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BQE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NCAsing1.47Å1.49Å
NCANsing1.47Å1.47Å
NCAOsing1.47Å1.49Å
CACsing1.51Å1.53Å
CACBsing1.53Å1.52Å
COdoub1.22Å1.23Å
CNAVsing1.33Å1.36Å
CBNAUsing1.47Å1.47Å
CAACAXsing1.51Å1.53Å
CAGCAZdoub1.39Å1.40ÅAromatic
CAGNASsing1.32Å1.40ÅAromatic
CAHCBAsing1.40Å1.40ÅAromatic
CAHNASdoub1.32Å1.41ÅAromatic
CAICAZsing1.39Å1.40ÅAromatic
CAICBAdoub1.40Å1.40ÅAromatic
CAJCANsing1.53Å1.53Å
CAJNAUsing1.47Å1.47Å
CAKCAOsing1.53Å1.53Å
CAKCBEsing1.53Å1.55Å
CALCAPsing1.53Å1.54Å
CALCBEsing1.53Å1.53Å
CAMCAQsing1.53Å1.54Å
CAMCBEsing1.53Å1.52Å
CAPCBHsing1.53Å1.54Å
CAQCBHsing1.53Å1.54Å
CAXCBCsing1.41Å1.37Å
CAXOACdoub1.21Å1.24Å
CAZNABsing1.40Å1.33Å
CBACBDsing1.48Å1.35Å
CBBNATsing1.35Å1.35Å
CBBNAVdoub1.33Å1.35Å
CBBSAWsing1.77Å1.62Å
CBCCBDdoub1.38Å1.37Å
CBCNATsing1.37Å1.37Å
CBDSAWsing1.77Å1.66Å
CBHFAEsing1.40Å1.38Å
CBHFAFsing1.40Å1.37Å
CAH2sing1.09Å1.10Å
CBH3sing1.09Å1.10Å
CBH4sing1.09Å1.10Å
CAAH5sing1.09Å1.10Å
CAAH6sing1.09Å1.10Å
CAAH7sing1.09Å1.10Å
CAGH8sing1.08Å1.08Å
CAHH9sing1.08Å1.08Å
CAIH10sing1.08Å1.08Å
CAJH11sing1.09Å1.10Å
CAJH12sing1.09Å1.10Å
CAKH13sing1.09Å1.10Å
CAKH14sing1.09Å1.10Å
CALH15sing1.09Å1.10Å
CALH16sing1.09Å1.10Å
CAMH17sing1.09Å1.10Å
CAMH18sing1.09Å1.10Å
CANH19sing1.09Å1.10Å
CANH20sing1.09Å1.10Å
CAOH21sing1.09Å1.10Å
CAOH22sing1.09Å1.10Å
CAPH23sing1.09Å1.10Å
CAPH24sing1.09Å1.10Å
CAQH25sing1.09Å1.10Å
CAQH26sing1.09Å1.10Å
CBEH27sing1.09Å1.10Å
NABH28sing0.97Å1.00Å
NABH29sing0.97Å1.00Å
NAUH30sing1.01Å1.00Å
NATH1sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CANCAN109.1°110.9°
CANCAO111.3°111.0°
NCAC107.6°109.5°
NCACB111.7°109.4°
NCAH2108.5°109.5°
CANNCAO109.7°111.0°
NCANCAJ111.7°109.4°
NCANH19108.9°109.5°
NCANH20108.9°109.5°
NCAOCAK111.9°109.4°
NCAOH21108.8°109.5°
NCAOH22108.9°109.4°
CCACB112.8°109.5°
CACO119.3°120.0°
CACNAV114.2°120.0°
CCAH2108.0°109.4°
CACBNAU107.8°109.4°
CBCAH2108.1°109.5°
CACBH3109.9°109.5°
CACBH4109.9°109.5°
OCNAV126.3°120.0°
CNAVCBB122.3°120.0°
CBNAUCAJ108.6°110.9°
NAUCBH3109.9°109.4°
NAUCBH4109.9°109.5°
CBNAUH30109.7°111.0°
CAACAXCBC122.0°120.0°
CAACAXOAC117.5°120.0°
CAXCAAH5109.5°109.5°
CAXCAAH6109.5°109.5°
CAXCAAH7109.4°109.4°
CAZCAGNAS118.9°121.1°
CAGCAZCAI120.2°119.2°
CAGCAZNAB119.7°120.4°
CAZCAGH8120.6°119.5°
CAGNASCAH120.2°121.9°
NASCAGH8120.6°119.4°
CBACAHNAS121.5°120.7°
CAHCBACAI117.0°118.9°
CAHCBACBD116.9°120.5°
CBACAHH9119.2°119.7°
NASCAHH9119.3°119.6°
CAZCAICBA122.1°118.2°
CAICAZNAB120.1°120.4°
CAZCAIH10119.0°120.9°
CAICBACBD125.7°120.6°
CBACAIH10118.9°120.9°
CANCAJNAU111.3°109.4°
CANCAJH11109.0°109.5°
CANCAJH12109.0°109.5°
CAJCANH19108.9°109.5°
CAJCANH20108.9°109.4°
NAUCAJH11109.0°109.5°
NAUCAJH12109.0°109.5°
CAJNAUH30109.7°111.0°
CAOCAKCBE113.0°109.5°
CAOCAKH13108.6°109.5°
CAOCAKH14108.6°109.5°
CAKCAOH21108.9°109.5°
CAKCAOH22108.8°109.5°
CAKCBECAL112.0°109.5°
CAKCBECAM111.7°109.5°
CBECAKH13108.6°109.4°
CBECAKH14108.6°109.5°
CAKCBEH27107.9°109.5°
CAPCALCBE109.0°109.5°
CALCAPCBH110.4°109.5°
CAPCALH15109.6°109.5°
CAPCALH16109.6°109.5°
CALCAPH23109.2°109.5°
CALCAPH24109.2°109.5°
CALCBECAM108.5°109.5°
CBECALH15109.6°109.5°
CBECALH16109.6°109.4°
CALCBEH27108.3°109.5°
CAQCAMCBE108.4°109.5°
CAMCAQCBH110.2°109.5°
CAQCAMH17109.7°109.5°
CAQCAMH18109.7°109.5°
CAMCAQH25109.3°109.5°
CAMCAQH26109.3°109.5°
CBECAMH17109.8°109.5°
CBECAMH18109.7°109.5°
CAMCBEH27108.3°109.5°
CAPCBHCAQ109.4°109.5°
CAPCBHFAE110.7°109.5°
CAPCBHFAF110.4°109.5°
CBHCAPH23109.2°109.4°
CBHCAPH24109.3°109.5°
CAQCBHFAE110.2°109.5°
CAQCBHFAF108.3°109.5°
CBHCAQH25109.3°109.4°
CBHCAQH26109.3°109.5°
CBCCAXOAC120.4°120.0°
CAXCBCCBD133.4°121.8°
CAXCBCNAT115.3°121.7°
CAZNABH28109.5°120.0°
CAZNABH29109.5°120.0°
CBACBDCBC137.6°127.4°
CBACBDSAW114.6°127.3°
NATCBBNAV124.4°127.1°
NATCBBSAW107.8°105.8°
CBBNATCBC116.1°117.5°
CBBNATH1122.0°121.3°
NAVCBBSAW127.7°127.1°
CBBSAWCBD97.1°94.8°
CBDCBCNAT111.2°116.6°
CBCCBDSAW107.8°105.3°
CBCNATH1122.0°121.3°
FAECBHFAF107.9°109.5°
H3CBH4109.5°109.5°
H5CAAH6109.4°109.5°
H5CAAH7109.5°109.5°
H6CAAH7109.5°109.5°
H11CAJH12109.5°109.4°
H13CAKH14109.5°109.5°
H15CALH16109.4°109.5°
H17CAMH18109.5°109.4°
H19CANH20109.5°109.5°
H21CAOH22109.5°109.5°
H23CAPH24109.5°109.5°
H25CAQH26109.5°109.5°
H28NABH29109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CANCANCAO122.2°123.9°
NCACCB123.7°119.9°
NCACH2116.9°120.0°
NCACBH2119.3°120.0°
NCACO39.8°32.6°
NCACNAV136.0°147.6°
NCACBNAU62.5°58.4°
CANCANCAJ52.8°59.3°
CANCAOCAK166.7°166.3°
NCACBH3177.7°178.3°
NCACBH457.2°61.6°
CANCANH19173.2°179.2°
CANCANH2067.5°60.6°
CANCAOH2146.3°46.3°
CANCAOH2273.0°73.7°
CANNCAC178.3°179.3°
CANNCACB57.4°59.3°
NCANCAJH19120.3°120.0°
NCANCAJH20120.3°120.0°
NCANCAJNAU55.7°58.4°
CANNCAOCAK72.5°69.9°
CANNCAH261.7°60.7°
NCANCAJH1164.6°61.6°
NCANCAJH12176.0°178.4°
NCANH19H20119.0°120.1°
CANNCAOH21167.1°170.1°
CANNCAOH2247.8°50.1°
CAONCAC57.1°56.8°
CAONCACB178.6°176.8°
CAONCANCAJ175.0°176.8°
NCAOCAKH21120.4°120.0°
NCAOCAKH22120.4°119.9°
NCAOCAKCBE161.2°180.0°
CAONCAH259.5°63.2°
NCAOCAKH1378.2°60.0°
NCAOCAKH1440.7°60.0°
CAONCANH1964.6°56.9°
CAONCANH2054.7°63.2°
NCAOH21H22118.9°120.0°
CCACBH2119.3°120.0°
CACONAV175.2°179.9°
CCACBNAU176.2°178.4°
CACNAVCBB172.8°180.0°
CCACBH356.4°61.7°
CCACBH464.1°58.4°
CBCACO83.9°87.4°
CBCACNAV100.4°92.5°
CACBNAUH3119.7°120.0°
CACBNAUH4119.7°120.0°
CACBNAUCAJ62.2°59.3°
CACBH3H4120.8°120.1°
CACBNAUH3057.6°64.6°
OCNAVCBB2.6°0.1°
OCCAH2156.7°152.6°
CNAVCBBNAT175.4°180.0°
CNAVCBBSAW0.5°0.4°
NAVCCAH219.0°27.5°
CBNAUCAJCAN59.9°59.3°
CBNAUCAJH30119.9°123.8°
NAUCBCAH256.8°61.6°
NAUCBH3H4120.8°120.0°
CBNAUCAJH1160.4°60.7°
CBNAUCAJH12179.9°179.3°
CAACAXCBCOAC175.7°180.0°
CAACAXCBCCBD10.8°173.6°
CAACAXCBCNAT168.8°6.9°
CAXCAAH5H6120.0°120.0°
CAXCAAH5H7120.0°120.0°
CAXCAAH6H7120.0°120.0°
CAZCAGNASH8180.0°179.8°
CAZCAGNASCAH0.0°0.0°
CAGCAZCAINAB179.5°179.9°
CAGCAZCAICBA2.9°0.0°
CAGCAZCAIH10177.1°179.9°
CAGCAZNABH28180.0°0.0°
CAGCAZNABH2960.0°180.0°
CAGNASCAHCBA1.9°0.0°
NASCAGCAZCAI0.4°0.0°
NASCAGCAZNAB180.0°179.9°
CAGNASCAHH9178.1°180.0°
CBACAHNASH9180.0°180.0°
CAHCBACAICAZ4.7°0.0°
CAHCBACAICBD173.3°180.0°
CAHCBACBDCBC151.4°54.7°
CAHCBACBDSAW30.0°125.4°
CAHCBACAIH10175.3°179.9°
NASCAHCBACAI4.1°0.0°
NASCAHCBACBD178.0°180.0°
CAHNASCAGH8180.0°179.7°
CAZCAICBAH10180.0°179.9°
CAZCAICBACBD177.9°180.0°
CAICAZCAGH8179.6°179.7°
CAICAZNABH280.5°180.0°
CAICAZNABH29119.5°0.1°
CBACAICAZNAB177.6°179.9°
CAICBACBDCBC35.4°125.3°
CAICBACBDSAW143.3°54.6°
CAICBACAHH9175.9°180.0°
CANCAJNAUH11120.3°120.0°
CANCAJNAUH12120.3°120.0°
CANCAJH11H12119.1°120.1°
CAJCANH19H20119.0°120.0°
CANCAJNAUH3060.0°64.5°
CAJNAUCBH3178.0°179.3°
CAJNAUCBH457.5°60.7°
NAUCAJH11H12119.2°120.0°
NAUCAJCANH19176.0°178.4°
NAUCAJCANH2064.6°61.6°
CAOCAKCBEH13120.5°120.0°
CAOCAKCBEH14120.5°120.0°
CAOCAKCBECAL64.7°175.0°
CAOCAKCBECAM57.3°65.0°
CAOCAKH13H14118.4°120.0°
CAKCAOH21H22118.9°120.0°
CAOCAKCBEH27176.2°55.0°
CAKCBECALCAP173.1°180.0°
CAKCBECALCAM123.8°120.0°
CAKCBECALH27118.9°120.0°
CAKCBECAMCAQ172.5°180.0°
CAKCBECAMH27118.7°120.0°
CBECAKH13H14118.4°120.0°
CAKCBECALH1553.2°60.0°
CAKCBECALH1667.0°60.0°
CAKCBECAMH1767.6°60.0°
CAKCBECAMH1852.7°59.9°
CBECAKCAOH2140.9°60.0°
CBECAKCAOH2278.4°60.1°
CAPCALCBEH15119.9°120.0°
CAPCALCBEH16120.0°120.1°
CAPCALCBECAM63.1°60.0°
CALCAPCBHH23120.1°119.9°
CALCAPCBHH24120.1°120.0°
CALCAPCBHCAQ56.8°60.0°
CALCAPCBHFAE178.4°180.0°
CALCAPCBHFAF62.3°60.0°
CAPCALH15H16120.3°120.1°
CALCAPH23H24119.6°120.0°
CAPCALCBEH2754.2°60.0°
CALCBECAMCAQ63.5°60.0°
CALCBECAMH27117.3°120.0°
CBECALCAPCBH59.9°60.0°
CALCBECAKH1355.8°65.0°
CALCBECAKH14174.8°55.0°
CBECALH15H16120.2°119.9°
CALCBECAMH1756.3°60.0°
CALCBECAMH18176.7°180.0°
CBECALCAPH23180.0°180.0°
CBECALCAPH2460.2°60.0°
CAQCAMCBEH17119.8°120.0°
CAQCAMCBEH18119.8°120.0°
CAMCAQCBHCAP57.4°60.0°
CAMCAQCBHH25120.1°120.1°
CAMCAQCBHH26120.1°120.0°
CAMCAQCBHFAE179.3°180.0°
CAMCAQCBHFAF62.9°60.0°
CAQCAMH17H18120.5°120.0°
CAMCAQH25H26119.6°120.0°
CAQCAMCBEH2753.8°60.0°
CBECAMCAQCBH61.0°60.0°
CAMCBECAKH13177.8°55.0°
CAMCBECAKH1463.2°175.0°
CAMCBECALH15176.9°180.0°
CAMCBECALH1656.8°60.0°
CBECAMH17H18120.5°120.0°
CBECAMCAQH2559.1°60.0°
CBECAMCAQH26178.8°180.0°
CAPCBHCAQFAE121.9°120.0°
CAPCBHCAQFAF120.3°120.0°
CAPCBHFAEFAF120.8°120.0°
CBHCAPCALH15179.8°180.0°
CBHCAPCALH1660.0°60.0°
CBHCAPH23H24119.6°120.0°
CAPCBHCAQH2562.7°60.0°
CAPCBHCAQH26177.5°180.0°
CAQCBHFAEFAF118.0°120.0°
CBHCAQCAMH1758.8°60.0°
CBHCAQCAMH18179.2°180.0°
CAQCBHCAPH23176.9°180.0°
CAQCBHCAPH2463.4°60.0°
CBHCAQH25H26119.7°119.9°
CAXCBCCBDCBA2.1°0.0°
CAXCBCNATCBB178.7°180.0°
CAXCBCCBDNAT179.6°179.6°
CAXCBCCBDSAW179.2°180.0°
CBCCAXCAAH5175.8°5.4°
CBCCAXCAAH664.2°125.5°
CBCCAXCAAH755.8°114.6°
CAXCBCNATH11.3°0.0°
OACCAXCBCCBD173.5°6.4°
OACCAXCBCNAT6.9°173.2°
OACCAXCAAH50.0°174.5°
OACCAXCAAH6120.0°54.5°
OACCAXCAAH7120.0°65.5°
NABCAZCAGH80.0°0.3°
NABCAZCAIH102.4°0.0°
CAZNABH28H29120.0°179.9°
CBACBDSAWCBB179.2°179.8°
CBACBDCBCSAW178.7°180.0°
CBACBDCBCNAT178.3°179.6°
CBDCBACAHH92.0°0.0°
CBDCBACAIH102.1°0.1°
NATCBBNAVSAW175.9°179.7°
CBBNATCBCCBD1.0°0.4°
CBBNATCBCH1180.0°180.0°
NATCBBSAWCBD0.6°0.0°
NAVCBBNATCBC177.7°180.0°
NAVCBBSAWCBD177.1°179.7°
NAVCBBNATH12.3°0.1°
CBBSAWCBDCBC0.1°0.2°
SAWCBBNATCBC1.0°0.2°
SAWCBBNATH1179.0°179.8°
CBDCBCNATH1179.0°179.6°
NATCBCCBDSAW0.4°0.4°
FAECBHCAPH2361.5°60.0°
FAECBHCAPH2458.3°60.0°
FAECBHCAQH2559.2°60.0°
FAECBHCAQH2660.6°60.0°
FAFCBHCAPH2357.9°60.0°
FAFCBHCAPH24177.6°180.0°
FAFCBHCAQH25177.0°180.0°
FAFCBHCAQH2657.2°60.0°
H2CACBH362.9°58.3°
H2CACBH4176.5°178.4°
H3CBNAUH3062.1°55.4°
H4CBNAUH30177.3°175.4°
H5CAAH6H7120.0°120.0°
H11CAJCANH1955.7°58.4°
H11CAJCANH20175.1°178.4°
H11CAJNAUH30179.7°175.4°
H12CAJCANH1963.7°61.6°
H12CAJCANH2055.6°58.4°
H12CAJNAUH3060.2°55.5°
H13CAKCAOH21161.4°180.0°
H13CAKCAOH2242.1°59.9°
H13CAKCBEH2763.2°175.0°
H14CAKCAOH2179.6°60.0°
H14CAKCAOH22161.1°179.9°
H14CAKCBEH2755.7°65.0°
H15CALCAPH2360.1°60.1°
H15CALCAPH2459.7°60.0°
H15CALCBEH2765.7°60.0°
H16CALCAPH2360.1°60.0°
H16CALCAPH24179.8°180.0°
H16CALCBEH27174.2°180.0°
H17CAMCAQH25178.9°180.0°
H17CAMCAQH2661.3°60.0°
H17CAMCBEH27173.6°180.0°
H18CAMCAQH2560.7°60.0°
H18CAMCAQH2659.0°60.0°
H18CAMCBEH2766.0°60.0°

223790

PDB entries from 2024-08-14

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