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GI5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAVCAUsing1.51Å1.53Å
OAWCAUdoub1.21Å1.23Å
CAUNATsing1.35Å1.37Å
NATCASsing1.36Å1.33ÅAromatic
NATCAXsing1.39Å1.36ÅAromatic
CASCARdoub1.36Å1.34ÅAromatic
CAXCBCdoub1.39Å1.36ÅAromatic
CAXCAYsing1.40Å1.35ÅAromatic
CBCCBBsing1.38Å1.40ÅAromatic
CARCAYsing1.48Å1.36ÅAromatic
CARCAQsing1.47Å1.37Å
NAPCAQsing1.35Å1.36Å
NAPCAOsing1.40Å1.37Å
CAYCAZdoub1.39Å1.35ÅAromatic
CBBCBAdoub1.39Å1.39ÅAromatic
CAQOBDdoub1.22Å1.22Å
CAOCBEdoub1.39Å1.39ÅAromatic
CAOCANsing1.39Å1.41ÅAromatic
CBECACsing1.40Å1.41ÅAromatic
CAMCALsing1.53Å1.53Å
CAMCAHsing1.53Å1.52Å
CANCAEdoub1.38Å1.42ÅAromatic
CACCABsing1.48Å1.41Å
CACCADdoub1.40Å1.40ÅAromatic
CAZCBAsing1.38Å1.41ÅAromatic
OAGCAFsing1.43Å1.39Å
OAGCAHsing1.43Å1.41Å
OAACABdoub1.21Å1.27Å
CABOBFsing1.35Å1.25Å
CAECADsing1.38Å1.39ÅAromatic
CAECAFsing1.51Å1.41Å
CALCAKsing1.53Å1.46Å
CAHOAIsing1.43Å1.43Å
CAKCAJsing1.53Å1.50Å
OAICAJsing1.43Å1.49Å
CAMH1sing1.09Å1.10Å
CAMH2sing1.09Å1.10Å
CALH3sing1.09Å1.10Å
CALH4sing1.09Å1.10Å
CAKH5sing1.09Å1.10Å
CAKH6sing1.09Å1.10Å
CAJH7sing1.09Å1.10Å
CAJH8sing1.09Å1.10Å
CAHH9sing1.09Å1.10Å
CAFH10sing1.09Å1.10Å
CAFH11sing1.09Å1.10Å
CANH12sing1.08Å1.08Å
CADH13sing1.08Å1.08Å
OBFH14sing0.97Å0.95Å
CBEH15sing1.08Å1.08Å
NAPH16sing0.97Å1.00Å
CASH17sing1.08Å1.08Å
CAZH18sing1.08Å1.08Å
CBAH19sing1.08Å1.08Å
CBBH20sing1.08Å1.08Å
CBCH21sing1.08Å1.08Å
CAVH22sing1.09Å1.10Å
CAVH23sing1.09Å1.10Å
CAVH24sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAVCAUOAW116.3°120.0°
CAVCAUNAT118.6°120.0°
CAUCAVH22109.5°109.5°
CAUCAVH23109.5°109.5°
CAUCAVH24109.5°109.5°
OAWCAUNAT124.8°120.0°
CAUNATCAS125.7°124.9°
CAUNATCAX127.4°124.9°
CASNATCAX106.8°110.1°
NATCASCAR110.1°109.7°
NATCASH17124.9°125.1°
NATCAXCBC131.3°133.2°
NATCAXCAY108.5°107.4°
CASCARCAY107.4°106.7°
CASCARCAQ124.5°126.6°
CARCASH17125.0°125.2°
CBCCAXCAY120.1°119.4°
CAXCBCCBB122.2°119.9°
CAXCBCH21118.9°120.0°
CAXCAYCAR107.1°106.0°
CAXCAYCAZ120.0°120.1°
CBCCBBCBA117.3°120.6°
CBCCBBH20121.3°119.7°
CBBCBCH21118.9°120.0°
CAYCARCAQ127.9°126.7°
CARCAYCAZ132.9°133.9°
CARCAQNAP118.1°120.0°
CARCAQOBD120.2°120.0°
CAQNAPCAO123.9°120.0°
NAPCAQOBD121.2°120.0°
CAQNAPH16118.1°120.0°
NAPCAOCBE117.4°120.0°
NAPCAOCAN124.6°120.0°
CAONAPH16118.0°120.0°
CAYCAZCBA121.6°119.7°
CAYCAZH18119.2°120.1°
CBBCBACAZ118.7°120.3°
CBBCBAH19120.7°119.9°
CBACBBH20121.3°119.7°
CBECAOCAN117.6°120.0°
CAOCBECAC121.9°119.8°
CAOCBEH15119.1°120.1°
CAOCANCAE120.9°120.2°
CAOCANH12119.5°119.9°
CBECACCAB119.6°120.1°
CBECACCAD120.2°119.8°
CACCBEH15119.1°120.1°
CALCAMCAH106.9°109.2°
CAMCALCAK107.7°109.0°
CALCAMH1110.1°109.5°
CALCAMH2110.1°109.5°
CAMCALH3109.9°109.5°
CAMCALH4109.9°109.6°
CAMCAHOAG106.6°109.5°
CAMCAHOAI113.2°109.4°
CAHCAMH1110.1°109.6°
CAHCAMH2110.1°109.6°
CAMCAHH9109.3°109.5°
CANCAECAD120.0°120.2°
CANCAECAF123.5°119.9°
CAECANH12119.5°119.9°
CABCACCAD120.1°120.1°
CACCABOAA121.8°120.0°
CACCABOBF119.3°120.0°
CACCADCAE119.2°120.0°
CACCADH13120.4°120.0°
CBACAZH18119.2°120.1°
CAZCBAH19120.6°119.9°
CAFOAGCAH115.5°114.0°
OAGCAFCAE110.1°109.4°
OAGCAFH10109.3°109.5°
OAGCAFH11109.3°109.5°
OAGCAHOAI106.3°109.5°
OAGCAHH9110.8°109.5°
OAACABOBF118.9°120.0°
CABOBFH14109.5°117.0°
CADCAECAF116.5°119.9°
CAECADH13120.4°120.0°
CAECAFH10109.3°109.4°
CAECAFH11109.3°109.5°
CALCAKCAJ105.4°109.2°
CAKCALH3109.9°109.5°
CAKCALH4109.9°109.6°
CALCAKH5110.5°109.5°
CALCAKH6110.5°109.5°
CAHOAICAJ111.5°114.1°
OAICAHH9110.6°109.5°
CAKCAJOAI106.8°109.5°
CAJCAKH5110.5°109.5°
CAJCAKH6110.5°109.5°
CAKCAJH7110.1°109.5°
CAKCAJH8110.2°109.5°
OAICAJH7110.2°109.5°
OAICAJH8110.1°109.4°
H1CAMH2109.5°109.6°
H3CALH4109.5°109.6°
H5CAKH6109.5°109.6°
H7CAJH8109.5°109.5°
H10CAFH11109.5°109.5°
H22CAVH23109.4°109.5°
H22CAVH24109.5°109.4°
H23CAVH24109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAVCAUOAWNAT173.0°180.0°
CAVCAUNATCAS1.8°0.0°
CAVCAUNATCAX177.6°179.7°
CAUCAVH22H23120.0°120.0°
CAUCAVH22H24120.0°120.0°
CAUCAVH23H24120.0°120.0°
OAWCAUNATCAS171.1°180.0°
OAWCAUNATCAX4.8°0.3°
OAWCAUCAVH220.0°180.0°
OAWCAUCAVH23120.0°60.0°
OAWCAUCAVH24120.0°60.0°
CAUNATCASCAX176.5°179.7°
CAUNATCASCAR179.0°180.0°
CAUNATCAXCBC4.1°0.4°
CAUNATCAXCAY177.6°179.8°
CAUNATCASH171.1°0.0°
NATCAUCAVH22173.5°0.0°
NATCAUCAVH2353.5°120.0°
NATCAUCAVH2466.5°120.0°
NATCASCARH17180.0°179.9°
CASNATCAXCBC179.5°179.9°
CASNATCAXCAY1.2°0.4°
NATCASCARCAY2.8°0.1°
NATCASCARCAQ177.7°179.7°
CAXNATCASCAR2.4°0.2°
NATCAXCBCCAY178.1°179.4°
NATCAXCBCCBB178.4°179.4°
NATCAXCAYCAR0.5°0.5°
NATCAXCAYCAZ178.8°179.6°
CAXNATCASH17177.6°179.7°
NATCAXCBCH211.6°0.6°
CASCARCAYCAX2.0°0.3°
CASCARCAYCAQ174.7°179.7°
CASCARCAQNAP22.3°0.4°
CASCARCAYCAZ179.9°179.7°
CASCARCAQOBD149.6°179.7°
CAXCBCCBBH21180.0°180.0°
CBCCAXCAYCAR178.0°180.0°
CBCCAXCAYCAZ0.3°0.1°
CAXCBCCBBCBA0.3°0.0°
CAXCBCCBBH20179.7°180.0°
CAYCAXCBCCBB0.2°0.1°
CAXCAYCARCAZ178.0°180.0°
CAXCAYCARCAQ176.6°180.0°
CAXCAYCAZCBA0.3°0.0°
CAXCAYCAZH18179.7°180.0°
CAYCAXCBCH21179.8°179.9°
CBCCBBCBAH20180.0°180.0°
CBCCBBCBACAZ0.8°0.0°
CBCCBBCBAH19179.2°180.0°
CAYCARCAQNAP163.9°180.0°
CAYCARCAQOBD24.3°0.1°
CARCAYCAZCBA178.0°180.0°
CAYCARCASH17177.3°180.0°
CARCAYCAZH181.9°0.0°
CARCAQNAPOBD171.7°180.0°
CARCAQNAPCAO171.4°174.7°
CAQCARCAYCAZ5.4°0.0°
CARCAQNAPH168.7°5.2°
CAQCARCASH172.4°0.3°
CAQNAPCAOH16180.0°179.9°
CAQNAPCAOCBE139.5°146.9°
CAQNAPCAOCAN47.3°33.8°
CAONAPCAQOBD0.4°5.3°
NAPCAOCBECAN173.7°179.3°
NAPCAOCBECAC175.1°180.0°
NAPCAOCANCAE175.9°179.8°
NAPCAOCANH124.1°0.2°
NAPCAOCBEH154.9°0.5°
CAYCAZCBACBB0.8°0.0°
CAYCAZCBAH18180.0°180.0°
CAYCAZCBAH19179.2°180.0°
CBBCBACAZH19180.0°180.0°
CBBCBACAZH18179.2°180.0°
CBACBBCBCH21179.7°180.0°
OBDCAQNAPH16179.6°174.7°
CAOCBECACH15180.0°179.4°
CBECAOCANCAE2.7°0.4°
CAOCBECACCAB178.4°179.5°
CAOCBECACCAD0.4°0.5°
CBECAOCANH12177.3°179.5°
CBECAONAPH1640.5°33.2°
CANCAOCBECAC1.4°0.7°
CAOCANCAEH12180.0°179.9°
CAOCANCAECAD2.2°0.1°
CAOCANCAECAF177.3°179.8°
CANCAOCBEH15178.6°179.9°
CANCAONAPH16132.8°146.1°
CBECACCABCAD178.1°180.0°
CBECACCABOAA13.5°180.0°
CBECACCABOBF167.0°0.0°
CBECACCADCAE1.0°0.0°
CBECACCADH13179.1°179.9°
CALCAMCAHH1119.6°119.9°
CALCAMCAHH2119.6°119.9°
CALCAMCAHOAG168.8°177.6°
CAMCALCAKH3119.7°119.8°
CAMCALCAKH4119.7°119.9°
CALCAMCAHOAI52.3°57.6°
CAMCALCAKCAJ70.9°56.9°
CALCAMH1H2121.2°120.1°
CAMCALH3H4120.9°120.2°
CAMCALCAKH5169.7°176.8°
CAMCALCAKH648.4°62.9°
CALCAMCAHH971.4°62.4°
CAMCAHOAGCAF152.8°175.0°
CAMCAHOAGOAI121.0°120.0°
CAMCAHOAGH9118.8°120.0°
CAHCAMCALCAK61.1°57.0°
CAMCAHOAIH9123.0°120.0°
CAMCAHOAICAJ53.7°61.1°
CAHCAMH1H2121.2°120.2°
CAHCAMCALH358.7°62.9°
CAHCAMCALH4179.2°176.9°
CANCAECADCAC0.3°0.3°
CANCAECAFOAG21.5°89.7°
CANCAECADCAF179.5°179.7°
CANCAECAFH10141.6°150.3°
CANCAECAFH1198.6°30.3°
CANCAECADH13179.7°179.7°
CACCABOAAOBF179.6°179.9°
CABCACCADCAE179.0°180.0°
CABCACCADH131.0°0.1°
CACCABOBFH14179.6°179.9°
CABCACCBEH151.5°0.1°
CADCACCABOAA164.6°0.1°
CADCACCABOBF15.0°180.0°
CACCADCAEH13180.0°179.9°
CACCADCAECAF179.2°180.0°
CADCACCBEH15179.6°179.9°
CAZCBACBBH20179.2°179.9°
OAGCAFCAECAD159.0°90.0°
OAGCAFCAEH10120.1°120.0°
OAGCAFCAEH11120.1°120.0°
CAFOAGCAHOAI86.2°65.0°
CAFOAGCAHH934.0°55.0°
OAGCAFH10H11119.7°120.1°
CAHOAGCAFCAE157.1°180.0°
OAGCAHOAIH9120.4°120.0°
OAGCAHOAICAJ170.3°178.9°
OAGCAHCAMH149.2°57.7°
OAGCAHCAMH271.6°62.5°
CAHOAGCAFH1082.8°60.0°
CAHOAGCAFH1137.1°60.0°
OAACABOBFH140.0°0.0°
CADCAECAFH1038.9°30.0°
CADCAECAFH1180.9°150.0°
CADCAECANH12177.8°180.0°
CAECAFH10H11119.7°120.0°
CAFCAECANH122.7°0.3°
CAFCAECADH130.8°0.0°
CALCAKCAJH5119.3°119.9°
CALCAKCAJH6119.3°119.9°
CALCAKCAJOAI69.2°57.6°
CAKCALCAMH158.5°63.0°
CAKCALCAMH2179.3°176.9°
CAKCALH3H4120.8°120.2°
CALCAKH5H6121.9°120.2°
CALCAKCAJH750.3°62.4°
CALCAKCAJH8171.2°177.6°
CAHOAICAJCAK60.7°61.1°
OAICAHCAMH167.3°62.3°
OAICAHCAMH2171.9°177.5°
CAHOAICAJH758.9°58.9°
CAHOAICAJH8179.7°178.9°
CAKCAJOAIH7119.6°120.0°
CAKCAJOAIH8119.6°120.0°
CAJCAKCALH348.8°62.9°
CAJCAKCALH4169.3°176.8°
CAJCAKH5H6121.9°120.2°
CAKCAJH7H8121.3°120.0°
OAICAJCAKH5171.4°177.5°
OAICAJCAKH650.1°62.3°
OAICAJH7H8121.2°120.0°
CAJOAICAHH969.3°58.9°
H1CAMCALH3178.3°177.2°
H1CAMCALH461.2°56.9°
H1CAMCAHH9169.0°177.7°
H2CAMCALH360.9°57.1°
H2CAMCALH459.6°63.2°
H2CAMCAHH948.2°57.5°
H3CALCAKH570.5°57.0°
H3CALCAKH6168.2°177.2°
H4CALCAKH550.0°63.2°
H4CALCAKH671.3°57.0°
H5CAKCAJH769.0°57.5°
H5CAKCAJH851.9°62.5°
H6CAKCAJH7169.7°177.7°
H6CAKCAJH869.5°57.7°
H18CAZCBAH190.8°0.0°
H19CBACBBH200.8°0.1°
H20CBBCBCH210.3°0.1°
H22CAVH23H24120.0°120.0°

225946

PDB entries from 2024-10-09

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