVCAUHAU76.9°42.9°
HAWCAWCAXHAX0.0°0.0°
HAWCAWCAXHB5180.0°180.0°
HAQCAQCARHAR1.1°0.0°
HARCARCASHAS0.3°0.3°
HASCASCATHAT2.0°0.5°

221716

PDB entries from 2024-06-26

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