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BII

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAICANsing1.53Å1.53Å
CANCAWsing1.53Å1.53Å
CANNAOsing1.49Å1.49Å
NAOSAPsing1.67Å1.67Å
SAPOAXdoub1.50Å1.50Å
SAPOAJdoub1.50Å1.50Å
SAPCAQsing1.77Å1.77Å
CAQCAYsing1.40Å1.40ÅAromatic
CAQCAKdoub1.41Å1.41ÅAromatic
CAYCBCdoub1.39Å1.39ÅAromatic
CBCCAZsing1.39Å1.39ÅAromatic
CAZCARdoub1.40Å1.40ÅAromatic
CARCAKsing1.40Å1.40ÅAromatic
CAKNAEsing1.36Å1.36Å
NAEC4sing1.36Å1.36Å
C4N3sing1.35Å1.35ÅAromatic
C4C5doub1.39Å1.39ÅAromatic
N3C2doub1.35Å1.35ÅAromatic
C5CL5sing1.74Å1.74Å
C5C6sing1.40Å1.40ÅAromatic
C6N1doub1.33Å1.33ÅAromatic
N1C2sing1.35Å1.35ÅAromatic
C2NAHsing1.34Å1.34Å
NAHCAMdoub1.34Å1.34Å
CAMCATsing1.40Å1.40Å
CAMCASsing1.41Å1.41Å
CATCBBdoub1.40Å1.40Å
CATOAUsing1.37Å1.37Å
CBBCBDsing1.40Å1.40Å
OAUCAVsing1.44Å1.44Å
CASCBAdoub1.40Å1.40Å
CBACBDsing1.40Å1.40Å
CBDNBEsing1.34Å1.34Å
NBECBGsing1.47Å1.47Å
NBECBFsing1.46Å1.46Å
CBGCBIsing1.53Å1.53Å
CBFCBHsing1.52Å1.52Å
CBHCBIsing1.52Å1.52Å
CBINBJsing1.49Å1.49Å
NBJCBKsing1.50Å1.50Å
CAIHAI1sing1.10Å1.10Å
CAIHAI2sing1.10Å1.10Å
CAIHAI3sing1.10Å1.10Å
CANHANsing1.10Å1.10Å
CAWHAW1sing1.10Å1.10Å
CAWHAW2sing1.10Å1.10Å
CAWHAW3sing1.10Å1.10Å
NAOHAOsing1.00Å1.00Å
CAYHAYsing1.08Å1.08Å
CBCHBCsing1.08Å1.08Å
CAZHAZsing1.08Å1.08Å
CARHARsing1.08Å1.08Å
NAEHAEsing1.00Å1.00Å
C6H6sing1.08Å1.08Å
CASHASsing1.08Å1.08Å
CBBHBBsing1.08Å1.08Å
CBDHBDsing1.10Å1.10Å
CAVHAV1sing1.10Å1.10Å
CAVHAV2sing1.10Å1.10Å
CAVHAV3sing1.10Å1.10Å
CBAHBAsing1.08Å1.08Å
CBGHBG1sing1.10Å1.10Å
CBGHBG2sing1.10Å1.10Å
CBFHBF1sing1.10Å1.10Å
CBFHBF2sing1.10Å1.10Å
CBIHBIsing1.10Å1.10Å
CBHHBH1sing1.10Å1.10Å
CBHHBH2sing1.10Å1.10Å
NBJHBJsing1.00Å1.00Å
CBKHBK1sing1.10Å1.10Å
CBKHBK2sing1.10Å1.10Å
CBKHBK3sing1.10Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAICANCAW107.9°107.9°
CAICANNAO110.1°110.1°
CANCAIHAI1109.5°109.5°
CANCAIHAI2109.5°109.5°
CANCAIHAI3109.5°109.5°
CAICANHAN110.6°110.6°
CAWCANNAO111.0°111.0°
CAWCANHAN109.8°109.8°
CANCAWHAW1109.5°109.5°
CANCAWHAW2109.5°109.4°
CANCAWHAW3109.4°109.4°
CANNAOSAP119.7°119.7°
NAOCANHAN107.5°107.5°
CANNAOHAO106.2°106.2°
NAOSAPOAX110.7°110.7°
NAOSAPOAJ109.3°109.3°
NAOSAPCAQ110.6°110.6°
SAPNAOHAO106.2°106.2°
OAXSAPOAJ107.4°107.4°
OAXSAPCAQ106.8°106.8°
OAJSAPCAQ112.0°112.0°
SAPCAQCAY116.8°116.8°
SAPCAQCAK122.8°122.8°
CAYCAQCAK120.4°120.4°
CAQCAYCBC121.1°121.1°
CAQCAYHAY119.5°119.5°
CAQCAKCAR117.7°117.7°
CAQCAKNAE120.6°120.6°
CAYCBCCAZ119.0°119.0°
CBCCAYHAY119.5°119.5°
CAYCBCHBC120.5°120.5°
CBCCAZCAR120.0°120.0°
CAZCBCHBC120.5°120.5°
CBCCAZHAZ120.0°120.0°
CAZCARCAK121.8°121.8°
CARCAZHAZ120.0°120.0°
CAZCARHAR119.1°119.1°
CARCAKNAE121.7°121.7°
CAKCARHAR119.1°119.1°
CAKNAEC4127.9°127.9°
CAKNAEHAE116.1°116.1°
NAEC4N3123.4°123.4°
NAEC4C5118.7°118.7°
C4NAEHAE116.0°116.0°
N3C4C5117.9°117.9°
C4N3C2121.5°121.5°
C4C5CL5119.3°119.3°
C4C5C6119.6°119.6°
N3C2N1120.7°120.7°
N3C2NAH120.6°120.6°
CL5C5C6121.1°121.1°
C5C6N1119.8°119.8°
C5C6H6120.1°120.1°
C6N1C2120.5°120.5°
N1C6H6120.1°120.1°
N1C2NAH118.6°118.6°
C2NAHCAM125.0°125.0°
NAHCAMCAT117.8°117.8°
NAHCAMCAS122.9°122.9°
CATCAMCAS119.3°119.3°
CAMCATCBB119.6°119.6°
CAMCATOAU118.6°118.6°
CAMCASCBA120.9°120.9°
CAMCASHAS119.6°119.6°
CBBCATOAU121.8°121.8°
CATCBBCBD121.6°121.6°
CATCBBHBB119.2°119.2°
CATOAUCAV115.8°115.8°
CBBCBDCBA119.0°119.0°
CBBCBDNBE118.3°118.3°
CBDCBBHBB119.2°119.2°
CBBCBDHBD171.9°171.9°
OAUCAVHAV1109.5°109.5°
OAUCAVHAV2109.4°109.5°
OAUCAVHAV3109.5°109.5°
CASCBACBD119.7°119.7°
CBACASHAS119.6°119.6°
CASCBAHBA120.1°120.1°
CBACBDNBE122.7°122.7°
CBACBDHBD53.1°53.1°
CBDCBAHBA120.2°120.2°
CBDNBECBG127.5°127.5°
CBDNBECBF123.7°123.7°
NBECBDHBD69.6°69.6°
CBGNBECBF108.8°108.8°
NBECBGCBI98.8°98.8°
NBECBGHBG1113.2°113.2°
NBECBGHBG2115.4°115.4°
NBECBFCBH104.5°104.5°
NBECBFHBF1111.2°111.2°
NBECBFHBF2112.3°112.3°
CBGCBICBH102.5°102.5°
CBGCBINBJ115.4°115.4°
CBICBGHBG1113.2°113.2°
CBICBGHBG2115.4°115.4°
CBGCBIHBI110.8°110.8°
CBFCBHCBI104.2°104.2°
CBHCBFHBF1111.2°111.2°
CBHCBFHBF2112.2°112.2°
CBFCBHHBH1111.3°111.3°
CBFCBHHBH2112.4°112.4°
CBHCBINBJ111.0°111.0°
CBHCBIHBI115.3°115.3°
CBICBHHBH1111.3°111.3°
CBICBHHBH2112.4°112.4°
CBINBJCBK114.3°114.3°
NBJCBIHBI102.3°102.3°
CBINBJHBJ107.9°107.9°
CBKNBJHBJ107.9°107.9°
NBJCBKHBK1109.5°109.5°
NBJCBKHBK2109.5°109.5°
NBJCBKHBK3109.5°109.4°
HAI1CAIHAI2109.4°109.4°
HAI1CAIHAI3109.4°109.4°
HAI2CAIHAI3109.5°109.5°
HAW1CAWHAW2109.5°109.5°
HAW1CAWHAW3109.4°109.4°
HAW2CAWHAW3109.5°109.5°
HAV1CAVHAV2109.4°109.5°
HAV1CAVHAV3109.4°109.4°
HAV2CAVHAV3109.5°109.5°
HBG1CBGHBG2101.5°101.5°
HBF1CBFHBF2105.7°105.7°
HBH1CBHHBH2105.5°105.5°
HBK1CBKHBK2109.4°109.4°
HBK1CBKHBK3109.5°109.5°
HBK2CBKHBK3109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAICANCAWNAO120.7°120.7°
CAICANCAWHAN120.6°120.6°
CAICANNAOHAN120.6°120.6°
CAICANNAOSAP135.1°135.1°
CANCAIHAI1HAI2120.0°120.0°
CANCAIHAI1HAI3120.0°120.0°
CANCAIHAI2HAI3120.0°120.0°
CAICANCAWHAW14.4°4.4°
CAICANCAWHAW2124.4°124.4°
CAICANCAWHAW3115.6°115.6°
CAICANNAOHAO104.9°104.9°
CAWCANNAOHAN120.0°120.0°
CAWCANNAOSAP105.5°105.5°
CAWCANCAIHAI1128.5°128.5°
CAWCANCAIHAI2111.6°111.6°
CAWCANCAIHAI38.5°8.5°
CANCAWHAW1HAW2120.0°120.0°
CANCAWHAW1HAW3120.0°120.0°
CANCAWHAW2HAW3120.0°120.0°
CAWCANNAOHAO14.5°14.5°
CANNAOSAPHAO120.0°120.0°
CANNAOSAPOAX156.6°156.6°
CANNAOSAPOAJ85.3°85.3°
CANNAOSAPCAQ38.4°38.4°
NAOCANCAIHAI1110.3°110.3°
NAOCANCAIHAI29.7°9.7°
NAOCANCAIHAI3129.7°129.7°
NAOCANCAWHAW1116.3°116.3°
NAOCANCAWHAW23.7°3.7°
NAOCANCAWHAW3123.7°123.7°
NAOSAPOAXOAJ119.2°119.2°
NAOSAPOAXCAQ120.5°120.5°
NAOSAPOAJCAQ122.9°122.9°
NAOSAPCAQCAY72.2°72.2°
NAOSAPCAQCAK107.1°107.1°
SAPNAOCANHAN14.5°14.5°
OAXSAPOAJCAQ116.9°116.9°
OAXSAPCAQCAY48.3°48.3°
OAXSAPCAQCAK132.3°132.3°
OAXSAPNAOHAO36.6°36.6°
OAJSAPCAQCAY165.6°165.6°
OAJSAPCAQCAK15.0°15.0°
OAJSAPNAOHAO154.7°154.7°
SAPCAQCAYCAK179.4°179.4°
SAPCAQCAYCBC179.7°179.7°
SAPCAQCAKCAR180.0°180.0°
SAPCAQCAKNAE1.3°1.3°
CAQSAPNAOHAO81.5°81.5°
SAPCAQCAYHAY0.3°0.3°
CAQCAYCBCHAY180.0°180.0°
CAQCAYCBCCAZ0.1°0.1°
CAYCAQCAKCAR0.7°0.7°
CAYCAQCAKNAE179.3°179.3°
CAQCAYCBCHBC179.8°179.8°
CAKCAQCAYCBC0.3°0.3°
CAQCAKCARCAZ0.9°0.9°
CAQCAKCARNAE178.7°178.7°
CAQCAKNAEC4151.6°151.6°
CAKCAQCAYHAY179.7°179.7°
CAQCAKCARHAR179.1°179.1°
CAQCAKNAEHAE28.3°28.3°
CAYCBCCAZHBC180.0°180.0°
CAYCBCCAZCAR0.4°0.4°
CAYCBCCAZHAZ179.6°179.6°
CBCCAZCARHAZ180.0°180.0°
CBCCAZCARCAK0.8°0.8°
CAZCBCCAYHAY179.9°179.9°
CBCCAZCARHAR179.2°179.2°
CAZCARCAKHAR180.0°180.0°
CAZCARCAKNAE179.6°179.6°
CARCAZCBCHBC179.6°179.6°
CARCAKNAEC429.7°29.7°
CAKCARCAZHAZ179.2°179.2°
CARCAKNAEHAE150.3°150.3°
CAKNAEC4HAE180.0°180.0°
CAKNAEC4N33.9°3.9°
CAKNAEC4C5176.5°176.5°
NAECAKCARHAR0.4°0.4°
NAEC4N3C5179.6°179.6°
NAEC4N3C2178.5°178.5°
NAEC4C5CL50.6°0.6°
NAEC4C5C6179.2°179.2°
N3C4C5CL5179.1°179.1°
N3C4C5C61.2°1.2°
C4N3C2N11.5°1.5°
C4N3C2NAH179.1°179.1°
N3C4NAEHAE176.1°176.1°
C5C4N3C21.9°1.9°
C4C5CL5C6179.7°179.7°
C4C5C6N10.1°0.1°
C5C4NAEHAE3.5°3.5°
C4C5C6H6179.9°179.9°
N3C2N1C60.4°0.4°
N3C2N1NAH179.4°179.4°
N3C2NAHCAM5.9°5.9°
CL5C5C6N1179.8°179.8°
CL5C5C6H60.2°0.2°
C5C6N1H6180.0°180.0°
C5C6N1C20.3°0.3°
C6N1C2NAH179.8°179.8°
N1C2NAHCAM173.5°173.5°
C2N1C6H6179.7°179.7°
C2NAHCAMCAT134.2°134.2°
C2NAHCAMCAS48.0°48.0°
NAHCAMCATCAS177.9°177.9°
NAHCAMCATCBB178.9°178.9°
NAHCAMCATOAU0.9°0.9°
NAHCAMCASCBA179.1°179.1°
NAHCAMCASHAS0.9°0.9°
CAMCATCBBOAU179.8°179.8°
CAMCATCBBCBD0.5°0.5°
CAMCATOAUCAV172.8°172.8°
CATCAMCASCBA1.3°1.3°
CATCAMCASHAS178.7°178.7°
CAMCATCBBHBB179.4°179.4°
CASCAMCATCBB1.0°1.0°
CASCAMCATOAU178.8°178.8°
CAMCASCBAHAS180.0°180.0°
CAMCASCBACBD1.1°1.1°
CAMCASCBAHBA178.9°178.9°
CATCBBCBDHBB180.0°180.0°
CBBCATOAUCAV7.5°7.5°
CATCBBCBDCBA0.3°0.3°
CATCBBCBDNBE179.8°179.8°
CATCBBCBDHBD11.8°11.8°
OAUCATCBBCBD179.2°179.2°
OAUCATCBBHBB0.8°0.8°
CATOAUCAVHAV175.3°75.3°
CATOAUCAVHAV244.7°44.8°
CATOAUCAVHAV3164.7°164.7°
CBBCBDCBACAS0.6°0.6°
CBBCBDCBANBE179.9°179.9°
CBBCBDCBAHBD177.9°177.9°
CBBCBDNBEHBD178.2°178.2°
CBBCBDNBECBG178.8°178.8°
CBBCBDNBECBF1.7°1.7°
CBBCBDCBAHBA179.4°179.4°
OAUCAVHAV1HAV2120.0°120.0°
OAUCAVHAV1HAV3120.0°120.0°
OAUCAVHAV2HAV3120.0°120.0°
CASCBACBDHBA180.0°180.0°
CASCBACBDNBE179.5°179.5°
CASCBACBDHBD177.3°177.3°
CBACBDNBEHBD1.9°1.9°
CBACBDNBECBG1.1°1.1°
CBACBDNBECBF178.4°178.4°
CBDCBACASHAS178.9°178.9°
CBACBDCBBHBB179.7°179.7°
CBDNBECBGCBF179.5°179.5°
CBDNBECBGCBI138.9°138.9°
CBDNBECBFCBH158.9°158.9°
NBECBDCBBHBB0.3°0.3°
NBECBDCBAHBA0.5°0.5°
CBDNBECBGHBG1101.1°101.1°
CBDNBECBGHBG215.3°15.3°
CBDNBECBFHBF138.9°38.9°
CBDNBECBFHBF279.2°79.2°
NBECBGCBIHBG1120.0°120.0°
NBECBGCBIHBG2123.6°123.6°
CBGNBECBFCBH21.6°21.6°
NBECBGCBICBH44.7°44.7°
NBECBGCBINBJ165.5°165.5°
CBGNBECBDHBD3.0°3.0°
NBECBGHBG1HBG2124.3°124.3°
CBGNBECBFHBF1141.6°141.6°
CBGNBECBFHBF2100.3°100.3°
NBECBGCBIHBI78.9°78.9°
CBFNBECBGCBI41.6°41.6°
NBECBFCBHHBF1120.0°120.0°
NBECBFCBHHBF2121.9°121.9°
NBECBFCBHCBI8.0°8.0°
CBFNBECBDHBD176.5°176.5°
CBFNBECBGHBG178.4°78.4°
CBFNBECBGHBG2165.2°165.2°
NBECBFHBF1HBF2122.0°122.0°
NBECBFCBHHBH1128.0°128.0°
NBECBFCBHHBH2114.0°114.0°
CBGCBICBHCBF33.0°33.0°
CBGCBICBHNBJ123.8°123.8°
CBGCBICBHHBI120.5°120.5°
CBGCBINBJHBI120.4°120.4°
CBGCBINBJCBK7.3°7.3°
CBICBGHBG1HBG2124.3°124.3°
CBGCBICBHHBH1153.0°153.0°
CBGCBICBHHBH288.9°88.9°
CBGCBINBJHBJ112.7°112.7°
CBFCBHCBIHBH1120.0°120.0°
CBFCBHCBIHBH2122.0°122.0°
CBFCBHCBINBJ156.8°156.8°
CBHCBFHBF1HBF2122.0°122.0°
CBFCBHCBIHBI87.5°87.5°
CBFCBHHBH1HBH2122.1°122.1°
CBHCBINBJHBI123.5°123.5°
CBHCBINBJCBK108.8°108.8°
CBHCBICBGHBG175.3°75.3°
CBHCBICBGHBG2168.3°168.3°
CBICBHCBFHBF1112.0°112.0°
CBICBHCBFHBF2129.9°129.9°
CBICBHHBH1HBH2122.2°122.2°
CBHCBINBJHBJ131.2°131.2°
CBINBJCBKHBJ120.0°120.0°
NBJCBICBGHBG145.5°45.5°
NBJCBICBGHBG270.9°70.9°
NBJCBICBHHBH183.2°83.2°
NBJCBICBHHBH234.9°34.9°
CBINBJCBKHBK159.7°59.7°
CBINBJCBKHBK2179.7°179.7°
CBINBJCBKHBK360.4°60.3°
CBKNBJCBIHBI127.7°127.7°
NBJCBKHBK1HBK2120.0°120.0°
NBJCBKHBK1HBK3120.0°120.0°
NBJCBKHBK2HBK3120.0°120.0°
HAI1CAIHAI2HAI3120.0°120.0°
HAI1CAICANHAN8.4°8.4°
HAI2CAICANHAN128.4°128.4°
HAI3CAICANHAN111.6°111.6°
HANCANCAWHAW1125.0°125.0°
HANCANCAWHAW2115.0°115.0°
HANCANCAWHAW35.0°5.0°
HANCANNAOHAO134.5°134.5°
HAW1CAWHAW2HAW3120.0°120.0°
HAYCAYCBCHBC0.1°0.1°
HBCCBCCAZHAZ0.4°0.4°
HAZCAZCARHAR0.8°0.8°
HASCASCBAHBA1.1°1.1°
HBBCBBCBDHBD168.2°168.2°
HBDCBDCBAHBA2.7°2.7°
HAV1CAVHAV2HAV3120.0°120.0°
HBG1CBGCBIHBI161.2°161.2°
HBG2CBGCBIHBI44.7°44.7°
HBF1CBFCBHHBH18.0°8.0°
HBF1CBFCBHHBH2126.0°126.0°
HBF2CBFCBHHBH1110.1°110.1°
HBF2CBFCBHHBH27.9°7.9°
HBICBICBHHBH132.5°32.5°
HBICBICBHHBH2150.6°150.6°
HBICBINBJHBJ7.7°7.7°
HBJNBJCBKHBK160.3°60.3°
HBJNBJCBKHBK259.7°59.7°
HBJNBJCBKHBK3179.6°179.7°
HBK1CBKHBK2HBK3120.0°120.0°

226262

PDB entries from 2024-10-16

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