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1EF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBCCBBdoub1.36Å1.41ÅAromatic
CBCCAWsing1.41Å1.45ÅAromatic
CAXCAWdoub1.40Å1.44ÅAromatic
CAXCAYsing1.36Å1.38ÅAromatic
CBBCBAsing1.39Å1.42ÅAromatic
CAWCAVsing1.42Å1.40ÅAromatic
CAYCATdoub1.39Å1.43ÅAromatic
CBACAZdoub1.36Å1.43ÅAromatic
CAVCAZsing1.41Å1.44ÅAromatic
CAVCAUdoub1.41Å1.42ÅAromatic
CATCAUsing1.36Å1.41ÅAromatic
CATCARsing1.51Å1.56Å
CALCAKdoub1.38Å1.41ÅAromatic
CALCAMsing1.38Å1.39ÅAromatic
CASCAQsing1.53Å1.50Å
CASCBDsing1.51Å1.56Å
CAPCAMsing1.51Å1.55Å
CAKCAIsing1.40Å1.42ÅAromatic
CAQCARsing1.53Å1.55Å
CAQNABsing1.46Å1.40Å
OBECBDdoub1.21Å1.24Å
CBDNBFsing1.35Å1.42Å
CAMCANdoub1.38Å1.40ÅAromatic
NABCACsing1.35Å1.38ÅAromatic
NABNAAsing1.29Å1.31ÅAromatic
OAJCAHdoub1.22Å1.22Å
NBFOBGsing1.41Å1.33Å
CAICAHsing1.48Å1.57Å
CAICAOdoub1.40Å1.38ÅAromatic
CACCADdoub1.35Å1.44ÅAromatic
CANCAOsing1.38Å1.41ÅAromatic
CAHNAGsing1.35Å1.44Å
NAANAEdoub1.29Å1.35ÅAromatic
CADNAEsing1.34Å1.36ÅAromatic
CADCAFsing1.51Å1.50Å
NAGCAFsing1.47Å1.43Å
CAUH1sing1.08Å1.08Å
CAZH2sing1.08Å1.08Å
CBAH3sing1.08Å1.08Å
CBBH4sing1.08Å1.08Å
CBCH5sing1.08Å1.08Å
CAXH6sing1.08Å1.08Å
CAYH7sing1.08Å1.08Å
CARH8sing1.09Å1.10Å
CARH9sing1.09Å1.10Å
CAQH10sing1.09Å1.10Å
CASH11sing1.09Å1.10Å
CASH12sing1.09Å1.10Å
NBFH13sing0.97Å1.00Å
OBGH14sing0.97Å0.95Å
CACH15sing1.08Å1.08Å
CAFH16sing1.09Å1.10Å
CAFH17sing1.09Å1.10Å
NAGH18sing0.97Å1.00Å
CAKH19sing1.08Å1.08Å
CALH20sing1.08Å1.08Å
CAPH21sing1.09Å1.10Å
CAPH22sing1.09Å1.10Å
CAPH23sing1.09Å1.10Å
CANH24sing1.08Å1.08Å
CAOH25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBBCBCCAW120.1°119.6°
CBCCBBCBA120.2°121.0°
CBCCBBH4119.9°119.4°
CBBCBCH5120.0°120.3°
CBCCAWCAX119.9°121.4°
CBCCAWCAV119.8°119.4°
CAWCBCH5120.0°120.1°
CAWCAXCAY120.0°119.7°
CAXCAWCAV120.3°119.3°
CAWCAXH6120.0°120.1°
CAXCAYCAT119.8°121.0°
CAYCAXH6120.0°120.2°
CAXCAYH7120.1°119.5°
CBBCBACAZ120.0°121.0°
CBBCBAH3120.0°119.5°
CBACBBH4119.9°119.6°
CAWCAVCAZ120.2°119.3°
CAWCAVCAU119.8°119.4°
CAYCATCAU120.3°121.0°
CAYCATCAR120.2°119.6°
CATCAYH7120.1°119.4°
CBACAZCAV119.7°119.6°
CBACAZH2120.1°120.2°
CAZCBAH3120.0°119.5°
CAZCAVCAU120.0°121.3°
CAVCAZH2120.2°120.2°
CAVCAUCAT119.8°119.6°
CAVCAUH1120.1°120.2°
CAUCATCAR119.5°119.5°
CATCAUH1120.1°120.2°
CATCARCAQ112.1°109.5°
CATCARH8108.8°109.5°
CATCARH9108.8°109.4°
CAKCALCAM120.2°120.2°
CALCAKCAI119.9°119.8°
CALCAKH19120.1°120.1°
CAKCALH20119.9°119.9°
CALCAMCAP120.4°119.9°
CALCAMCAN120.0°120.3°
CAMCALH20119.9°119.9°
CAQCASCBD118.9°109.5°
CASCAQCAR111.4°109.5°
CASCAQNAB113.4°109.5°
CASCAQH10107.9°109.4°
CAQCASH11107.1°109.5°
CAQCASH12107.1°109.5°
CASCBDOBE121.5°120.0°
CASCBDNBF119.6°120.1°
CBDCASH11107.0°109.5°
CBDCASH12107.1°109.5°
CAPCAMCAN119.7°119.9°
CAMCAPH21109.5°109.6°
CAMCAPH22109.5°109.5°
CAMCAPH23109.5°109.5°
CAKCAICAH121.1°120.2°
CAKCAICAO119.6°119.7°
CAICAKH19120.1°120.1°
CARCAQNAB107.7°109.5°
CAQCARH8108.8°109.5°
CAQCARH9108.8°109.5°
CARCAQH10107.2°109.5°
CAQNABCAC123.7°125.9°
CAQNABNAA126.9°125.9°
NABCAQH10109.1°109.5°
OBECBDNBF118.9°120.0°
CBDNBFOBG118.9°120.0°
CBDNBFH13120.5°119.9°
CAMCANCAO119.9°120.2°
CAMCANH24120.0°119.9°
CACNABNAA109.4°108.2°
NABCACCAD105.8°106.2°
NABCACH15127.1°126.9°
NABNAANAE110.0°110.2°
OAJCAHCAI119.3°120.0°
OAJCAHNAG120.3°120.0°
OBGNBFH13120.5°120.0°
NBFOBGH14109.5°114.0°
CAHCAICAO119.3°120.1°
CAICAHNAG120.4°119.9°
CAICAOCAN120.5°119.8°
CAICAOH25119.7°120.1°
CACCADNAE105.1°106.5°
CACCADCAF127.9°126.7°
CADCACH15127.1°126.9°
CAOCANH24120.1°119.9°
CANCAOH25119.8°120.1°
CAHNAGCAF121.3°120.0°
CAHNAGH18119.4°120.1°
NAANAECAD109.7°108.9°
NAECADCAF127.1°126.8°
CADCAFNAG113.4°109.5°
CADCAFH16108.5°109.4°
CADCAFH17108.5°109.5°
NAGCAFH16108.5°109.5°
NAGCAFH17108.5°109.5°
CAFNAGH18119.4°120.0°
H8CARH9109.5°109.5°
H11CASH12109.5°109.4°
H16CAFH17109.5°109.5°
H21CAPH22109.5°109.5°
H21CAPH23109.5°109.4°
H22CAPH23109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBBCBCCAWH5180.0°180.0°
CBBCBCCAWCAX180.0°180.0°
CBCCBBCBAH4180.0°180.0°
CBBCBCCAWCAV0.0°0.0°
CBCCBBCBACAZ0.0°0.0°
CBCCBBCBAH3180.0°180.0°
CBCCAWCAXCAV180.0°180.0°
CBCCAWCAXCAY179.9°180.0°
CAWCBCCBBCBA0.0°0.0°
CBCCAWCAVCAZ0.0°0.0°
CBCCAWCAVCAU180.0°180.0°
CAWCBCCBBH4180.0°180.0°
CBCCAWCAXH60.1°0.0°
CAWCAXCAYH6180.0°180.0°
CAWCAXCAYCAT0.1°0.3°
CAXCAWCAVCAZ179.9°180.0°
CAXCAWCAVCAU0.1°0.0°
CAXCAWCBCH50.0°0.1°
CAWCAXCAYH7179.9°180.0°
CAYCAXCAWCAV0.0°0.0°
CAXCAYCATH7180.0°179.8°
CAXCAYCATCAU0.1°0.6°
CAXCAYCATCAR180.0°180.0°
CBBCBACAZH3180.0°180.0°
CBBCBACAZCAV0.1°0.1°
CBBCBACAZH2179.9°179.9°
CBACBBCBCH5180.0°180.0°
CAWCAVCAZCBA0.1°0.1°
CAWCAVCAZCAU180.0°180.0°
CAWCAVCAUCAT0.0°0.3°
CAWCAVCAUH1179.9°180.0°
CAWCAVCAZH2180.0°180.0°
CAVCAWCBCH5180.0°180.0°
CAVCAWCAXH6180.0°180.0°
CAYCATCAUCAV0.1°0.6°
CAYCATCAUCAR179.9°179.4°
CAYCATCARCAQ43.8°84.7°
CAYCATCAUH1180.0°179.7°
CATCAYCAXH6179.9°179.7°
CAYCATCARH8164.2°155.2°
CAYCATCARH976.6°35.3°
CBACAZCAVH2180.0°180.0°
CBACAZCAVCAU179.9°180.0°
CAZCBACBBH4180.0°179.9°
CAZCAVCAUCAT180.0°179.7°
CAZCAVCAUH10.1°0.0°
CAVCAZCBAH3179.9°179.9°
CAVCAUCATH1180.0°179.7°
CAVCAUCATCAR180.0°180.0°
CAUCAVCAZH20.0°0.0°
CAUCATCARCAQ136.3°95.9°
CAUCATCAYH7179.9°179.6°
CAUCATCARH815.9°24.2°
CAUCATCARH9103.3°144.2°
CATCARCAQCAS111.1°174.7°
CATCARCAQH8120.4°120.1°
CATCARCAQH9120.4°119.9°
CATCARCAQNAB124.0°65.3°
CARCATCAUH10.1°0.3°
CARCATCAYH70.0°0.2°
CATCARH8H9118.8°119.9°
CATCARCAQH106.7°54.7°
CAKCALCAMH20180.0°179.9°
CAKCALCAMCAP179.9°180.0°
CALCAKCAIH19180.0°180.0°
CAKCALCAMCAN0.2°0.1°
CALCAKCAICAH180.0°180.0°
CALCAKCAICAO0.3°0.3°
CALCAMCAPCAN180.0°179.9°
CAMCALCAKCAI0.4°0.0°
CALCAMCANCAO0.1°0.1°
CAMCALCAKH19179.6°179.9°
CALCAMCAPH2190.0°89.9°
CALCAMCAPH22150.0°150.0°
CALCAMCAPH2330.0°30.1°
CALCAMCANH24179.9°179.9°
CAQCASCBDH11121.4°120.0°
CAQCASCBDH12121.3°120.0°
CASCAQCARNAB124.9°120.0°
CASCAQCARH10117.8°120.0°
CASCAQNABH10120.3°120.0°
CAQCASCBDOBE75.0°3.9°
CAQCASCBDNBF106.8°176.2°
CASCAQNABCAC168.7°35.0°
CASCAQNABNAA12.0°144.7°
CASCAQCARH8128.5°65.2°
CASCAQCARH99.3°54.7°
CAQCASH11H12115.7°120.0°
CBDCASCAQCAR45.6°67.3°
CBDCASCAQNAB76.0°172.7°
CASCBDOBENBF178.3°180.0°
CASCBDNBFOBG179.2°180.0°
CBDCASCAQH10163.0°52.8°
CBDCASH11H12115.7°120.0°
CASCBDNBFH130.8°0.0°
CAPCAMCANCAO179.9°179.7°
CAPCAMCALH200.1°0.1°
CAMCAPH21H22120.0°120.1°
CAMCAPH21H23120.0°120.0°
CAMCAPH22H23120.0°120.0°
CAPCAMCANH240.1°0.1°
CAKCAICAHOAJ43.6°179.7°
CAKCAICAHCAO179.6°179.6°
CAKCAICAOCAN0.1°0.6°
CAKCAICAHNAG136.2°0.3°
CAICAKCALH20179.6°180.0°
CAKCAICAOH25179.9°179.7°
CARCAQNABH10116.1°120.0°
CARCAQNABCAC67.7°85.0°
CARCAQNABNAA111.7°95.3°
CAQCARH8H9118.8°120.0°
CARCAQCASH1175.7°172.7°
CARCAQCASH12167.0°52.8°
CAQNABCACNAA179.4°179.7°
CAQNABCACCAD179.7°180.0°
CAQNABNAANAE179.7°180.0°
NABCAQCARH83.7°54.8°
NABCAQCARH9115.6°174.8°
NABCAQCASH11162.6°52.7°
NABCAQCASH1245.3°67.2°
CAQNABCACH150.2°0.0°
OBECBDNBFOBG1.0°0.0°
OBECBDCASH1146.4°123.9°
OBECBDCASH12163.7°116.2°
OBECBDNBFH13179.1°180.0°
CBDNBFOBGH13180.0°180.0°
NBFCBDCASH11131.8°56.1°
NBFCBDCASH1214.5°63.8°
CBDNBFOBGH140.4°180.0°
CAMCANCAOCAI0.1°0.5°
CAMCANCAOH24180.0°179.8°
CANCAMCALH20179.8°180.0°
CANCAMCAPH2190.0°89.9°
CANCAMCAPH2230.0°30.1°
CANCAMCAPH23150.0°150.1°
CAMCANCAOH25179.8°179.8°
NABCACCADH15180.0°180.0°
CACNABNAANAE0.3°0.2°
NABCACCADNAE0.2°0.2°
NABCACCADCAF179.5°180.0°
CACNABCAQH1048.4°155.0°
NAANABCACCAD0.3°0.3°
NABNAANAECAD0.1°0.1°
NAANABCAQH10132.3°24.7°
NAANABCACH15179.7°179.7°
OAJCAHCAINAG179.9°179.9°
OAJCAHCAICAO136.0°0.1°
OAJCAHNAGCAF0.6°0.0°
OAJCAHNAGH18179.4°180.0°
CAHCAICAOCAN179.7°179.8°
CAICAHNAGCAF179.6°180.0°
CAICAHNAGH180.4°0.0°
CAHCAICAKH190.0°0.1°
CAHCAICAOH250.3°0.1°
CAICAOCANH25180.0°179.7°
CAOCAICAHNAG44.1°180.0°
CAOCAICAKH19179.7°179.7°
CAICAOCANH24179.8°179.7°
CACCADNAENAA0.0°0.1°
CACCADNAECAF179.7°179.8°
CACCADCAFNAG7.7°95.0°
CACCADCAFH16112.8°145.0°
CACCADCAFH17128.3°25.1°
CAHNAGCAFCAD58.9°180.0°
CAHNAGCAFH18180.0°180.0°
CAHNAGCAFH16179.5°60.0°
CAHNAGCAFH1761.7°60.0°
NAANAECADCAF179.6°179.9°
NAECADCAFNAG171.9°84.8°
NAECADCACH15179.8°179.8°
NAECADCAFH1667.5°35.2°
NAECADCAFH1751.3°155.2°
CADCAFNAGH16120.6°120.0°
CADCAFNAGH17120.6°120.1°
CAFCADCACH150.6°0.0°
CADCAFH16H17118.2°120.0°
CADCAFNAGH18121.1°0.0°
NAGCAFH16H17118.2°120.0°
H2CAZCBAH30.1°0.1°
H3CBACBBH40.0°0.1°
H4CBBCBCH50.0°0.0°
H6CAXCAYH70.1°0.0°
H8CARCAQH10113.7°174.8°
H9CARCAQH10127.1°65.2°
H10CAQCASH1141.7°67.3°
H10CAQCASH1275.6°172.8°
H13NBFOBGH14179.6°0.0°
H16CAFNAGH180.5°120.0°
H17CAFNAGH18118.3°120.0°
H19CAKCALH200.4°0.0°
H21CAPH22H23120.0°119.9°
H24CANCAOH250.2°0.0°

226262

PDB entries from 2024-10-16

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