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AEE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAQCAOsing1.53Å1.55Å
CAQNBGsing1.47Å1.49Å
CAQHAQ1sing1.09Å1.10Å
CAQHAQ2sing1.09Å1.10Å
CAONBFsing1.47Å1.50Å
CAOHAO1sing1.09Å1.10Å
CAOHAO2sing1.09Å1.10Å
NBFCANsing1.47Å1.49Å
NBFCAPsing1.47Å1.50Å
CANCAAsing1.53Å1.55Å
CANHAN1sing1.09Å1.10Å
CANHAN2sing1.09Å1.10Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CAAHAA3sing1.09Å1.10Å
CAPCARsing1.53Å1.56Å
CAPHAP1sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
CARNBGsing1.47Å1.51Å
CARHAR1sing1.09Å1.10Å
CARHAR2sing1.09Å1.10Å
NBGCASsing1.47Å1.50Å
CASCAXsing1.51Å1.53Å
CASHAS1sing1.09Å1.10Å
CASHAS2sing1.09Å1.10Å
CAXCAIdoub1.38Å1.40ÅAromatic
CAXCAJsing1.38Å1.39ÅAromatic
CAICAKsing1.38Å1.40ÅAromatic
CAIHAIsing1.08Å1.08Å
CAKCAYdoub1.40Å1.40ÅAromatic
CAKHAKsing1.08Å1.08Å
CAJCALdoub1.38Å1.39ÅAromatic
CAJHAJsing1.08Å1.08Å
CALCAYsing1.40Å1.39ÅAromatic
CALHALsing1.08Å1.08Å
CAYCBAsing1.48Å1.40ÅAromatic
CBANAWsing1.38Å1.34ÅAromatic
CBACAMdoub1.36Å1.33ÅAromatic
NAWC4sing1.37Å1.33ÅAromatic
NAWHAWsing0.97Å1.00Å
CAMC5sing1.46Å1.33ÅAromatic
CAMHAMsing1.08Å1.08Å
C5C4doub1.41Å1.39ÅAromatic
C5C6sing1.40Å1.40ÅAromatic
C4N3sing1.33Å1.35ÅAromatic
N3C2doub1.32Å1.34ÅAromatic
C2N1sing1.32Å1.33ÅAromatic
C2H2sing1.08Å1.08Å
N1C6doub1.33Å1.36ÅAromatic
C6NAVsing1.38Å1.34Å
NAVCBEsing1.46Å1.47Å
NAVHAVsing0.97Å1.00Å
CBECABsing1.53Å1.54Å
CBECAZsing1.51Å1.53Å
CBEHBEsing1.09Å1.10Å
CABHAB1sing1.09Å1.10Å
CABHAB2sing1.09Å1.10Å
CABHAB3sing1.09Å1.10Å
CAZCAGdoub1.38Å1.42ÅAromatic
CAZCAHsing1.38Å1.41ÅAromatic
CAGCADsing1.38Å1.40ÅAromatic
CAGHAGsing1.08Å1.08Å
CADCACdoub1.38Å1.40ÅAromatic
CADHADsing1.08Å1.08Å
CACCAEsing1.38Å1.41ÅAromatic
CACHACsing1.08Å1.08Å
CAECAHdoub1.38Å1.40ÅAromatic
CAEHAEsing1.08Å1.08Å
CAHHAHsing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAOCAQNBG110.0°109.6°
CAOCAQHAQ1109.2°109.4°
CAOCAQHAQ2109.3°109.4°
CAQCAONBF112.7°109.6°
CAQCAOHAO1107.7°109.4°
CAQCAOHAO2108.4°109.5°
NBGCAQHAQ1109.2°109.5°
NBGCAQHAQ2109.3°109.5°
CAQNBGCAR115.0°106.9°
CAQNBGCAS112.0°106.7°
HAQ1CAQHAQ2109.9°109.4°
NBFCAOHAO1107.7°109.5°
NBFCAOHAO2108.4°109.4°
CAONBFCAN111.5°106.7°
CAONBFCAP115.0°106.9°
HAO1CAOHAO2112.0°109.4°
CANNBFCAP113.3°106.7°
NBFCANCAA110.9°109.4°
NBFCANHAN1108.7°109.4°
NBFCANHAN2109.0°109.5°
NBFCAPCAR115.4°109.6°
NBFCAPHAP1106.2°109.5°
NBFCAPHAP2107.6°109.5°
CAACANHAN1108.7°109.5°
CAACANHAN2109.0°109.5°
CANCAAHAA1109.4°109.5°
CANCAAHAA2109.4°109.4°
CANCAAHAA3109.5°109.4°
HAN1CANHAN2110.6°109.5°
HAA1CAAHAA2109.5°109.5°
HAA1CAAHAA3109.5°109.5°
HAA2CAAHAA3109.5°109.4°
CARCAPHAP1106.2°109.4°
CARCAPHAP2107.5°109.4°
CAPCARNBG117.1°109.6°
CAPCARHAR1105.2°109.5°
CAPCARHAR2107.0°109.4°
HAP1CAPHAP2114.2°109.4°
NBGCARHAR1105.2°109.4°
NBGCARHAR2107.0°109.5°
CARNBGCAS113.8°106.7°
HAR1CARHAR2115.7°109.4°
NBGCASCAX104.4°109.5°
NBGCASHAS1112.3°109.4°
NBGCASHAS2111.2°109.5°
CAXCASHAS1112.3°109.5°
CAXCASHAS2111.2°109.5°
CASCAXCAI119.9°119.9°
CASCAXCAJ119.2°119.8°
HAS1CASHAS2105.6°109.5°
CAICAXCAJ120.9°120.3°
CAXCAICAK119.5°120.2°
CAXCAIHAI120.3°119.9°
CAXCAJCAL119.4°120.1°
CAXCAJHAJ120.3°120.0°
CAKCAIHAI120.2°119.9°
CAICAKCAY119.7°119.8°
CAICAKHAK120.2°120.1°
CAYCAKHAK120.1°120.1°
CAKCAYCAL119.9°119.8°
CAKCAYCBA120.8°120.1°
CALCAJHAJ120.3°119.9°
CAJCALCAY120.5°119.8°
CAJCALHAL119.8°120.1°
CAYCALHAL119.7°120.1°
CALCAYCBA119.3°120.1°
CAYCBANAW125.2°125.2°
CAYCBACAM125.7°125.3°
NAWCBACAM109.1°109.5°
CBANAWC4108.0°109.9°
CBANAWHAW126.0°125.1°
CBACAMC5108.1°106.8°
CBACAMHAM126.0°126.7°
C4NAWHAW126.0°125.0°
NAWC4C5107.2°107.5°
NAWC4N3133.3°134.0°
C5CAMHAM126.0°126.6°
CAMC5C4107.5°106.4°
CAMC5C6134.0°134.9°
C4C5C6118.4°118.7°
C5C4N3119.4°118.5°
C5C6N1119.0°118.3°
C5C6NAV120.0°120.9°
C4N3C2121.3°120.7°
N3C2N1120.7°122.8°
N3C2H2119.7°118.6°
N1C2H2119.6°118.6°
C2N1C6121.2°121.0°
N1C6NAV121.0°120.8°
C6NAVCBE119.5°120.0°
C6NAVHAV106.2°120.0°
CBENAVHAV106.3°120.0°
NAVCBECAB112.3°109.5°
NAVCBECAZ107.8°109.5°
NAVCBEHBE109.6°109.5°
CABCBECAZ111.9°109.5°
CABCBEHBE105.3°109.4°
CBECABHAB1109.5°109.4°
CBECABHAB2109.5°109.5°
CBECABHAB3109.5°109.5°
CAZCBEHBE110.0°109.4°
CBECAZCAG119.3°120.0°
CBECAZCAH119.9°120.0°
HAB1CABHAB2109.5°109.4°
HAB1CABHAB3109.4°109.5°
HAB2CABHAB3109.5°109.5°
CAGCAZCAH120.8°120.0°
CAZCAGCAD121.2°120.1°
CAZCAGHAG119.4°120.0°
CAZCAHCAE117.9°120.0°
CAZCAHHAH121.0°120.0°
CADCAGHAG119.4°119.9°
CAGCADCAC117.6°120.0°
CAGCADHAD121.2°120.0°
CACCADHAD121.2°120.0°
CADCACCAE121.5°120.0°
CADCACHAC119.3°120.0°
CAECACHAC119.3°120.0°
CACCAECAH121.0°120.1°
CACCAEHAE119.5°120.0°
CAHCAEHAE119.5°119.9°
CAECAHHAH121.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAOCAQNBGHAQ1119.8°120.0°
CAOCAQNBGHAQ2120.0°120.1°
CAOCAQHAQ1HAQ2119.9°119.9°
CAQCAONBFHAO1118.6°120.1°
CAQCAONBFHAO2120.0°120.1°
CAQCAOHAO1HAO2119.2°119.9°
CAQCAONBFCAN79.9°175.1°
CAQCAONBFCAP50.9°61.2°
CAOCAQNBGCAR51.5°61.2°
CAOCAQNBGCAS80.4°175.1°
NBGCAQHAQ1HAQ2119.8°119.9°
NBGCAQCAONBF58.3°63.0°
NBGCAQCAOHAO1176.9°57.1°
NBGCAQCAOHAO261.7°177.0°
CAQNBGCARCAP38.1°61.2°
CAQNBGCARCAS131.1°113.9°
CAQNBGCARHAR178.3°178.7°
CAQNBGCARHAR2158.2°58.8°
CAQNBGCASCAX115.6°170.0°
CAQNBGCASHAS1122.4°70.0°
CAQNBGCASHAS24.4°50.0°
HAQ1CAQCAONBF178.1°177.0°
HAQ1CAQCAOHAO163.4°62.9°
HAQ1CAQCAOHAO258.1°56.9°
HAQ1CAQNBGCAR171.3°178.7°
HAQ1CAQNBGCAS39.4°64.9°
HAQ2CAQCAONBF61.7°57.1°
HAQ2CAQCAOHAO156.9°177.2°
HAQ2CAQCAOHAO2178.3°62.9°
HAQ2CAQNBGCAR68.5°58.8°
HAQ2CAQNBGCAS159.6°55.0°
NBFCAOHAO1HAO2119.1°119.9°
CAONBFCANCAP131.6°114.0°
CAONBFCANCAA54.0°170.0°
CAONBFCANHAN1173.4°50.0°
CAONBFCANHAN266.0°70.0°
CAONBFCAPCAR35.6°61.2°
CAONBFCAPHAP1152.9°178.7°
CAONBFCAPHAP284.4°58.8°
HAO1CAONBFCAN38.7°55.0°
HAO1CAONBFCAP169.5°58.8°
HAO2CAONBFCAN160.1°64.8°
HAO2CAONBFCAP69.1°178.7°
NBFCANCAAHAN1119.4°119.9°
NBFCANCAAHAN2120.0°120.0°
NBFCANHAN1HAN2119.6°120.0°
NBFCANCAAHAA1106.1°60.0°
NBFCANCAAHAA213.9°179.9°
NBFCANCAAHAA3133.9°60.0°
CANNBFCAPCAR94.4°175.1°
CANNBFCAPHAP123.0°64.9°
CANNBFCAPHAP2145.6°55.0°
CAPNBFCANCAA174.4°56.0°
CAPNBFCANHAN155.0°63.9°
CAPNBFCANHAN265.6°176.1°
NBFCAPCARHAP1117.4°120.1°
NBFCAPCARHAP2120.0°120.1°
NBFCAPHAP1HAP2118.4°119.9°
NBFCAPCARNBG28.9°63.0°
NBFCAPCARHAR187.5°177.0°
NBFCAPCARHAR2148.9°57.1°
CAACANHAN1HAN2119.6°120.0°
CANCAAHAA1HAA2120.0°120.0°
CANCAAHAA1HAA3120.0°120.0°
CANCAAHAA2HAA3120.0°119.9°
HAN1CANCAAHAA1134.5°180.0°
HAN1CANCAAHAA2105.5°60.0°
HAN1CANCAAHAA314.5°59.9°
HAN2CANCAAHAA113.9°60.0°
HAN2CANCAAHAA2133.9°60.0°
HAN2CANCAAHAA3106.1°180.0°
HAA1CAAHAA2HAA3120.0°120.0°
CARCAPHAP1HAP2118.3°119.9°
CAPCARNBGHAR1116.5°120.1°
CAPCARNBGHAR2120.0°120.1°
CAPCARHAR1HAR2117.9°119.9°
CAPCARNBGCAS92.9°175.1°
HAP1CAPCARNBG146.3°177.0°
HAP1CAPCARHAR129.8°56.9°
HAP1CAPCARHAR293.7°62.9°
HAP2CAPCARNBG91.1°57.1°
HAP2CAPCARHAR1152.5°62.9°
HAP2CAPCARHAR228.9°177.2°
NBGCARHAR1HAR2117.8°119.9°
CARNBGCASCAX111.8°56.1°
CARNBGCASHAS110.1°176.0°
CARNBGCASHAS2128.2°64.0°
HAR1CARNBGCAS150.6°64.9°
HAR2CARNBGCAS27.1°55.0°
NBGCASCAXHAS1121.9°119.9°
NBGCASCAXHAS2120.0°120.1°
NBGCASHAS1HAS2121.3°120.0°
NBGCASCAXCAI75.2°90.0°
NBGCASCAXCAJ101.7°90.3°
CAXCASHAS1HAS2121.4°120.0°
CASCAXCAICAJ176.9°179.7°
CASCAXCAICAK177.9°180.0°
CASCAXCAIHAI2.1°0.1°
CASCAXCAJCAL177.9°179.8°
CASCAXCAJHAJ2.2°0.3°
HAS1CASCAXCAI162.9°29.9°
HAS1CASCAXCAJ20.2°149.7°
HAS2CASCAXCAI44.8°149.9°
HAS2CASCAXCAJ138.3°29.7°
CAXCAICAKHAI180.0°179.9°
CAXCAICAKCAY0.0°0.1°
CAXCAICAKHAK180.0°180.0°
CAICAXCAJCAL1.0°0.6°
CAICAXCAJHAJ179.0°180.0°
CAJCAXCAICAK1.0°0.3°
CAJCAXCAIHAI179.0°179.8°
CAXCAJCALHAJ180.0°179.5°
CAXCAJCALCAY0.1°0.5°
CAXCAJCALHAL179.9°179.7°
CAICAKCAYHAK180.0°179.9°
CAICAKCAYCAL1.1°0.1°
CAICAKCAYCBA178.8°180.0°
HAICAICAKCAY180.0°180.0°
HAICAICAKHAK0.0°0.1°
CAKCAYCALCAJ1.1°0.3°
CAKCAYCALCBA177.7°179.9°
CAKCAYCALHAL178.9°179.9°
CAKCAYCBANAW13.1°40.0°
CAKCAYCBACAM169.8°140.2°
HAKCAKCAYCAL178.9°180.0°
HAKCAKCAYCBA1.2°0.1°
CAJCALCAYHAL180.0°179.8°
CAJCALCAYCBA178.9°179.8°
HAJCAJCALCAY179.9°180.0°
HAJCAJCALHAL0.1°0.2°
CALCAYCBANAW164.6°140.1°
CALCAYCBACAM12.5°39.7°
HALCALCAYCBA1.2°0.0°
CAYCBANAWCAM177.5°179.8°
CAYCBANAWC4179.0°180.0°
CAYCBANAWHAW1.0°0.0°
CAYCBACAMC5178.8°179.9°
CAYCBACAMHAM1.1°0.1°
CBANAWC4HAW180.0°179.9°
NAWCBACAMC51.4°0.3°
NAWCBACAMHAM178.6°179.7°
CBANAWC4C51.0°0.0°
CBANAWC4N3180.0°180.0°
CAMCBANAWC41.5°0.2°
CAMCBANAWHAW178.5°179.7°
CBACAMC5HAM180.0°179.9°
CBACAMC5C40.7°0.4°
CBACAMC5C6179.9°179.9°
NAWC4C5CAM0.2°0.2°
NAWC4C5N3179.1°180.0°
NAWC4C5C6179.3°180.0°
NAWC4N3C2178.6°180.0°
HAWNAWC4C5179.0°180.0°
HAWNAWC4N30.0°0.0°
CAMC5C4C6179.5°179.8°
CAMC5C4N3179.4°179.8°
CAMC5C6N1178.9°179.7°
CAMC5C6NAV0.5°0.3°
HAMCAMC5C4179.3°179.7°
HAMCAMC5C60.1°0.0°
C5C4N3C20.3°0.0°
C4C5C6N10.4°0.0°
C4C5C6NAV179.9°180.0°
C6C5C4N30.1°0.0°
C5C6N1C20.3°0.0°
C5C6N1NAV179.4°180.0°
C5C6NAVCBE159.4°180.0°
C5C6NAVHAV80.6°0.0°
C4N3C2N10.5°0.0°
C4N3C2H2179.5°180.0°
N3C2N1H2180.0°179.9°
N3C2N1C60.2°0.1°
C2N1C6NAV179.7°180.0°
H2C2N1C6179.8°180.0°
N1C6NAVCBE20.0°0.0°
N1C6NAVHAV100.0°180.0°
C6NAVCBEHAV120.0°180.0°
C6NAVCBECAB156.5°85.0°
C6NAVCBECAZ79.8°155.0°
C6NAVCBEHBE39.9°35.0°
NAVCBECABCAZ121.4°120.1°
NAVCBECABHBE119.1°120.0°
NAVCBECAZHBE119.4°120.0°
NAVCBECABHAB197.9°60.0°
NAVCBECABHAB222.1°59.9°
NAVCBECABHAB3142.1°180.0°
NAVCBECAZCAG9.4°140.0°
NAVCBECAZCAH169.4°39.7°
HAVNAVCBECAB83.5°95.0°
HAVNAVCBECAZ40.2°25.0°
HAVNAVCBEHBE159.9°145.0°
CABCBECAZHBE116.6°119.9°
CBECABHAB1HAB2120.0°120.0°
CBECABHAB1HAB3120.0°120.0°
CBECABHAB2HAB3120.0°120.1°
CABCBECAZCAG114.5°99.9°
CABCBECAZCAH66.6°80.3°
CAZCBECABHAB1140.8°60.0°
CAZCBECABHAB299.2°180.0°
CAZCBECABHAB320.8°59.9°
CBECAZCAGCAH178.8°179.8°
CBECAZCAGCAD179.1°180.0°
CBECAZCAGHAG0.9°0.0°
CBECAZCAHCAE179.8°179.8°
CBECAZCAHHAH0.2°0.2°
HBECBECABHAB121.3°NaN°
HBECBECABHAB2141.3°60.1°
HBECBECABHAB398.7°60.0°
HBECBECAZCAG128.9°20.0°
HBECBECAZCAH50.0°159.8°
HAB1CABHAB2HAB3120.0°120.0°
CAZCAGCADHAG180.0°180.0°
CAZCAGCADCAC0.3°0.0°
CAZCAGCADHAD179.7°180.0°
CAGCAZCAHCAE1.0°0.4°
CAGCAZCAHHAH179.0°180.0°
CAHCAZCAGCAD0.3°0.2°
CAHCAZCAGHAG179.7°179.7°
CAZCAHCAECAC1.2°0.4°
CAZCAHCAEHAH180.0°179.6°
CAZCAHCAEHAE178.8°179.7°
CAGCADCACHAD180.0°180.0°
CAGCADCACCAE0.0°0.1°
CAGCADCACHAC179.9°179.9°
HAGCAGCADCAC179.8°180.0°
HAGCAGCADHAD0.2°0.0°
CADCACCAEHAC180.0°180.0°
CADCACCAECAH0.7°0.1°
CADCACCAEHAE179.3°180.0°
HADCADCACCAE180.0°179.9°
HADCADCACHAC0.0°0.1°
CACCAECAHHAE180.0°179.9°
CACCAECAHHAH178.8°180.0°
HACCACCAECAH179.3°179.9°
HACCACCAEHAE0.7°0.0°
HAECAECAHHAH1.2°0.1°

224931

PDB entries from 2024-09-11

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