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702

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAASBFdoub1.42Å1.48Å
OABSBFdoub1.42Å1.48Å
OACSBFsing1.52Å1.48Å
OADPBEsing1.61Å1.51Å
OAEPBEsing1.61Å1.51Å
OAFPBEdoub1.48Å1.51Å
CAGCAHdoub1.38Å1.39ÅAromatic
CAGCAIsing1.38Å1.39ÅAromatic
CAHCAMsing1.38Å1.39ÅAromatic
CAICANdoub1.38Å1.39ÅAromatic
CAJCAKdoub1.38Å1.39ÅAromatic
CAJCAQsing1.38Å1.39ÅAromatic
CAKCARsing1.38Å1.39ÅAromatic
CALCAOdoub1.38Å1.39ÅAromatic
CALCAPsing1.38Å1.39ÅAromatic
CAMCAZdoub1.38Å1.39ÅAromatic
CANCAZsing1.38Å1.39ÅAromatic
CAOCAYsing1.38Å1.39ÅAromatic
CAPCBAdoub1.39Å1.39ÅAromatic
CAQCBBdoub1.38Å1.39ÅAromatic
CARCBCdoub1.39Å1.40ÅAromatic
CASCAYdoub1.38Å1.39ÅAromatic
CASCBAsing1.39Å1.39ÅAromatic
CATCAUsing1.53Å1.53Å
CATCAVsing1.53Å1.52Å
CAUCAYsing1.51Å1.52Å
CAVCBDsing1.53Å1.53Å
CAWCAZsing1.51Å1.51Å
CAWCBBsing1.51Å1.51Å
OAXCBAsing1.36Å1.37Å
OAXCBCsing1.36Å1.37Å
CBBCBCsing1.39Å1.39ÅAromatic
CBDPBEsing1.82Å1.83Å
CBDSBFsing1.81Å1.69Å
OACHOACsing0.97Å0.95Å
OADHOADsing0.97Å0.95Å
OAEHOAEsing0.97Å0.95Å
CAGHAGsing1.08Å1.08Å
CAHHAHsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
CALHALsing1.08Å1.08Å
CAMHAMsing1.08Å1.08Å
CANHANsing1.08Å1.08Å
CAOHAOsing1.08Å1.08Å
CAPHAPsing1.08Å1.08Å
CAQHAQsing1.08Å1.08Å
CARHARsing1.08Å1.08Å
CASHASsing1.08Å1.08Å
CATHATsing1.09Å1.10Å
CATHATAsing1.09Å1.10Å
CAUHAUsing1.09Å1.10Å
CAUHAUAsing1.09Å1.10Å
CAVHAVsing1.09Å1.10Å
CAVHAVAsing1.09Å1.10Å
CAWHAWsing1.09Å1.10Å
CAWHAWAsing1.09Å1.10Å
CBDHBDsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAASBFOAB100.7°121.0°
OAASBFOAC109.3°104.3°
OAASBFCBD114.4°110.6°
OABSBFOAC110.0°104.3°
OABSBFCBD110.2°110.5°
OACSBFCBD111.9°104.4°
SBFOACHOAC109.5°114.0°
OADPBEOAE111.2°109.4°
OADPBEOAF115.0°109.5°
OADPBECBD109.9°109.5°
PBEOADHOAD109.5°114.0°
OAEPBEOAF110.4°109.5°
OAEPBECBD105.5°109.5°
PBEOAEHOAE109.5°114.0°
OAFPBECBD104.2°109.5°
CAHCAGCAI121.7°120.0°
CAGCAHCAM118.3°120.0°
CAHCAGHAG119.2°119.9°
CAGCAHHAH120.9°120.0°
CAGCAICAN119.9°120.0°
CAICAGHAG119.1°120.0°
CAGCAIHAI120.1°120.0°
CAHCAMCAZ120.3°120.0°
CAMCAHHAH120.8°120.0°
CAHCAMHAM119.8°120.0°
CAICANCAZ118.7°120.0°
CANCAIHAI120.0°120.0°
CAICANHAN120.7°120.0°
CAKCAJCAQ120.0°120.0°
CAJCAKCAR120.0°120.1°
CAKCAJHAJ120.0°119.9°
CAJCAKHAK120.0°119.9°
CAJCAQCBB120.2°120.1°
CAQCAJHAJ120.0°120.0°
CAJCAQHAQ119.9°119.9°
CAKCARCBC120.1°119.9°
CARCAKHAK120.0°120.0°
CAKCARHAR119.9°120.1°
CAOCALCAP119.4°120.0°
CALCAOCAY121.3°120.1°
CAOCALHAL120.3°120.0°
CALCAOHAO119.3°119.9°
CALCAPCBA119.4°120.0°
CAPCALHAL120.3°120.0°
CALCAPHAP120.3°120.0°
CAMCAZCAN121.1°119.9°
CAMCAZCAW119.1°120.0°
CAZCAMHAM119.9°119.9°
CANCAZCAW119.7°120.0°
CAZCANHAN120.6°120.0°
CAOCAYCAS118.9°120.1°
CAOCAYCAU120.2°120.0°
CAYCAOHAO119.4°120.0°
CAPCBACAS120.9°119.9°
CAPCBAOAX121.9°120.1°
CBACAPHAP120.3°120.1°
CAQCBBCAW118.7°120.0°
CAQCBBCBC120.3°119.9°
CBBCAQHAQ119.9°120.0°
CARCBCOAX120.0°120.0°
CARCBCCBB119.5°119.9°
CBCCARHAR120.0°120.0°
CAYCASCBA120.0°119.9°
CASCAYCAU120.9°119.9°
CAYCASHAS120.0°120.0°
CASCBAOAX117.2°120.1°
CBACASHAS120.0°120.1°
CAUCATCAV115.9°109.5°
CATCAUCAY105.0°109.4°
CAUCATHAT107.4°109.5°
CAUCATHATA107.4°109.5°
CATCAUHAU111.0°109.5°
CATCAUHAUA111.0°109.5°
CATCAVCBD112.5°109.5°
CAVCATHAT107.4°109.5°
CAVCATHATA107.4°109.4°
CATCAVHAV108.4°109.5°
CATCAVHAVA108.5°109.5°
CAYCAUHAU111.0°109.5°
CAYCAUHAUA111.0°109.5°
CAVCBDPBE105.4°109.4°
CAVCBDSBF112.4°109.5°
CBDCAVHAV108.5°109.4°
CBDCAVHAVA108.5°109.5°
CAVCBDHBD115.6°109.5°
CAZCAWCBB108.1°109.5°
CAZCAWHAW109.9°109.4°
CAZCAWHAWA109.9°109.5°
CAWCBBCBC121.0°120.1°
CBBCAWHAW109.9°109.4°
CBBCAWHAWA109.9°109.5°
CBAOAXCBC126.3°118.0°
OAXCBCCBB120.4°120.0°
PBECBDSBF121.1°109.5°
PBECBDHBD105.4°109.5°
SBFCBDHBD97.2°109.5°
HATCATHATA111.5°109.5°
HAUCAUHAUA107.9°109.5°
HAVCAVHAVA110.5°109.4°
HAWCAWHAWA109.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAASBFOABOAC115.2°116.8°
OAASBFOABCBD121.1°131.5°
OAASBFOACCBD127.7°116.1°
OAASBFCBDCAV25.0°68.3°
OAASBFCBDPBE150.7°51.7°
OAASBFOACHOAC0.0°63.9°
OAASBFCBDHBD96.5°171.7°
OABSBFOACCBD122.7°116.0°
OABSBFCBDCAV137.5°68.4°
OABSBFCBDPBE96.8°171.6°
OABSBFOACHOAC109.6°63.9°
OABSBFCBDHBD16.0°51.6°
OACSBFCBDCAV99.9°180.0°
OACSBFCBDPBE25.8°60.0°
OACSBFCBDHBD138.6°60.0°
OADPBEOAEOAF128.9°120.0°
OADPBEOAECBD119.1°120.0°
OADPBEOAFCBD120.3°120.0°
OADPBECBDCAV69.0°60.0°
OADPBECBDSBF59.9°60.0°
OADPBEOAEHOAE128.9°60.0°
OADPBECBDHBD168.4°180.0°
OAEPBEOAFCBD112.8°120.0°
OAEPBECBDCAV51.0°180.0°
OAEPBECBDSBF179.9°60.0°
OAEPBEOADHOAD126.4°60.0°
OAEPBECBDHBD71.6°60.0°
OAFPBECBDCAV167.3°60.0°
OAFPBECBDSBF63.8°180.0°
OAFPBEOADHOAD0.0°60.0°
OAFPBEOAEHOAE0.0°180.0°
OAFPBECBDHBD44.6°60.0°
CAHCAGCAIHAG180.0°179.6°
CAGCAHCAMHAH180.0°179.8°
CAHCAGCAICAN0.6°0.2°
CAGCAHCAMCAZ1.8°0.1°
CAHCAGCAIHAI179.4°180.0°
CAGCAHCAMHAM178.2°180.0°
CAICAGCAHCAM0.6°0.1°
CAGCAICANHAI180.0°179.8°
CAGCAICANCAZ0.6°0.1°
CAICAGCAHHAH179.4°179.9°
CAGCAICANHAN179.4°180.0°
CAHCAMCAZHAM180.0°180.0°
CAHCAMCAZCAN1.9°0.0°
CAHCAMCAZCAW178.2°180.0°
CAMCAHCAGHAG179.4°179.8°
CAICANCAZCAM0.7°0.1°
CAICANCAZHAN180.0°179.9°
CAICANCAZCAW179.4°180.0°
CANCAICAGHAG179.4°179.8°
CAKCAJCAQHAJ180.0°179.7°
CAJCAKCARHAK180.0°180.0°
CAKCAJCAQCBB2.0°0.0°
CAJCAKCARCBC0.5°0.1°
CAKCAJCAQHAQ177.9°180.0°
CAJCAKCARHAR179.5°180.0°
CAQCAJCAKCAR1.3°0.1°
CAJCAQCBBHAQ180.0°180.0°
CAJCAQCBBCAW179.5°180.0°
CAJCAQCBBCBC1.1°0.0°
CAQCAJCAKHAK178.7°180.0°
CAKCARCBCHAR180.0°179.9°
CAKCARCBCOAX178.7°180.0°
CAKCARCBCCBB1.5°0.1°
CARCAKCAJHAJ178.7°179.7°
CAOCALCAPHAL180.0°179.7°
CALCAOCAYHAO180.0°179.9°
CAOCALCAPCBA0.0°0.0°
CALCAOCAYCAS1.0°0.1°
CALCAOCAYCAU179.8°179.9°
CAOCALCAPHAP180.0°180.0°
CAPCALCAOCAY0.9°0.1°
CALCAPCBAHAP180.0°180.0°
CALCAPCBACAS0.8°0.0°
CALCAPCBAOAX179.9°180.0°
CAPCALCAOHAO179.1°180.0°
CAMCAZCANCAW179.9°180.0°
CAMCAZCAWCBB81.8°90.0°
CAZCAMCAHHAH178.2°179.8°
CAMCAZCANHAN179.3°179.9°
CAMCAZCAWHAW158.2°150.0°
CAMCAZCAWHAWA38.3°30.0°
CANCAZCAWCBB98.3°90.0°
CAZCANCAIHAI179.4°179.9°
CANCAZCAMHAM178.1°180.0°
CANCAZCAWHAW21.7°30.0°
CANCAZCAWHAWA141.7°149.9°
CAOCAYCASCAU179.2°180.0°
CAOCAYCASCBA0.2°0.0°
CAOCAYCAUCAT83.6°90.0°
CAYCAOCALHAL179.1°179.8°
CAOCAYCASHAS179.8°179.9°
CAOCAYCAUHAU36.4°30.0°
CAOCAYCAUHAUA156.4°150.0°
CAPCBACASCAY0.7°0.1°
CAPCBACASOAX179.3°180.0°
CAPCBAOAXCBC13.2°67.6°
CBACAPCALHAL180.0°179.7°
CAPCBACASHAS179.3°180.0°
CAQCBBCBCCAR0.7°0.1°
CAQCBBCAWCAZ79.2°95.0°
CAQCBBCAWCBC179.4°180.0°
CAQCBBCBCOAX177.9°180.0°
CBBCAQCAJHAJ178.0°179.7°
CAQCBBCAWHAW40.8°145.0°
CAQCBBCAWHAWA160.8°25.0°
CARCBCCBBCAW178.7°180.0°
CARCBCOAXCBA91.8°6.2°
CARCBCOAXCBB177.2°180.0°
CBCCARCAKHAK179.5°180.0°
CAYCASCBAHAS180.0°179.9°
CASCAYCAUCAT95.6°90.1°
CAYCASCBAOAX180.0°179.9°
CASCAYCAOHAO179.0°179.9°
CASCAYCAUHAU144.4°150.0°
CASCAYCAUHAUA24.4°29.9°
CBACASCAYCAU179.4°180.0°
CASCBAOAXCBC166.1°112.4°
CASCBACAPHAP179.2°180.0°
CAUCATCAVHAT120.0°120.1°
CAUCATCAVHATA120.0°120.0°
CATCAUCAYHAU120.0°120.0°
CATCAUCAYHAUA120.0°120.0°
CAUCATCAVCBD100.2°180.0°
CAUCATHATHATA117.4°120.0°
CATCAUHAUHAUA121.9°120.0°
CAUCATCAVHAV139.8°60.0°
CAUCATCAVHAVA19.8°60.0°
CAVCATCAUCAY176.5°180.0°
CATCAVCBDHAV120.0°120.0°
CATCAVCBDHAVA120.0°120.0°
CATCAVCBDPBE150.7°60.0°
CATCAVCBDSBF75.4°180.0°
CAVCATHATHATA117.4°119.9°
CAVCATCAUHAU56.5°60.0°
CAVCATCAUHAUA63.5°60.0°
CATCAVHAVHAVA118.7°120.0°
CATCAVCBDHBD34.8°60.0°
CAUCAYCAOHAO0.2°0.0°
CAUCAYCASHAS0.6°0.1°
CAYCAUCATHAT56.5°60.0°
CAYCAUCATHATA63.5°60.1°
CAYCAUHAUHAUA121.8°120.0°
CAVCBDPBESBF128.9°120.0°
CAVCBDPBEHBD122.7°120.0°
CAVCBDSBFHBD121.5°120.0°
CBDCAVCATHAT19.8°60.0°
CBDCAVCATHATA139.8°60.0°
CBDCAVHAVHAVA118.8°120.0°
CAZCAWCBBHAW120.0°120.0°
CAZCAWCBBHAWA120.0°120.0°
CAZCAWCBBCBC100.2°85.0°
CAWCAZCAMHAM1.8°0.0°
CAWCAZCANHAN0.6°0.1°
CAZCAWHAWHAWA120.5°120.0°
CAWCBBCBCOAX1.5°0.0°
CAWCBBCAQHAQ0.5°0.0°
CBBCAWHAWHAWA120.6°120.0°
CBAOAXCBCCBB90.9°173.8°
OAXCBACAPHAP0.1°0.0°
OAXCBACASHAS0.0°0.0°
OAXCBCCARHAR1.3°0.0°
CBCCBBCAQHAQ178.9°180.0°
CBBCBCCARHAR178.5°180.0°
CBCCBBCAWHAW139.8°35.0°
CBCCBBCAWHAWA19.8°155.0°
PBECBDSBFHBD112.8°120.0°
CBDPBEOADHOAD117.2°179.9°
CBDPBEOAEHOAE112.0°60.0°
PBECBDCAVHAV89.3°180.0°
PBECBDCAVHAVA30.7°60.1°
CBDSBFOACHOAC127.7°179.9°
SBFCBDCAVHAV44.6°60.0°
SBFCBDCAVHAVA164.6°59.9°
HAGCAGCAHHAH0.6°0.4°
HAGCAGCAIHAI0.6°0.4°
HAHCAHCAMHAM1.8°0.2°
HAICAICANHAN0.6°0.2°
HAJCAJCAKHAK1.3°0.3°
HAJCAJCAQHAQ2.0°0.3°
HAKCAKCARHAR0.5°0.0°
HALCALCAOHAO0.9°0.3°
HALCALCAPHAP0.0°0.3°
HATCATCAUHAU63.5°60.0°
HATCATCAUHAUA176.5°180.0°
HATCATCAVHAV100.2°180.0°
HATCATCAVHAVA139.8°60.1°
HATACATCAUHAU176.5°180.0°
HATACATCAUHAUA56.5°59.9°
HATACATCAVHAV19.8°60.0°
HATACATCAVHAVA100.2°179.9°
HAVCAVCBDHBD154.8°60.0°
HAVACAVCBDHBD85.2°180.0°

225946

PDB entries from 2024-10-09

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