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41E

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAFCAHdoub1.38Å1.40ÅAromatic
CAFCAGsing1.38Å1.39ÅAromatic
CAHCAYsing1.39Å1.39ÅAromatic
CAGCAXdoub1.39Å1.40ÅAromatic
CAYOASsing1.36Å1.37Å
CAYCAKdoub1.39Å1.40ÅAromatic
OASCAAsing1.43Å1.44Å
CAXCAKsing1.39Å1.40ÅAromatic
CAXNARsing1.40Å1.34Å
OADCAVdoub1.21Å1.23Å
NARCAVsing1.35Å1.35Å
CAVCALsing1.51Å1.53Å
CALCAMsing1.53Å1.54Å
CANCAPsing1.53Å1.53Å
CANCBBsing1.54Å1.54Å
CAMCBBsing1.53Å1.53Å
CAPNBCsing1.47Å1.49Å
CBBCAOsing1.53Å1.54Å
OAECAWdoub1.22Å1.23Å
NBCCAWsing1.35Å1.35Å
NBCCAQsing1.47Å1.49Å
CAOCAQsing1.53Å1.53Å
CAWCBAsing1.47Å1.35Å
CBACAJdoub1.37Å1.35ÅAromatic
CBASATsing1.76Å1.66ÅAromatic
CAJCAIsing1.37Å1.36ÅAromatic
SATCAZsing1.76Å1.67ÅAromatic
CAICAZdoub1.37Å1.35ÅAromatic
CAZCAUsing1.46Å1.35Å
CAUOACdoub1.21Å1.23Å
CAUCABsing1.51Å1.53Å
CABH1sing1.09Å1.10Å
CABH2sing1.09Å1.10Å
CABH3sing1.09Å1.10Å
CAIH4sing1.08Å1.08Å
CAJH5sing1.08Å1.08Å
CAQH6sing1.09Å1.10Å
CAQH7sing1.09Å1.10Å
CAOH8sing1.09Å1.10Å
CAOH9sing1.09Å1.10Å
CAPH10sing1.09Å1.10Å
CAPH11sing1.09Å1.10Å
CANH12sing1.09Å1.10Å
CANH13sing1.09Å1.10Å
CBBH14sing1.09Å1.10Å
CAMH15sing1.09Å1.10Å
CAMH16sing1.09Å1.10Å
CALH17sing1.09Å1.10Å
CALH18sing1.09Å1.10Å
NARH19sing0.97Å1.00Å
CAKH20sing1.08Å1.08Å
CAGH21sing1.08Å1.08Å
CAFH22sing1.08Å1.08Å
CAHH23sing1.08Å1.08Å
CAAH24sing1.09Å1.10Å
CAAH25sing1.09Å1.10Å
CAAH26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAHCAFCAG120.2°120.1°
CAFCAHCAY120.2°120.1°
CAHCAFH22119.9°120.0°
CAFCAHH23119.9°119.9°
CAFCAGCAX120.3°120.0°
CAFCAGH21119.8°120.0°
CAGCAFH22119.9°119.9°
CAHCAYOAS119.0°120.0°
CAHCAYCAK119.1°120.0°
CAYCAHH23119.9°120.0°
CAGCAXCAK118.9°119.9°
CAGCAXNAR123.4°120.1°
CAXCAGH21119.8°120.0°
OASCAYCAK121.9°120.0°
CAYOASCAA113.9°117.0°
CAYCAKCAX121.2°119.9°
CAYCAKH20119.4°120.1°
OASCAAH24109.5°109.4°
OASCAAH25109.5°109.5°
OASCAAH26109.5°109.5°
CAKCAXNAR117.7°120.0°
CAXCAKH20119.4°120.1°
CAXNARCAV124.0°120.0°
CAXNARH19118.0°120.0°
OADCAVNAR126.3°120.0°
OADCAVCAL120.2°120.0°
NARCAVCAL113.5°120.0°
CAVNARH19118.0°120.0°
CAVCALCAM109.0°109.4°
CAVCALH17109.6°109.5°
CAVCALH18109.6°109.5°
CALCAMCBB111.1°109.4°
CALCAMH15109.1°109.4°
CALCAMH16109.1°109.5°
CAMCALH17109.6°109.5°
CAMCALH18109.6°109.5°
CAPCANCBB109.8°109.2°
CANCAPNBC111.1°108.8°
CANCAPH10109.1°109.6°
CANCAPH11109.0°109.7°
CAPCANH12109.4°109.5°
CAPCANH13109.4°109.5°
CANCBBCAM110.4°109.5°
CANCBBCAO110.3°109.7°
CBBCANH12109.4°109.6°
CBBCANH13109.4°109.4°
CANCBBH14109.4°109.4°
CAMCBBCAO107.8°109.6°
CAMCBBH14109.5°109.5°
CBBCAMH15109.0°109.5°
CBBCAMH16109.0°109.5°
CAPNBCCAW117.8°120.6°
CAPNBCCAQ118.1°118.8°
NBCCAPH10109.1°109.6°
NBCCAPH11109.1°109.6°
CBBCAOCAQ111.3°109.3°
CBBCAOH8109.0°109.5°
CBBCAOH9109.0°109.5°
CAOCBBH14109.4°109.1°
OAECAWNBC119.5°120.0°
OAECAWCBA117.2°120.0°
CAWNBCCAQ124.1°120.6°
NBCCAWCBA123.3°120.0°
NBCCAQCAO112.3°108.7°
NBCCAQH6108.8°109.6°
NBCCAQH7108.7°109.6°
CAOCAQH6108.8°109.6°
CAOCAQH7108.8°109.7°
CAQCAOH8109.0°109.5°
CAQCAOH9109.0°109.5°
CAWCBACAJ128.4°125.1°
CAWCBASAT123.3°125.2°
CAJCBASAT108.3°109.7°
CBACAJCAI114.2°114.8°
CBACAJH5122.9°122.6°
CBASATCAZ95.6°91.2°
CAJCAICAZ114.1°114.7°
CAJCAIH4123.0°122.7°
CAICAJH5122.9°122.6°
SATCAZCAI107.8°109.6°
SATCAZCAU124.1°125.2°
CAICAZCAU128.0°125.2°
CAZCAIH4122.9°122.7°
CAZCAUOAC121.6°120.0°
CAZCAUCAB118.4°120.0°
OACCAUCAB120.0°120.0°
CAUCABH1109.5°109.4°
CAUCABH2109.5°109.5°
CAUCABH3109.5°109.5°
H1CABH2109.5°109.5°
H1CABH3109.4°109.4°
H2CABH3109.5°109.5°
H6CAQH7109.5°109.6°
H8CAOH9109.5°109.5°
H10CAPH11109.4°109.5°
H12CANH13109.5°109.6°
H15CAMH16109.5°109.5°
H17CALH18109.5°109.5°
H24CAAH25109.5°109.5°
H24CAAH26109.4°109.5°
H25CAAH26109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAHCAFCAGH22180.0°179.8°
CAFCAHCAYH23180.0°179.8°
CAHCAFCAGCAX0.5°0.2°
CAFCAHCAYOAS179.9°180.0°
CAFCAHCAYCAK0.1°0.4°
CAHCAFCAGH21179.5°180.0°
CAGCAFCAHCAY0.1°0.1°
CAFCAGCAXH21180.0°179.9°
CAFCAGCAXCAK1.2°0.1°
CAFCAGCAXNAR178.7°179.7°
CAGCAFCAHH23179.9°180.0°
CAHCAYOASCAK179.8°179.6°
CAHCAYOASCAA169.0°0.1°
CAHCAYCAKCAX0.8°0.5°
CAHCAYCAKH20179.2°179.5°
CAYCAHCAFH22179.9°179.9°
CAGCAXCAKCAY1.4°0.2°
CAGCAXCAKNAR177.6°179.8°
CAGCAXNARCAV26.2°146.9°
CAGCAXNARH19153.8°33.1°
CAGCAXCAKH20178.6°179.8°
CAXCAGCAFH22179.5°179.6°
OASCAYCAKCAX179.4°180.0°
OASCAYCAKH200.6°0.1°
OASCAYCAHH230.1°0.2°
CAYOASCAAH24180.0°60.0°
CAYOASCAAH2560.0°179.9°
CAYOASCAAH2660.0°60.0°
CAKCAYOASCAA11.2°179.5°
CAYCAKCAXH20180.0°179.9°
CAYCAKCAXNAR179.0°180.0°
CAKCAYCAHH23179.9°179.7°
OASCAAH24H25120.0°120.0°
OASCAAH24H26120.0°120.0°
OASCAAH25H26120.0°120.0°
CAKCAXNARCAV156.3°33.3°
CAKCAXNARH1923.7°146.7°
CAKCAXCAGH21178.8°180.0°
CAXNARCAVOAD1.0°5.9°
CAXNARCAVH19180.0°180.0°
CAXNARCAVCAL179.0°174.2°
NARCAXCAKH201.0°0.0°
NARCAXCAGH211.3°0.2°
OADCAVNARCAL179.9°179.9°
OADCAVCALCAM117.0°0.1°
OADCAVCALH172.9°120.0°
OADCAVCALH18123.1°119.9°
OADCAVNARH19179.0°174.1°
NARCAVCALCAM63.1°180.0°
NARCAVCALH17177.0°60.0°
NARCAVCALH1856.8°60.0°
CAVCALCAMH17119.9°120.0°
CAVCALCAMH18119.9°120.0°
CAVCALCAMCBB105.5°180.0°
CAVCALCAMH15134.2°60.0°
CAVCALCAMH1614.7°60.0°
CAVCALH17H18120.2°120.0°
CALCAVNARH191.0°5.8°
CALCAMCBBCAN70.5°175.0°
CALCAMCBBH15120.2°119.9°
CALCAMCBBH16120.3°120.0°
CALCAMCBBCAO169.0°64.7°
CALCAMCBBH1450.0°55.0°
CALCAMH15H16119.3°120.0°
CAMCALH17H18120.2°120.0°
CAPCANCBBH12120.1°120.0°
CAPCANCBBH13120.0°119.9°
CAPCANCBBCAM179.3°178.6°
CANCAPNBCH10120.3°119.8°
CANCAPNBCH11120.3°119.9°
CAPCANCBBCAO60.3°61.1°
CANCAPNBCCAW133.7°126.4°
CANCAPNBCCAQ48.0°53.9°
CANCAPH10H11119.2°120.4°
CAPCANH12H13119.8°120.1°
CAPCANCBBH1460.1°58.6°
CANCBBCAMCAO120.5°120.3°
CANCBBCAMH14120.5°120.0°
CBBCANCAPNBC54.1°54.5°
CANCBBCAOH14120.4°119.9°
CANCBBCAOCAQ57.3°61.1°
CANCBBCAOH8177.6°58.8°
CANCBBCAOH962.9°178.9°
CBBCANCAPH10174.4°65.3°
CBBCANCAPH1166.2°174.4°
CBBCANH12H13119.8°120.0°
CANCBBCAMH15169.3°55.0°
CANCBBCAMH1649.8°65.0°
CAMCBBCAOH14119.0°119.9°
CAMCBBCAOCAQ178.0°178.7°
CAMCBBCAOH861.8°61.4°
CAMCBBCAOH957.7°58.7°
CAMCBBCANH1260.6°58.6°
CAMCBBCANH1359.3°61.5°
CBBCAMH15H16119.2°120.1°
CBBCAMCALH1714.4°60.0°
CBBCAMCALH18134.6°60.0°
CAPNBCCAWOAE0.5°3.5°
CAPNBCCAWCAQ178.2°179.7°
CAPNBCCAQCAO44.9°53.9°
CAPNBCCAWCBA179.7°176.6°
CAPNBCCAQH6165.3°173.7°
CAPNBCCAQH775.5°66.0°
NBCCAPH10H11119.2°120.3°
NBCCAPCANH12174.2°174.6°
NBCCAPCANH1366.0°65.3°
CBBCAOCAQNBC48.2°54.6°
CBBCAOCAQH8120.3°120.0°
CBBCAOCAQH9120.3°119.9°
CBBCAOCAQH6168.6°174.4°
CBBCAOCAQH772.2°65.2°
CBBCAOH8H9119.2°120.1°
CAOCBBCANH12179.6°178.9°
CAOCBBCANH1359.7°58.8°
CAOCBBCAMH1548.8°175.4°
CAOCBBCAMH1670.7°55.3°
OAECAWNBCCBA179.8°180.0°
OAECAWNBCCAQ178.7°176.2°
OAECAWCBACAJ129.0°44.3°
OAECAWCBASAT48.3°135.6°
CAWNBCCAQCAO136.9°126.4°
NBCCAWCBACAJ50.8°135.7°
NBCCAWCBASAT131.9°44.4°
CAWNBCCAQH616.5°6.6°
CAWNBCCAQH7102.6°113.7°
CAWNBCCAPH1013.5°113.8°
CAWNBCCAPH11106.0°6.4°
NBCCAQCAOH6120.4°119.8°
NBCCAQCAOH7120.4°119.8°
CAQNBCCAWCBA1.5°3.7°
NBCCAQH6H7118.7°120.3°
NBCCAQCAOH8168.5°65.3°
NBCCAQCAOH972.1°174.6°
CAQNBCCAPH10168.2°65.9°
CAQNBCCAPH1172.3°173.8°
CAOCAQH6H7118.7°120.5°
CAQCAOH8H9119.1°120.1°
CAQCAOCBBH1463.0°58.8°
CAWCBACAJSAT177.6°179.9°
CAWCBACAJCAI178.8°180.0°
CAWCBASATCAZ178.8°179.9°
CAWCBACAJH51.2°0.1°
CBACAJCAIH5180.0°179.9°
CAJCBASATCAZ1.0°0.2°
CBACAJCAICAZ0.8°0.1°
CBACAJCAIH4179.2°179.9°
SATCBACAJCAI1.2°0.1°
CBASATCAZCAI0.6°0.2°
CBASATCAZCAU179.5°179.9°
SATCBACAJH5178.9°179.8°
CAJCAICAZSAT0.0°0.2°
CAJCAICAZH4180.0°180.0°
CAJCAICAZCAU178.9°179.9°
SATCAZCAICAU178.9°179.7°
SATCAZCAUOAC5.8°180.0°
SATCAZCAUCAB176.7°0.1°
SATCAZCAIH4180.0°179.8°
CAICAZCAUOAC172.9°0.4°
CAICAZCAUCAB4.6°179.7°
CAZCAICAJH5179.2°180.0°
CAZCAUOACCAB177.5°179.9°
CAZCAUCABH1177.6°90.1°
CAZCAUCABH262.4°29.9°
CAZCAUCABH357.6°150.0°
CAUCAZCAIH41.1°0.1°
OACCAUCABH10.0°90.0°
OACCAUCABH2120.0°150.0°
OACCAUCABH3120.0°29.9°
CAUCABH1H2120.0°120.0°
CAUCABH1H3120.0°120.0°
CAUCABH2H3120.0°120.1°
H1CABH2H3119.9°120.0°
H4CAICAJH50.7°0.0°
H6CAQCAOH871.1°54.5°
H6CAQCAOH948.4°65.6°
H7CAQCAOH848.1°174.9°
H7CAQCAOH9167.5°54.7°
H8CAOCBBH1457.2°178.7°
H9CAOCBBH14176.7°61.2°
H10CAPCANH1265.6°54.7°
H10CAPCANH1354.3°174.9°
H11CAPCANH1253.9°65.6°
H11CAPCANH13173.8°54.6°
H12CANCBBH1460.0°61.4°
H13CANCBBH14179.9°178.5°
H14CBBCAMH1570.2°64.9°
H14CBBCAMH16170.3°175.0°
H15CAMCALH17105.9°180.0°
H15CAMCALH1814.3°60.0°
H16CAMCALH17134.6°60.0°
H16CAMCALH18105.2°180.0°
H21CAGCAFH220.5°0.2°
H22CAFCAHH230.1°0.2°
H24CAAH25H26119.9°120.0°

222415

PDB entries from 2024-07-10

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