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PRD_900093

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBGCBFsing1.53Å1.55Å
CBFCBEsing1.53Å1.52Å
CBECBDsing1.53Å1.57Å
CBDCBCsing1.53Å1.50Å
CBCCBBsing1.53Å1.53Å
CBBCBAsing1.53Å1.55Å
CBACAZsing1.53Å1.52Å
CAZCAYsing1.53Å1.53Å
CAYCAXsing1.51Å1.52Å
O11CAXdoub1.21Å1.43Å
CAXO6sing1.34Å1.44Å
O6C6sing1.45Å1.43Å
C6C5sing1.53Å1.52Å
C5O5sing1.43Å1.47Å
C5C4sing1.53Å1.58Å
O4C4sing1.43Å1.44Å
O5C1sing1.43Å1.41Å
C4C3sing1.53Å1.50Å
C3O3sing1.43Å1.45Å
C3C2sing1.53Å1.56Å
C1C2sing1.53Å1.58Å
C1O1sing1.43Å1.45Å
O2C2sing1.43Å1.44Å
O1CAAsing1.43Å1.42Å
OAWCAVsing1.43Å1.45Å
CAACAVsing1.53Å1.53Å
CAAOANsing1.43Å1.45Å
CAVCATsing1.53Å1.52Å
CATOAUsing1.43Å1.44Å
CATCARsing1.53Å1.53Å
OANCAOsing1.43Å1.45Å
CAOCARsing1.53Å1.54Å
CAOCAPsing1.53Å1.52Å
CAROASsing1.43Å1.44Å
CAPOAQsing1.43Å1.45Å
C1H1sing1.09Å1.10Å
C2H21sing1.09Å1.10Å
C3H31sing1.09Å1.10Å
C4H41sing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C6H62sing1.09Å1.10Å
C6H61sing1.09Å1.10Å
CAAHAAsing1.09Å1.10Å
CAOHAOsing1.09Å1.10Å
CAPH63sing1.09Å1.10Å
CAPHAPsing1.09Å1.10Å
CARHARsing1.09Å1.10Å
CATHATsing1.09Å1.10Å
CAVHAVsing1.09Å1.10Å
CAYH64sing1.09Å1.10Å
CAYHAYsing1.09Å1.10Å
CAZH65sing1.09Å1.10Å
CAZHAZsing1.09Å1.10Å
CBAH66sing1.09Å1.10Å
CBAHBAsing1.09Å1.10Å
CBBHBBsing1.09Å1.10Å
CBBH67sing1.09Å1.10Å
CBCHBCsing1.09Å1.10Å
CBCH68sing1.09Å1.10Å
CBDH69sing1.09Å1.10Å
CBDHBDsing1.09Å1.10Å
CBEHBEsing1.09Å1.10Å
CBEH7Asing1.09Å1.10Å
CBFH7Bsing1.09Å1.10Å
CBFHBFsing1.09Å1.10Å
CBGH7Gsing1.09Å1.10Å
CBGH7Csing1.09Å1.10Å
CBGHBGsing1.09Å1.10Å
O2H22sing0.97Å0.95Å
O3H32sing0.97Å0.95Å
O4H42sing0.97Å0.95Å
OAQHAQsing0.97Å0.95Å
OASHASsing0.97Å0.95Å
OAUHAUsing0.97Å0.95Å
OAWHAWsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBGCBFCBE112.1°109.5°
CBGCBFH7B108.8°109.5°
CBGCBFHBF108.8°109.5°
CBFCBGH7G109.5°109.5°
CBFCBGH7C109.5°109.5°
CBFCBGHBG109.5°109.5°
CBFCBECBD106.6°109.5°
CBFCBEHBE110.2°109.4°
CBFCBEH7A110.2°109.5°
CBECBFH7B108.8°109.5°
CBECBFHBF108.8°109.5°
CBECBDCBC106.3°109.5°
CBECBDH69110.3°109.4°
CBECBDHBD110.3°109.5°
CBDCBEHBE110.2°109.4°
CBDCBEH7A110.2°109.5°
CBDCBCCBB108.0°109.5°
CBDCBCHBC109.8°109.5°
CBDCBCH68109.8°109.5°
CBCCBDH69110.3°109.4°
CBCCBDHBD110.3°109.5°
CBCCBBCBA99.0°109.5°
CBCCBBHBB112.0°109.5°
CBCCBBH67112.0°109.5°
CBBCBCHBC109.8°109.5°
CBBCBCH68109.9°109.5°
CBBCBACAZ113.0°109.4°
CBBCBAH66108.6°109.5°
CBBCBAHBA108.6°109.4°
CBACBBHBB112.0°109.5°
CBACBBH67112.0°109.4°
CBACAZCAY112.8°109.4°
CBACAZH65108.6°109.5°
CBACAZHAZ108.6°109.4°
CAZCBAH66108.6°109.5°
CAZCBAHBA108.6°109.5°
CAZCAYCAX112.1°109.4°
CAZCAYH64108.8°109.5°
CAZCAYHAY108.8°109.4°
CAYCAZH65108.6°109.5°
CAYCAZHAZ108.6°109.5°
CAYCAXO11109.6°120.0°
CAYCAXO6107.1°120.0°
CAXCAYH64108.8°109.5°
CAXCAYHAY108.8°109.4°
O11CAXO6113.0°120.0°
CAXO6C6113.2°117.0°
O6C6C5103.6°109.5°
O6C6H62110.9°109.5°
O6C6H61110.9°109.4°
C6C5O5103.3°109.5°
C6C5C4115.8°109.5°
C6C5H5107.3°109.5°
C5C6H62110.9°109.5°
C5C6H61110.9°109.5°
O5C5C4115.4°109.4°
C5O5C1108.1°114.1°
O5C5H5107.9°109.5°
C5C4O4111.7°109.6°
C5C4C3101.6°109.1°
C5C4H41109.2°109.5°
C4C5H5106.6°109.5°
O4C4C3112.8°109.5°
O4C4H41111.1°109.6°
C4O4H42109.5°114.0°
O5C1C2108.0°109.4°
O5C1O1111.7°109.5°
O5C1H1108.8°109.5°
C4C3O3114.9°109.5°
C4C3C2104.9°109.0°
C4C3H31107.9°109.6°
C3C4H41110.1°109.5°
O3C3C2113.0°109.5°
O3C3H31108.5°109.6°
C3O3H32109.5°114.0°
C3C2C1111.2°109.2°
C3C2O2107.3°109.6°
C3C2H21107.8°109.5°
C2C3H31107.2°109.6°
C2C1O1113.2°109.5°
C1C2O2113.5°109.5°
C2C1H1106.7°109.5°
C1C2H21107.5°109.5°
C1O1CAA112.0°114.0°
O1C1H1108.2°109.5°
O2C2H21109.4°109.5°
C2O2H22109.5°114.0°
O1CAACAV110.2°109.5°
O1CAAOAN108.4°109.5°
O1CAAHAA109.9°109.5°
OAWCAVCAA109.6°109.5°
OAWCAVCAT111.2°109.5°
OAWCAVHAV109.5°109.5°
CAVOAWHAW109.5°114.0°
CAVCAAOAN110.5°109.4°
CAACAVCAT109.6°109.2°
CAVCAAHAA108.4°109.5°
CAACAVHAV108.4°109.5°
CAAOANCAO113.5°114.1°
OANCAAHAA109.4°109.5°
CAVCATOAU109.1°109.6°
CAVCATCAR109.2°109.1°
CAVCATHAT109.4°109.6°
CATCAVHAV108.5°109.5°
OAUCATCAR109.2°109.6°
OAUCATHAT110.6°109.5°
CATOAUHAU109.5°114.0°
CATCARCAO110.1°109.2°
CATCAROAS108.9°109.5°
CATCARHAR108.7°109.6°
CARCATHAT109.3°109.5°
OANCAOCAR108.9°109.4°
OANCAOCAP106.1°109.5°
OANCAOHAO110.4°109.5°
CARCAOCAP112.6°109.5°
CAOCAROAS110.6°109.5°
CARCAOHAO109.2°109.5°
CAOCARHAR108.6°109.5°
CAOCAPOAQ105.3°109.5°
CAPCAOHAO109.5°109.4°
CAOCAPH63110.5°109.4°
CAOCAPHAP110.5°109.5°
OASCARHAR110.0°109.5°
CAROASHAS109.5°114.0°
OAQCAPH63110.5°109.5°
OAQCAPHAP110.5°109.5°
CAPOAQHAQ109.5°114.0°
H62C6H61109.5°109.5°
H63CAPHAP109.5°109.4°
H64CAYHAY109.5°109.5°
H65CAZHAZ109.5°109.5°
H66CBAHBA109.5°109.5°
HBBCBBH67109.5°109.5°
HBCCBCH68109.4°109.4°
H69CBDHBD109.5°109.5°
HBECBEH7A109.5°109.5°
H7BCBFHBF109.5°109.4°
H7GCBGH7C109.5°109.5°
H7GCBGHBG109.5°109.4°
H7CCBGHBG109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBGCBFCBEH7B120.4°120.0°
CBGCBFCBEHBF120.4°120.1°
CBGCBFCBECBD58.5°180.0°
CBGCBFCBEHBE61.0°60.0°
CBGCBFCBEH7A178.1°59.9°
CBGCBFH7BHBF118.7°120.0°
CBFCBGH7GH7C120.0°120.0°
CBFCBGH7GHBG120.0°120.0°
CBFCBGH7CHBG120.0°120.0°
CBFCBECBDHBE119.5°119.9°
CBFCBECBDH7A119.5°120.1°
CBFCBECBDCBC62.6°NaN°
CBFCBECBDH6956.9°60.1°
CBFCBECBDHBD177.9°60.0°
CBFCBEHBEH7A121.3°120.0°
CBECBFH7BHBF118.8°120.0°
CBECBFCBGH7G180.0°180.0°
CBECBFCBGH7C60.0°60.1°
CBECBFCBGHBG60.0°60.0°
CBECBDCBCH69119.5°119.9°
CBECBDCBCHBD119.5°120.0°
CBECBDCBCCBB169.0°180.0°
CBECBDCBCHBC49.2°60.0°
CBECBDCBCH6871.2°59.9°
CBECBDH69HBD121.5°120.0°
CBDCBEHBEH7A121.3°120.0°
CBDCBECBFH7B178.9°60.1°
CBDCBECBFHBF61.9°59.9°
CBDCBCCBBHBC119.8°120.0°
CBDCBCCBBH68119.8°120.0°
CBDCBCCBBCBA170.2°180.0°
CBDCBCCBBHBB71.5°60.1°
CBDCBCCBBH6751.9°60.0°
CBDCBCHBCH68120.7°120.0°
CBCCBDH69HBD121.5°120.0°
CBCCBDCBEHBE177.8°60.1°
CBCCBDCBEH7A56.9°59.9°
CBCCBBCBAHBB118.3°120.0°
CBCCBBCBAH67118.3°120.0°
CBCCBBCBACAZ172.1°180.0°
CBCCBBCBAH6667.4°60.0°
CBCCBBCBAHBA51.6°60.0°
CBCCBBHBBH67124.9°120.0°
CBBCBCHBCH68120.7°120.0°
CBBCBCCBDH6971.5°60.0°
CBBCBCCBDHBD49.5°60.0°
CBBCBACAZH66120.6°120.0°
CBBCBACAZHBA120.5°119.9°
CBBCBACAZCAY104.8°180.0°
CBBCBACAZH65134.8°60.0°
CBBCBACAZHAZ15.7°60.0°
CBBCBAH66HBA118.4°120.0°
CBACBBHBBH67124.8°120.0°
CBACBBCBCHBC50.4°59.9°
CBACBBCBCH6870.1°60.0°
CBACAZCAYH65120.5°120.0°
CBACAZCAYHAZ120.5°120.0°
CBACAZCAYCAX77.2°180.0°
CBACAZCAYH6443.2°60.0°
CBACAZCAYHAY162.3°60.1°
CBACAZH65HAZ118.5°120.0°
CAZCBAH66HBA118.4°120.0°
CAZCBACBBHBB53.8°60.0°
CAZCBACBBH6769.7°60.0°
CAZCAYCAXH64120.4°120.0°
CAZCAYCAXHAY120.4°119.9°
CAZCAYCAXO1130.2°0.0°
CAZCAYCAXO6153.0°180.0°
CAZCAYH64HAY118.8°120.0°
CAYCAZH65HAZ118.5°120.1°
CAYCAZCBAH6615.8°60.0°
CAYCAZCBAHBA134.7°60.1°
CAYCAXO11O6119.3°179.9°
CAYCAXO6C697.6°180.0°
CAXCAYH64HAY118.8°120.0°
CAXCAYCAZH65162.3°60.0°
CAXCAYCAZHAZ43.2°60.1°
O11CAXO6C623.1°0.1°
O11CAXCAYH64150.5°120.0°
O11CAXCAYHAY90.3°120.0°
CAXO6C6C5101.5°180.0°
CAXO6C6H62139.4°59.9°
CAXO6C6H6117.6°60.1°
O6CAXCAYH6486.6°59.9°
O6CAXCAYHAY32.6°60.1°
O6C6C5H62119.1°120.1°
O6C6C5H61119.1°119.9°
O6C6C5O568.6°65.0°
O6C6C5C4164.2°175.1°
O6C6C5H545.2°55.1°
O6C6H62H61122.7°120.0°
C6C5O5C4127.4°119.9°
C6C5O5H5113.5°120.0°
C6C5C4H5119.3°120.0°
C6C5C4O470.1°62.5°
C6C5O5C1105.0°178.9°
C6C5C4C3169.5°177.6°
C6C5C4H4153.1°57.7°
C5C6H62H61122.7°120.0°
O5C5C4H5119.8°120.0°
O5C5C4O4169.0°177.6°
O5C5C4C348.6°57.7°
C5O5C1C267.1°61.2°
C5O5C1O1167.8°58.8°
C5O5C1H148.4°178.8°
O5C5C4H4167.7°62.2°
O5C5C6H6250.4°174.9°
O5C5C6H61172.3°55.0°
C5C4O4C3113.6°119.7°
C5C4O4H41122.2°120.2°
C4C5O5C122.4°61.2°
C5C4C3H41115.6°119.9°
C5C4C3O3163.8°176.9°
C5C4C3C271.6°57.0°
C5C4C3H3142.5°62.9°
C4C5C6H6276.7°55.0°
C4C5C6H6145.1°64.9°
C5C4O4H42180.0°179.7°
O4C4C3H41124.7°120.1°
O4C4C3O344.1°63.2°
O4C4C3C2168.8°176.9°
O4C4C3H3177.1°57.0°
O4C4C5H549.2°57.5°
O5C1C2C340.8°57.6°
O5C1C2O1124.2°120.0°
O5C1C2H1116.9°120.0°
O5C1O1H1119.8°120.0°
O5C1C2O280.4°177.6°
O5C1O1CAA143.6°70.1°
O5C1C2H21158.5°62.3°
C1O5C5H5141.5°58.8°
C4C3O3C2120.4°119.5°
C4C3O3H31120.9°120.3°
C4C3C2H31114.6°119.9°
C4C3C2C130.8°57.0°
C4C3C2O2155.5°176.9°
C4C3C2H2186.8°62.9°
C3C4C5H571.2°62.4°
C4C3O3H32180.0°179.5°
C3C4O4H4266.4°60.0°
O3C3C2H31119.5°120.2°
O3C3C2C1156.7°176.8°
O3C3C2O278.6°63.2°
O3C3C2H2139.1°56.9°
O3C3C4H4180.6°56.9°
C3C2C1O2121.1°120.0°
C3C2C1H21117.8°119.9°
C3C2C1O1165.0°62.4°
C3C2O2H21116.6°120.2°
C3C2C1H176.1°177.6°
C2C3C4H4144.1°62.9°
C3C2O2H22180.0°179.7°
C2C3O3H3259.7°60.0°
C2C1O1H1118.0°120.1°
C1C2O2H21120.1°120.1°
C2C1O1CAA94.2°170.0°
C1C2C3H3183.7°63.0°
C1C2O2H2256.7°60.0°
O1C1C2O243.8°57.6°
C1O1CAACAV151.0°170.0°
C1O1CAAOAN87.9°70.1°
O1C1C2H2177.3°177.7°
C1O1CAAHAA31.6°50.0°
O2C2C1H1162.8°62.4°
O2C2C3H3141.0°57.0°
O1CAACAVOAW59.5°57.5°
O1CAACAVOAN119.8°120.0°
O1CAACAVHAA120.3°120.0°
O1CAAOANHAA119.9°120.1°
O1CAACAVCAT62.8°62.4°
O1CAAOANCAO61.2°58.8°
CAAO1C1H123.9°49.9°
O1CAACAVHAV179.0°177.7°
OAWCAVCAACAT122.4°120.0°
OAWCAVCAAHAV119.4°120.2°
OAWCAVCAAOAN179.3°177.5°
OAWCAVCATHAV120.5°120.2°
OAWCAVCATOAU62.8°63.2°
OAWCAVCATCAR178.0°176.9°
OAWCAVCAAHAA60.8°62.5°
OAWCAVCATHAT58.4°57.0°
CAVCAAOANHAA119.3°120.0°
CAACAVCATHAV118.1°119.9°
CAACAVCATOAU175.8°176.9°
CAACAVCATCAR56.6°56.9°
CAVCAAOANCAO59.6°61.1°
CAACAVCATHAT63.0°62.9°
CAACAVOAWHAW180.0°60.0°
OANCAACAVCAT57.0°57.6°
CAAOANCAOCAR59.4°61.2°
CAAOANCAOCAP179.2°178.8°
CAAOANCAOHAO60.6°58.9°
OANCAACAVHAV61.2°62.3°
CAVCATOAUCAR119.3°119.6°
CAVCATOAUHAT120.4°120.2°
CAVCATCARHAT119.6°119.9°
CAVCATCARCAO57.5°56.9°
CAVCATCAROAS178.9°176.9°
CATCAVCAAHAA176.9°177.6°
CAVCATCARHAR61.3°62.9°
CAVCATOAUHAU180.0°60.4°
CATCAVOAWHAW58.6°179.7°
OAUCATCARHAT121.1°120.2°
OAUCATCARCAO176.8°176.8°
OAUCATCAROAS61.9°63.2°
OAUCATCARHAR58.0°57.0°
OAUCATCAVHAV57.7°57.0°
CATCARCAOOAN57.7°57.6°
CATCARCAOOAS120.4°119.9°
CATCARCAOHAR118.9°119.9°
CATCARCAOCAP175.0°177.6°
CATCAROASHAR119.0°120.2°
CATCARCAOHAO63.0°62.4°
CARCATCAVHAV61.6°62.9°
CATCAROASHAS180.0°60.3°
CARCATOAUHAU60.7°180.0°
OANCAOCARCAP117.4°120.0°
OANCAOCARHAO120.7°120.0°
OANCAOCAPHAO119.2°120.0°
OANCAOCAROAS178.0°177.5°
OANCAOCAPOAQ175.5°65.0°
CAOOANCAAHAA178.9°178.9°
OANCAOCAPH6365.2°174.9°
OANCAOCAPHAP56.1°55.0°
OANCAOCARHAR61.2°62.4°
CARCAOCAPHAO121.8°120.1°
CAOCAROASHAR119.9°120.1°
CARCAOCAPOAQ65.5°175.0°
CARCAOCAPH6353.8°55.0°
CARCAOCAPHAP175.2°65.0°
CAOCARCATHAT62.1°63.0°
CAOCAROASHAS59.0°180.0°
CAPCAOCAROAS64.6°62.5°
CAOCAPOAQH63119.3°120.0°
CAOCAPOAQHAP119.4°120.0°
CAOCAPH63HAP121.9°120.0°
CAPCAOCARHAR56.2°57.6°
CAOCAPOAQHAQ180.0°180.0°
OASCARCAOHAO57.3°57.5°
OASCARCATHAT59.2°56.9°
OAQCAPCAOHAO56.3°54.9°
OAQCAPH63HAP121.9°120.0°
H1C1C2H2141.7°57.7°
H21C2C3H31158.6°177.1°
H21C2O2H2263.4°60.1°
H31C3C4H41158.2°177.2°
H31C3O3H3259.1°60.2°
H41C4C5H5172.5°177.7°
H41C4O4H4257.8°60.1°
H5C5C6H62164.3°65.0°
H5C5C6H6173.8°175.0°
HAACAACAVHAV58.7°57.7°
HAOCAOCAPH63175.6°65.1°
HAOCAOCAPHAP63.1°175.0°
HAOCAOCARHAR178.1°177.7°
H63CAPOAQHAQ60.7°60.0°
HAPCAPOAQHAQ60.7°60.0°
HARCARCATHAT179.1°177.1°
HARCAROASHAS61.0°59.9°
HATCATCAVHAV178.9°177.2°
HATCATOAUHAU59.5°59.8°
HAVCAVOAWHAW61.2°60.2°
H64CAYCAZH6577.3°180.0°
H64CAYCAZHAZ163.6°60.0°
HAYCAYCAZH6541.9°59.9°
HAYCAYCAZHAZ77.2°180.0°
H65CAZCBAH66104.7°180.0°
H65CAZCBAHBA14.3°60.0°
HAZCAZCBAH66136.2°60.0°
HAZCAZCBAHBA104.8°179.9°
H66CBACBBHBB174.3°180.0°
H66CBACBBH6750.9°60.0°
HBACBACBBHBB66.7°60.0°
HBACBACBBH67169.8°180.0°
HBBCBBCBCHBC168.7°179.9°
HBBCBBCBCH6848.2°60.0°
H67CBBCBCHBC67.9°60.0°
H67CBBCBCH68171.7°179.9°
HBCCBCCBDH69168.7°179.9°
HBCCBCCBDHBD70.3°60.0°
H68CBCCBDH6948.2°60.0°
H68CBCCBDHBD169.3°180.0°
H69CBDCBEHBE62.7°180.0°
H69CBDCBEH7A176.4°60.0°
HBDCBDCBEHBE58.3°60.0°
HBDCBDCBEH7A62.6°180.0°
HBECBECBFH7B59.4°180.0°
HBECBECBFHBF178.6°60.0°
H7ACBECBFH7B61.5°60.0°
H7ACBECBFHBF57.7°180.0°
H7BCBFCBGH7G59.6°60.0°
H7BCBFCBGH7C60.4°180.0°
H7BCBFCBGHBG179.6°60.0°
HBFCBFCBGH7G59.6°60.0°
HBFCBFCBGH7C179.6°60.0°
HBFCBFCBGHBG60.4°180.0°
H7GCBGH7CHBG120.0°120.0°

221051

PDB entries from 2024-06-12

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