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VAW

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBDCAMsing1.40Å1.39ÅAromatic
CBDCBCdoub1.41Å1.39ÅAromatic
CBDCBBsing1.47Å1.40ÅAromatic
CAMCAKdoub1.37Å1.40ÅAromatic
CAKCAJsing1.39Å1.39ÅAromatic
CAJCALdoub1.38Å1.39ÅAromatic
CALCBCsing1.39Å1.40ÅAromatic
CBCNAUsing1.38Å1.33ÅAromatic
NAUCANsing1.37Å1.34ÅAromatic
CANCBBdoub1.34Å1.33ÅAromatic
CBBCARsing1.51Å1.53Å
CARCAPsing1.30Å1.53Å
CAPNATsing1.47Å1.49Å
NATCAQsing1.47Å1.46Å
CAQCASsing1.30Å1.52Å
CASCBJsing1.53Å1.50Å
CBJCBHsing1.53Å1.53Å
CBJCBAsing1.50Å1.52Å
CBHCAHsing1.51Å1.53Å
CBHCBKsing1.54Å1.53Å
CAHCAAdoub1.31Å1.38Å
CBACAZsing1.42Å1.52Å
CBACAIdoub1.34Å1.39Å
CAZOACdoub1.22Å1.25Å
CAZOAVsing1.35Å1.39Å
OAVCABsing1.43Å1.41Å
CAIOAWsing1.34Å1.39Å
OAWCBKsing1.45Å1.42Å
CBKO1sing1.43Å1.41Å
O1C1sing1.43Å1.42Å
C1O5sing1.43Å1.43Å
C1C2sing1.53Å1.52Å
O5C5sing1.43Å1.39Å
C5C6sing1.53Å1.53Å
C5C4sing1.53Å1.52Å
C6O6sing1.43Å1.45Å
C4O4sing1.43Å1.39Å
C4C3sing1.53Å1.53Å
C3O3sing1.43Å1.43Å
C3C2sing1.53Å1.54Å
C2O2sing1.43Å1.44Å
CAMHAMsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CALHALsing1.08Å1.08Å
NAUHAUsing0.97Å1.00Å
CANHANsing1.08Å1.08Å
CARHAR1sing1.09Å1.10Å
CARHAR2sing1.09Å1.10Å
CAPHAP1sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
NATHATsing1.01Å1.00Å
CAQHAQ1sing1.09Å1.10Å
CAQHAQ2sing1.09Å1.10Å
CASHAS1sing1.09Å1.10Å
CASHAS2sing1.09Å1.10Å
CBJHBJsing1.09Å1.10Å
CBHHBHsing1.09Å1.10Å
CAHHAHsing1.08Å1.08Å
CBKHBKsing1.09Å1.10Å
CAAHAA1sing1.08Å1.08Å
CAAHAA2sing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CABHAB1sing1.09Å1.10Å
CABHAB2sing1.09Å1.10Å
CABHAB3sing1.09Å1.10Å
C1H1sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C6H6C1sing1.09Å1.10Å
C6H6C2sing1.09Å1.10Å
C4H4sing1.09Å1.10Å
O6H6sing0.97Å0.95Å
O4HAsing0.97Å0.95Å
C3H3sing1.09Å1.10Å
O3HBsing0.97Å0.95Å
O2HCsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAMCBDCBC118.3°119.9°
CAMCBDCBB134.8°134.1°
CBDCAMCAK121.3°119.8°
CBDCAMHAM119.3°120.1°
CBCCBDCBB106.9°106.0°
CBDCBCCAL120.8°119.3°
CBDCBCNAU107.0°107.2°
CBDCBBCAN106.5°107.0°
CBDCBBCAR129.8°126.5°
CAMCAKCAJ120.0°120.5°
CAKCAMHAM119.3°120.1°
CAMCAKHAK120.0°119.7°
CAKCAJCAL119.1°120.6°
CAJCAKHAK120.0°119.7°
CAKCAJHAJ120.5°119.7°
CAJCALCBC120.5°119.8°
CALCAJHAJ120.5°119.7°
CAJCALHAL119.7°120.1°
CALCBCNAU132.2°133.5°
CBCCALHAL119.7°120.1°
CBCNAUCAN109.4°109.8°
CBCNAUHAU125.3°125.1°
NAUCANCBB110.1°110.0°
CANNAUHAU125.3°125.1°
NAUCANHAN124.9°125.0°
CANCBBCAR123.7°126.5°
CBBCANHAN124.9°125.0°
CBBCARCAP112.5°109.5°
CBBCARHAR1108.4°109.4°
CBBCARHAR2107.8°109.5°
CARCAPNAT110.9°109.5°
CAPCARHAR1108.5°109.5°
CAPCARHAR2107.8°109.5°
CARCAPHAP1109.0°109.5°
CARCAPHAP2108.7°109.5°
CAPNATCAQ105.1°111.0°
NATCAPHAP1109.0°109.4°
NATCAPHAP2108.7°109.5°
CAPNATHAT111.0°111.0°
NATCAQCAS113.4°109.5°
CAQNATHAT111.0°111.0°
NATCAQHAQ1108.2°109.5°
NATCAQHAQ2107.3°109.4°
CAQCASCBJ106.9°109.5°
CASCAQHAQ1108.1°109.5°
CASCAQHAQ2107.3°109.4°
CAQCASHAS1110.3°109.5°
CAQCASHAS2110.9°109.4°
CASCBJCBH116.9°109.4°
CASCBJCBA112.2°109.5°
CBJCASHAS1110.4°109.5°
CBJCASHAS2110.9°109.4°
CASCBJHBJ100.0°109.5°
CBHCBJCBA101.6°109.5°
CBJCBHCAH114.4°109.7°
CBJCBHCBK110.1°108.2°
CBHCBJHBJ111.0°109.4°
CBJCBHHBH108.5°109.7°
CBJCBACAZ117.4°118.8°
CBJCBACAI119.1°122.4°
CBACBJHBJ115.8°109.4°
CAHCBHCBK116.8°109.7°
CBHCAHCAA121.3°120.0°
CAHCBHHBH100.2°109.7°
CBHCAHHAH119.3°120.0°
CBHCBKOAW98.6°108.3°
CBHCBKO1114.5°109.7°
CBKCBHHBH105.6°109.7°
CBHCBKHBK110.1°109.7°
CAACAHHAH119.4°120.0°
CAHCAAHAA1107.7°120.0°
CAHCAAHAA2126.1°120.0°
CAZCBACAI123.4°118.8°
CBACAZOAC123.1°120.0°
CBACAZOAV111.4°120.0°
CBACAIOAW123.5°123.1°
CBACAIHAI118.3°118.5°
OACCAZOAV125.5°120.0°
CAZOAVCAB121.2°117.0°
OAVCABHAB1109.5°109.5°
OAVCABHAB2109.4°109.5°
OAVCABHAB3109.5°109.5°
CAIOAWCBK118.3°117.5°
OAWCAIHAI118.2°118.5°
OAWCBKO197.6°109.7°
OAWCBKHBK124.5°109.7°
CBKO1C1113.1°114.0°
O1CBKHBK111.0°109.7°
O1C1O5112.4°109.5°
O1C1C2101.3°109.5°
O1C1H1110.4°109.4°
O5C1C2100.8°109.5°
C1O5C5110.2°114.1°
O5C1H1110.8°109.5°
C1C2C3109.6°109.1°
C1C2O2110.3°109.6°
C2C1H1120.6°109.5°
C1C2H2109.4°109.5°
O5C5C6108.2°109.5°
O5C5C4105.6°109.4°
O5C5H5113.6°109.4°
C6C5C4111.9°109.5°
C5C6O6113.1°109.5°
C6C5H5107.5°109.5°
C5C6H6C1108.3°109.4°
C5C6H6C2107.5°109.5°
C5C4O4106.3°109.5°
C5C4C3112.0°109.2°
C4C5H5110.0°109.5°
C5C4H4108.8°109.5°
O6C6H6C1108.3°109.5°
O6C6H6C2107.5°109.4°
C6O6H6109.5°114.0°
O4C4C3105.7°109.5°
O4C4H4114.7°109.5°
C4O4HA109.5°113.9°
C4C3O3111.2°109.6°
C4C3C2111.4°109.1°
C3C4H4109.3°109.6°
C4C3H3107.2°109.5°
O3C3C2110.5°109.5°
O3C3H3108.2°109.5°
C3O3HB109.5°114.0°
C3C2O2111.0°109.5°
C3C2H2108.6°109.5°
C2C3H3108.1°109.6°
O2C2H2108.0°109.6°
C2O2HC109.5°114.0°
HAR1CARHAR2111.9°109.5°
HAP1CAPHAP2110.6°109.4°
HAQ1CAQHAQ2112.6°109.5°
HAS1CASHAS2107.5°109.5°
HAA1CAAHAA2126.1°120.0°
HAB1CABHAB2109.4°109.4°
HAB1CABHAB3109.5°109.4°
HAB2CABHAB3109.5°109.4°
H6C1C6H6C2112.3°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAMCBDCBCCBB179.9°179.8°
CBDCAMCAKHAM180.0°179.9°
CBDCAMCAKCAJ0.2°0.1°
CAMCBDCBCCAL0.0°0.0°
CAMCBDCBCNAU179.6°180.0°
CAMCBDCBBCAN179.7°179.9°
CAMCBDCBBCAR0.1°0.0°
CBDCAMCAKHAK179.8°180.0°
CBCCBDCAMCAK0.2°0.0°
CBDCBCCALCAJ0.2°0.0°
CBDCBCCALNAU179.5°180.0°
CBDCBCNAUCAN0.9°0.0°
CBCCBDCBBCAN0.2°0.3°
CBCCBDCBBCAR180.0°179.7°
CBCCBDCAMHAM179.8°180.0°
CBDCBCCALHAL179.8°179.9°
CBDCBCNAUHAU179.1°179.9°
CBBCBDCAMCAK179.9°179.7°
CBBCBDCBCCAL179.9°179.8°
CBBCBDCBCNAU0.5°0.2°
CBDCBBCANNAU0.8°0.4°
CBDCBBCANCAR179.8°180.0°
CBDCBBCARCAP86.6°90.0°
CBBCBDCAMHAM0.1°0.3°
CBDCBBCANHAN179.2°179.9°
CBDCBBCARHAR133.4°150.0°
CBDCBBCARHAR2154.7°30.0°
CAMCAKCAJHAK180.0°179.9°
CAMCAKCAJCAL0.0°0.0°
CAMCAKCAJHAJ180.0°179.9°
CAKCAJCALHAJ180.0°179.9°
CAKCAJCALCBC0.2°0.0°
CAJCAKCAMHAM179.8°180.0°
CAKCAJCALHAL179.8°180.0°
CAJCALCBCHAL180.0°180.0°
CAJCALCBCNAU179.3°180.0°
CALCAJCAKHAK180.0°180.0°
CALCBCNAUCAN179.5°180.0°
CBCCALCAJHAJ179.8°180.0°
CALCBCNAUHAU0.5°0.1°
CBCNAUCANHAU180.0°179.9°
CBCNAUCANCBB1.1°0.2°
NAUCBCCALHAL0.7°0.1°
CBCNAUCANHAN178.9°180.0°
NAUCANCBBHAN180.0°179.8°
NAUCANCBBCAR179.4°179.7°
CANCBBCARCAP93.6°90.0°
CBBCANNAUHAU178.9°179.8°
CANCBBCARHAR1146.4°30.0°
CANCBBCARHAR225.1°150.0°
CBBCARCAPHAR1120.0°120.0°
CBBCARCAPHAR2118.7°120.0°
CBBCARCAPNAT19.4°180.0°
CARCBBCANHAN0.6°0.1°
CBBCARHAR1HAR2118.8°120.0°
CBBCARCAPHAP1139.4°60.0°
CBBCARCAPHAP2100.0°59.9°
CARCAPNATHAP1120.0°120.0°
CARCAPNATHAP2119.4°120.1°
CARCAPNATCAQ124.4°174.6°
CAPCARHAR1HAR2118.7°120.0°
CARCAPHAP1HAP2119.4°120.0°
CARCAPNATHAT115.5°61.4°
CAPNATCAQHAT120.0°124.0°
CAPNATCAQCAS157.7°174.7°
NATCAPCARHAR1100.6°60.0°
NATCAPCARHAR2138.1°60.0°
NATCAPHAP1HAP2119.4°119.9°
CAPNATCAQHAQ182.4°54.6°
CAPNATCAQHAQ239.4°65.4°
NATCAQCASHAQ1120.0°120.1°
NATCAQCASHAQ2118.3°119.9°
NATCAQCASCBJ73.8°177.5°
CAQNATCAPHAP14.5°54.6°
CAQNATCAPHAP2116.1°65.3°
NATCAQHAQ1HAQ2118.4°120.0°
NATCAQCASHAS1166.2°57.4°
NATCAQCASHAS247.2°62.6°
CAQCASCBJHAS1120.0°120.1°
CAQCASCBJHAS2121.0°119.9°
CAQCASCBJCBH99.7°58.7°
CAQCASCBJCBA143.5°178.7°
CASCAQNATHAT37.7°61.3°
CASCAQHAQ1HAQ2118.4°120.0°
CAQCASHAS1HAS2121.0°120.0°
CAQCASCBJHBJ20.1°61.3°
CASCBJCBHCBA122.5°120.0°
CASCBJCBHHBJ113.8°120.0°
CASCBJCBAHBJ114.0°120.0°
CASCBJCBHCAH76.7°47.7°
CASCBJCBHCBK57.3°167.4°
CASCBJCBACAZ80.7°42.3°
CASCBJCBACAI103.2°137.7°
CBJCASCAQHAQ146.2°62.5°
CBJCASCAQHAQ2167.9°57.5°
CBJCASHAS1HAS2121.0°120.0°
CASCBJCBHHBH172.4°72.9°
CBHCBJCBAHBJ120.3°120.0°
CBJCBHCAHCBK130.7°118.8°
CBJCBHCAHHBH115.9°120.6°
CBJCBHCBKHBH117.0°119.7°
CBJCBHCAHCAA62.4°120.1°
CBHCBJCBACAZ153.6°162.3°
CBHCBJCBACAI22.5°17.7°
CBJCBHCBKOAW79.0°62.7°
CBJCBHCBKO1178.6°57.0°
CBHCBJCASHAS120.3°61.4°
CBHCBJCASHAS2139.3°178.6°
CBJCBHCAHHAH117.6°60.0°
CBJCBHCBKHBK52.7°177.6°
CBACBJCBHCAH160.8°72.3°
CBACBJCBHCBK65.3°47.4°
CBJCBACAZCAI175.9°179.9°
CBJCBACAZOAC177.5°173.5°
CBJCBACAZOAV4.7°6.6°
CBJCBACAIOAW3.2°0.5°
CBACBJCASHAS196.5°58.7°
CBACBJCASHAS222.5°61.3°
CBACBJCBHHBH49.8°167.1°
CBJCBACAIHAI176.8°179.6°
CAHCBHCBKHBH110.3°120.6°
CBHCAHCAAHAH180.0°179.9°
CAHCBHCBKOAW148.3°57.0°
CAHCBHCBKO145.9°176.6°
CAHCBHCBJHBJ37.2°167.7°
CAHCBHCBKHBK80.0°62.8°
CBHCAHCAAHAA1180.0°180.0°
CBHCAHCAAHAA20.0°0.1°
CBKCBHCAHCAA68.4°121.2°
CBHCBKOAWCAI47.7°47.5°
CBHCBKOAWO1116.3°119.7°
CBHCBKOAWHBK121.7°119.7°
CBHCBKO1HBK125.4°120.6°
CBHCBKO1C1178.9°175.0°
CBKCBHCBJHBJ171.1°72.6°
CBKCBHCAHHAH111.7°58.8°
CAACAHCBHHBH178.3°0.6°
CAHCAAHAA1HAA2180.0°179.9°
CBACAZOACOAV177.4°179.9°
CBACAZOAVCAB123.0°174.8°
CAZCBACAIOAW179.1°179.6°
CAZCBACBJHBJ33.3°77.7°
CAZCBACAIHAI0.9°0.3°
CAICBACAZOAC1.6°6.6°
CAICBACAZOAV179.4°173.3°
CBACAIOAWHAI180.0°179.9°
CBACAIOAWCBK11.9°16.4°
CAICBACBJHBJ142.8°102.2°
OACCAZOAVCAB59.3°5.3°
CAZOAVCABHAB138.8°55.3°
CAZOAVCABHAB2158.8°64.7°
CAZOAVCABHAB381.2°175.3°
OAVCABHAB1HAB2120.0°120.1°
OAVCABHAB1HAB3120.0°120.0°
OAVCABHAB2HAB3120.0°120.0°
CAIOAWCBKO1164.0°72.2°
CAIOAWCBKHBK74.0°167.2°
OAWCBKO1HBK131.5°120.6°
OAWCBKO1C178.0°66.2°
OAWCBKCBHHBH38.0°177.6°
CBKOAWCAIHAI168.1°163.7°
CBKO1C1O572.7°64.9°
CBKO1C1C2179.5°175.0°
O1CBKCBHHBH64.5°62.8°
CBKO1C1H151.6°55.0°
O1C1O5C2107.1°120.0°
O1C1O5H1124.1°119.9°
O1C1C2H1122.0°119.9°
O1C1O5C5171.9°178.9°
O1C1C2C3179.1°177.6°
O1C1C2O258.4°62.5°
C1O1CBKHBK53.5°54.4°
O1C1C2H260.1°57.8°
O5C1C2H1122.2°120.1°
C1O5C5C6164.8°178.9°
C1O5C5C475.2°61.1°
O5C1C2C363.4°57.6°
O5C1C2O2174.2°177.5°
O5C1C2H255.6°62.2°
C1O5C5H545.4°58.9°
C2C1O5C581.0°61.2°
C1C2C3C448.5°57.0°
C1C2C3O3172.7°176.8°
C1C2C3O2122.0°119.9°
C1C2C3H2119.4°119.9°
C1C2O2H2119.4°120.2°
C1C2C3H369.1°63.0°
C1C2O2HC124.4°60.0°
O5C5C6C4115.9°119.9°
O5C5C6H5123.1°120.0°
O5C5C4H5123.0°119.9°
O5C5C6O651.4°65.0°
O5C5C4O4167.0°177.5°
O5C5C4C352.0°57.6°
C5O5C1H147.9°58.9°
O5C5C6H6C168.6°175.0°
O5C5C6H6C2169.9°55.0°
O5C5C4H469.0°62.4°
C6C5C4H5119.5°120.1°
C5C6O6H6C1120.0°120.0°
C5C6O6H6C2118.4°120.0°
C6C5C4O475.5°62.5°
C6C5C4C3169.5°177.6°
C5C6H6C1H6C2118.5°120.0°
C6C5C4H448.5°57.6°
C5C6O6H6165.1°180.0°
C4C5C6O664.5°175.1°
C5C4O4C3119.2°119.7°
C5C4O4H4120.3°120.1°
C5C4C3H4120.6°120.0°
C5C4C3O3165.5°176.9°
C5C4C3C241.8°57.0°
C4C5C6H6C1175.5°55.0°
C4C5C6H6C253.9°64.9°
C5C4O4HA121.6°180.0°
C5C4C3H376.3°63.0°
O6C6C5H5174.5°55.0°
O6C6H6C1H6C2118.5°120.0°
O4C4C3H4124.0°120.2°
O4C4C3O379.1°63.3°
O4C4C3C2157.2°176.9°
O4C4C5H544.0°57.6°
O4C4C3H339.1°56.9°
C4C3O3C2124.2°119.6°
C4C3O3H3117.6°120.2°
C4C3C2H3117.6°119.9°
C4C3C2O2170.5°176.9°
C4C3C2H270.9°62.9°
C3C4C5H571.1°62.3°
C3C4O4HA119.2°60.3°
C4C3O3HB50.2°179.9°
O3C3C2H3118.3°120.2°
O3C3C2O265.3°63.2°
O3C3C2H253.2°57.0°
O3C3C4H444.9°56.9°
C3C2O2H2118.9°120.2°
C3C2C1H158.9°62.5°
C2C3C4H478.8°63.0°
C2C3O3HB74.1°60.5°
C3C2O2HC114.0°179.7°
O2C2C1H163.6°57.4°
O2C2C3H352.9°57.0°
HAMCAMCAKHAK0.2°0.1°
HAKCAKCAJHAJ0.0°0.0°
HAJCAJCALHAL0.2°0.0°
HAUNAUCANHAN1.1°0.1°
HAR1CARCAPHAP119.4°NaN°
HAR1CARCAPHAP2140.0°60.0°
HAR2CARCAPHAP1101.9°60.0°
HAR2CARCAPHAP218.7°180.0°
HAP1CAPNATHAT124.5°178.6°
HAP2CAPNATHAT3.9°58.7°
HATNATCAQHAQ1157.6°178.6°
HATNATCAQHAQ280.6°58.6°
HAQ1CAQCASHAS173.8°177.5°
HAQ1CAQCASHAS2167.2°57.5°
HAQ2CAQCASHAS147.9°62.5°
HAQ2CAQCASHAS271.1°177.5°
HAS1CASCBJHBJ140.1°178.6°
HAS2CASCBJHBJ100.9°58.7°
HBJCBJCBHHBH73.8°47.1°
HBHCBHCAHHAH1.7°179.4°
HBHCBHCBKHBK169.7°57.8°
HAHCAHCAAHAA10.0°0.1°
HAHCAHCAAHAA2180.0°180.0°
HAB1CABHAB2HAB3120.0°119.9°
H1C1C2H2177.8°177.7°
H2C2C3H3171.5°177.2°
H2C2O2HC5.0°60.2°
H5C5C6H6C154.5°65.0°
H5C5C6H6C267.0°175.0°
H5C5C4H4168.0°177.6°
H6C1C6O6H645.1°60.0°
H6C2C6O6H676.5°60.0°
H4C4O4HA1.3°59.9°
H4C4C3H3163.1°177.1°
H3C3O3HB167.7°59.8°

223532

PDB entries from 2024-08-07

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