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PRD_002076

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAJCAHdoub1.38Å1.39ÅAromatic
CAJCAVsing1.38Å1.40ÅAromatic
CAHCAGsing1.38Å1.40ÅAromatic
CAGCAIdoub1.38Å1.40ÅAromatic
CAICAKsing1.38Å1.40ÅAromatic
CAKCAVdoub1.38Å1.40ÅAromatic
CAVCAMsing1.51Å1.54Å
CAMCAPsing1.53Å1.53Å
CAPCAXsing1.53Å1.54Å
CAXCASsing1.51Å1.55Å
CAXNsing1.47Å1.49Å
CASOAEsing1.34Å1.25Å
CASOABdoub1.21Å1.24Å
NCAsing1.47Å1.47Å
CACBsing1.53Å1.53Å
CACsing1.51Å1.54Å
COdoub1.21Å1.23Å
CNBBsing1.35Å1.35Å
NBBCBAsing1.47Å1.48Å
NBBCAZsing1.47Å1.49Å
CBACAOsing1.55Å1.54Å
CBACAYsing1.55Å1.54Å
CAOCALsing1.55Å1.53Å
CALCANsing1.54Å1.54Å
CANCAYsing1.54Å1.54Å
CAYCAQsing1.55Å1.53Å
CAQCAZsing1.55Å1.53Å
CAZCATsing1.51Å1.55Å
CATOAFsing1.34Å1.25Å
CATOACdoub1.21Å1.25Å
CAJHAJsing1.08Å1.08Å
CAHHAHsing1.08Å1.08Å
CAGHAGsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
CAMHAM1sing1.09Å1.10Å
CAMHAM2sing1.09Å1.10Å
CAPHAP1sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
CAXHAXsing1.09Å1.10Å
NHsing1.01Å1.00Å
OAEHAEsing0.97Å0.95Å
CAHAsing1.09Å1.10Å
CBHB1Csing1.09Å1.10Å
CBHB2Csing1.09Å1.10Å
CBHB3Csing1.09Å1.10Å
CBAHBAsing1.09Å1.10Å
CAZHAZsing1.09Å1.10Å
CAOHAO1sing1.09Å1.10Å
CAOHAO2sing1.09Å1.10Å
CAYHAYsing1.09Å1.10Å
CALHAL1sing1.09Å1.10Å
CALHAL2sing1.09Å1.10Å
CANHAN1sing1.09Å1.10Å
CANHAN2sing1.09Å1.10Å
CAQHAQ1sing1.09Å1.10Å
CAQHAQ2sing1.09Å1.10Å
OAFHAFsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAHCAJCAV120.3°120.0°
CAJCAHCAG119.6°120.0°
CAHCAJHAJ119.9°120.0°
CAJCAHHAH120.2°120.0°
CAJCAVCAK119.9°120.0°
CAJCAVCAM121.5°120.0°
CAVCAJHAJ119.8°120.0°
CAHCAGCAI120.4°120.0°
CAGCAHHAH120.2°119.9°
CAHCAGHAG119.8°120.0°
CAGCAICAK119.8°120.0°
CAICAGHAG119.8°120.0°
CAGCAIHAI120.1°120.0°
CAICAKCAV120.0°120.0°
CAKCAIHAI120.1°120.0°
CAICAKHAK120.0°120.0°
CAKCAVCAM118.6°120.0°
CAVCAKHAK120.0°120.1°
CAVCAMCAP115.6°109.4°
CAVCAMHAM1107.5°109.5°
CAVCAMHAM2106.1°109.5°
CAMCAPCAX112.1°109.5°
CAPCAMHAM1107.5°109.4°
CAPCAMHAM2106.1°109.5°
CAMCAPHAP1108.6°109.5°
CAMCAPHAP2108.1°109.5°
CAPCAXCAS113.8°109.5°
CAPCAXN109.4°109.5°
CAXCAPHAP1108.6°109.4°
CAXCAPHAP2108.0°109.5°
CAPCAXHAX108.0°109.5°
CASCAXN113.6°109.4°
CAXCASOAE119.7°120.0°
CAXCASOAB115.7°120.0°
CASCAXHAX103.3°109.5°
CAXNCA119.6°111.0°
NCAXHAX108.3°109.5°
CAXNH106.2°111.0°
OAECASOAB124.6°119.9°
CASOAEHAE109.5°117.0°
NCACB109.1°109.5°
NCAC107.6°109.4°
CANH106.2°111.0°
NCAHA110.8°109.5°
CBCAC109.1°109.5°
CBCAHA109.4°109.5°
CACBHB1C109.5°109.5°
CACBHB2C109.5°109.5°
CACBHB3C109.5°109.4°
CACO118.2°120.0°
CACNBB123.6°120.0°
CCAHA110.8°109.4°
OCNBB118.1°120.0°
CNBBCBA126.1°125.6°
CNBBCAZ122.7°125.5°
CBANBBCAZ111.0°108.9°
NBBCBACAO111.6°108.7°
NBBCBACAY103.8°107.1°
NBBCBAHBA110.5°111.8°
NBBCAZCAQ104.5°104.9°
NBBCAZCAT112.0°110.4°
NBBCAZHAZ111.8°110.4°
CAOCBACAY105.2°104.3°
CBACAOCAL105.8°103.2°
CAOCBAHBA109.2°111.9°
CBACAOHAO1110.7°110.7°
CBACAOHAO2111.5°110.6°
CBACAYCAN105.7°106.7°
CBACAYCAQ104.6°103.0°
CAYCBAHBA116.3°112.7°
CBACAYHAY115.2°112.4°
CAOCALCAN106.5°104.2°
CALCAOHAO1110.7°110.7°
CALCAOHAO2111.5°110.7°
CAOCALHAL1110.5°110.5°
CAOCALHAL2111.1°110.5°
CALCANCAY107.7°106.7°
CANCALHAL1110.5°110.5°
CANCALHAL2111.1°110.5°
CALCANHAN1110.0°110.0°
CALCANHAN2110.5°110.1°
CANCAYCAQ110.4°109.1°
CANCAYHAY109.9°112.3°
CAYCANHAN1110.0°110.0°
CAYCANHAN2110.5°110.0°
CAYCAQCAZ102.9°101.9°
CAQCAYHAY110.9°112.8°
CAYCAQHAQ1111.7°111.0°
CAYCAQHAQ2113.1°110.9°
CAQCAZCAT111.5°110.4°
CAQCAZHAZ112.3°110.2°
CAZCAQHAQ1111.8°111.1°
CAZCAQHAQ2113.1°110.8°
CAZCATOAF117.5°120.0°
CAZCATOAC117.9°120.0°
CATCAZHAZ104.8°110.4°
OAFCATOAC124.6°120.0°
CATOAFHAF109.5°117.0°
HAM1CAMHAM2114.4°109.5°
HAP1CAPHAP2111.5°109.5°
HB1CCBHB2C109.5°109.5°
HB1CCBHB3C109.4°109.5°
HB2CCBHB3C109.5°109.5°
HAO1CAOHAO2106.7°110.8°
HAL1CALHAL2107.2°110.5°
HAN1CANHAN2108.1°110.1°
HAQ1CAQHAQ2104.5°110.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAHCAJCAVHAJ180.0°179.9°
CAJCAHCAGHAH180.0°180.0°
CAJCAHCAGCAI0.1°0.0°
CAHCAJCAVCAK0.6°0.0°
CAHCAJCAVCAM178.9°179.7°
CAJCAHCAGHAG179.9°180.0°
CAVCAJCAHCAG0.4°0.0°
CAJCAVCAKCAI0.4°0.1°
CAJCAVCAKCAM178.4°179.8°
CAJCAVCAMCAP49.9°90.2°
CAVCAJCAHHAH179.6°180.0°
CAJCAVCAKHAK179.6°179.7°
CAJCAVCAMHAM1169.9°29.8°
CAJCAVCAMHAM267.3°149.8°
CAHCAGCAIHAG180.0°180.0°
CAHCAGCAICAK0.3°0.0°
CAGCAHCAJHAJ179.6°179.9°
CAHCAGCAIHAI179.7°179.9°
CAGCAICAKHAI180.0°179.9°
CAGCAICAKCAV0.1°0.1°
CAICAGCAHHAH179.9°180.0°
CAGCAICAKHAK179.9°179.7°
CAICAKCAVHAK180.0°179.6°
CAICAKCAVCAM178.8°179.7°
CAKCAICAGHAG179.7°179.9°
CAKCAVCAMCAP131.8°90.0°
CAKCAVCAJHAJ179.4°179.9°
CAVCAKCAIHAI179.9°180.0°
CAKCAVCAMHAM111.8°150.0°
CAKCAVCAMHAM2111.0°30.0°
CAVCAMCAPHAM1120.0°120.0°
CAVCAMCAPHAM2117.2°120.0°
CAVCAMCAPCAX136.9°180.0°
CAMCAVCAJHAJ1.1°0.3°
CAMCAVCAKHAK1.3°0.1°
CAVCAMHAM1HAM2117.5°120.0°
CAVCAMCAPHAP116.9°60.1°
CAVCAMCAPHAP2104.2°59.9°
CAMCAPCAXHAP1120.0°120.0°
CAMCAPCAXHAP2118.9°120.1°
CAMCAPCAXCAS54.2°175.1°
CAMCAPCAXN177.6°65.0°
CAPCAMHAM1HAM2117.5°120.0°
CAMCAPHAP1HAP2119.0°120.1°
CAMCAPCAXHAX59.9°55.0°
CAPCAXCASN126.1°120.0°
CAPCAXCASHAX116.8°120.0°
CAPCAXNHAX117.5°120.0°
CAPCAXCASOAE38.1°60.0°
CAPCAXCASOAB140.5°120.0°
CAPCAXNCA133.5°155.0°
CAXCAPCAMHAM1103.1°60.0°
CAXCAPCAMHAM219.7°60.0°
CAXCAPHAP1HAP2118.9°120.0°
CAPCAXNH106.5°31.1°
CASCAXNHAX114.1°120.0°
CAXCASOAEOAB178.4°180.0°
CASCAXNCA5.1°85.1°
CASCAXCAPHAP1174.2°65.0°
CASCAXCAPHAP264.7°55.0°
CASCAXNH125.1°151.0°
CAXCASOAEHAE178.4°180.0°
NCAXCASOAE88.0°180.0°
NCAXCASOAB93.4°0.0°
CAXNCAH120.0°123.9°
CAXNCACB132.7°85.0°
CAXNCAC109.1°155.0°
NCAXCAPHAP157.5°55.0°
NCAXCAPHAP263.5°174.9°
CAXNCAHA12.2°35.1°
OAECASCAXHAX154.9°60.0°
OABCASCAXHAX23.7°120.0°
OABCASOAEHAE0.0°0.0°
NCACBC117.3°120.0°
NCACBHA121.3°120.1°
NCACHA121.3°120.0°
NCACO26.6°6.4°
NCACNBB155.2°173.7°
CANCAXHAX109.0°35.0°
NCACBHB1C17.2°59.9°
NCACBHB2C137.2°180.0°
NCACBHB3C102.8°60.0°
CBCACHA120.5°120.0°
CBCACO91.6°113.7°
CBCACNBB86.6°66.3°
CBCANH12.7°38.9°
CACBHB1CHB2C120.0°120.1°
CACBHB1CHB3C120.0°120.0°
CACBHB2CHB3C120.0°119.9°
CACONBB178.3°179.9°
CACNBBCBA4.2°177.7°
CACNBBCAZ178.3°2.0°
CCANH130.9°81.1°
CCACBHB1C100.1°60.0°
CCACBHB2C19.9°60.0°
CCACBHB3C139.9°180.0°
OCNBBCBA177.6°2.4°
OCNBBCAZ3.5°177.9°
OCCAHA147.9°126.3°
CNBBCBACAZ174.7°179.7°
CNBBCBACAO82.4°65.8°
CNBBCBACAY164.8°178.0°
CNBBCAZCAQ172.1°155.4°
CNBBCAZCAT51.2°36.5°
NBBCCAHA33.9°53.7°
CNBBCBAHBA39.4°58.2°
CNBBCAZHAZ66.1°85.9°
NBBCBACAOCAY112.0°114.0°
NBBCBACAOHBA122.5°123.9°
NBBCBACAYHBA121.6°123.3°
NBBCBACAOCAL142.2°150.2°
NBBCBACAYCAN145.4°136.1°
NBBCBACAYCAQ28.9°21.3°
CBANBBCAZCAQ13.0°24.3°
CBANBBCAZCAT133.9°143.2°
CBANBBCAZHAZ108.8°94.4°
NBBCBACAOHAO197.8°91.4°
NBBCBACAOHAO220.8°31.8°
NBBCBACAYHAY93.1°100.4°
CAZNBBCBACAO103.0°113.9°
CAZNBBCBACAY9.9°1.8°
NBBCAZCAQCAY30.4°36.7°
NBBCAZCAQCAT121.2°118.9°
NBBCAZCAQHAZ121.4°118.8°
NBBCAZCATHAZ121.5°122.3°
NBBCAZCATOAF140.4°131.5°
NBBCAZCATOAC37.1°48.5°
CAZNBBCBAHBA135.3°122.1°
NBBCAZCAQHAQ1150.3°155.0°
NBBCAZCAQHAQ292.0°81.3°
CAOCBACAYHBA121.0°121.6°
CBACAOCALHAO1120.0°118.4°
CBACAOCALHAO2121.4°118.4°
CBACAOCALCAN20.6°37.8°
CAOCBACAYCAN28.0°21.0°
CAOCBACAYCAQ88.5°93.9°
CBACAOHAO1HAO2121.5°123.1°
CAOCBACAYHAY149.6°144.5°
CBACAOCALHAL199.4°80.9°
CBACAOCALHAL2141.7°156.5°
CAYCBACAOCAL30.2°36.2°
CBACAYCANCAL15.4°2.5°
CBACAYCANCAQ112.5°110.7°
CBACAYCANHAY124.9°123.6°
CBACAYCAQHAY124.8°121.4°
CBACAYCAQCAZ36.8°34.8°
CAYCBACAOHAO1150.2°154.7°
CAYCBACAOHAO291.2°82.2°
CBACAYCANHAN1104.5°121.7°
CBACAYCANHAN2136.1°116.9°
CBACAYCAQHAQ1156.8°153.1°
CBACAYCAQHAQ285.6°83.1°
CAOCALCANHAL1120.0°118.7°
CAOCALCANHAL2121.1°118.6°
CAOCALCANCAY3.2°25.0°
CALCAOCBAHBA95.3°85.9°
CALCAOHAO1HAO2121.5°123.2°
CAOCALHAL1HAL2121.2°122.6°
CAOCALCANHAN1123.2°144.2°
CAOCALCANHAN2117.5°94.3°
CALCANCAYHAN1120.0°119.3°
CALCANCAYHAN2120.7°119.3°
CALCANCAYCAQ97.0°113.1°
CANCALCAOHAO1140.6°156.3°
CANCALCAOHAO2100.8°80.5°
CALCANCAYHAY140.3°121.1°
CANCALHAL1HAL2121.2°122.6°
CALCANHAN1HAN2120.7°121.4°
CANCAYCAQHAY122.0°125.5°
CANCAYCAQCAZ150.0°147.9°
CANCAYCBAHBA93.0°100.6°
CAYCANCALHAL1116.8°93.7°
CAYCANCALHAL2124.4°143.6°
CAYCANHAN1HAN2120.7°121.4°
CANCAYCAQHAQ190.0°93.7°
CANCAYCAQHAQ227.6°30.0°
CAYCAQCAZHAQ1120.0°118.2°
CAYCAQCAZHAQ2122.4°118.0°
CAYCAQCAZCAT151.6°155.6°
CAQCAYCBAHBA150.5°144.6°
CAYCAQCAZHAZ91.1°82.1°
CAQCAYCANHAN1143.0°127.6°
CAQCAYCANHAN223.7°6.2°
CAYCAQHAQ1HAQ2122.7°123.7°
CAQCAZCATHAZ121.8°122.1°
CAQCAZCATOAF102.9°113.0°
CAQCAZCATOAC79.7°67.0°
CAZCAQCAYHAY87.9°86.6°
CAZCAQHAQ1HAQ2122.7°123.6°
CAZCATOAFOAC177.3°179.9°
CATCAZCAQHAQ188.4°86.2°
CATCAZCAQHAQ229.2°37.6°
CAZCATOAFHAF177.3°180.0°
OAFCATCAZHAZ18.9°9.1°
OACCATCAZHAZ158.5°170.8°
OACCATOAFHAF0.0°0.1°
HAJCAJCAHHAH0.4°0.1°
HAHCAHCAGHAG0.1°0.0°
HAGCAGCAIHAI0.3°0.1°
HAICAICAKHAK0.1°0.4°
HAM1CAMCAPHAP1136.9°179.9°
HAM1CAMCAPHAP215.8°60.0°
HAM2CAMCAPHAP1100.3°59.9°
HAM2CAMCAPHAP2138.6°180.0°
HAP1CAPCAXHAX60.2°175.0°
HAP2CAPCAXHAX178.8°65.0°
HAXCAXNH11.0°88.9°
HNCAHA107.8°159.0°
HACACBHB1C138.5°180.0°
HACACBHB2C101.5°59.9°
HACACBHB3C18.5°60.0°
HB1CCBHB2CHB3C120.0°120.0°
HBACBACAOHAO124.7°32.6°
HBACBACAOHAO2143.3°155.7°
HBACBACAYHAY28.6°22.9°
HAZCAZCAQHAQ128.9°36.1°
HAZCAZCAQHAQ2146.6°159.8°
HAO1CAOCALHAL120.6°37.6°
HAO1CAOCALHAL298.3°85.1°
HAO2CAOCALHAL1139.2°160.7°
HAO2CAOCALHAL220.3°38.1°
HAYCAYCANHAN120.4°1.8°
HAYCAYCANHAN298.9°119.5°
HAYCAYCAQHAQ132.1°31.7°
HAYCAYCAQHAQ2149.7°155.5°
HAL1CALCANHAN13.2°25.5°
HAL1CALCANHAN2122.5°146.9°
HAL2CALCANHAN1115.7°97.1°
HAL2CALCANHAN23.7°24.3°

222624

PDB entries from 2024-07-17

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