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3OA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OACCAKsing1.43Å1.44Å
OADCALsing1.43Å1.44Å
CALCANsing1.53Å1.53Å
CAKCAMsing1.53Å1.50Å
CAMO1sing1.43Å1.43Å
CANO2sing1.43Å1.48Å
O1CAOsing1.43Å1.42Å
O2CAPsing1.43Å1.50Å
CAOCAQsing1.53Å1.51Å
CAPCARsing1.53Å1.59Å
CAICAJdoub1.37Å1.42ÅAromatic
CAICAYsing1.40Å1.41ÅAromatic
CAQNAUsing1.47Å1.47Å
CAJCAZsing1.40Å1.41ÅAromatic
CARNAVsing1.46Å1.50Å
CAYNAUsing1.39Å1.36Å
CAYCBEdoub1.40Å1.42ÅAromatic
CAZNAVsing1.39Å1.36Å
CAZCBFdoub1.40Å1.42ÅAromatic
CBECBFsing1.41Å1.42ÅAromatic
CBECBAsing1.47Å1.43Å
CBFCBBsing1.47Å1.39Å
OAACBAdoub1.22Å1.39Å
CBACBCsing1.48Å1.39Å
CBBOABdoub1.22Å1.42Å
CBBCBDsing1.47Å1.40Å
CBCCBDdoub1.41Å1.36ÅAromatic
CBCCAWsing1.40Å1.38ÅAromatic
CBDCAXsing1.40Å1.37ÅAromatic
OAECAWsing1.36Å1.37Å
CAWCAGdoub1.39Å1.37ÅAromatic
OAFCAXsing1.36Å1.36Å
CAXCAHdoub1.39Å1.36ÅAromatic
CAGCAHsing1.38Å1.38ÅAromatic
OACH1sing0.97Å0.95Å
CAKH2sing1.09Å1.10Å
CAKH3sing1.09Å1.10Å
CAMH4sing1.09Å1.10Å
CAMH5sing1.09Å1.10Å
CAOH6sing1.09Å1.10Å
CAOH7sing1.09Å1.10Å
CAQH8sing1.09Å1.10Å
CAQH9sing1.09Å1.10Å
NAUH10sing0.97Å1.00Å
CAIH11sing1.08Å1.08Å
CAJH12sing1.08Å1.08Å
OAEH14sing0.97Å0.95Å
CAGH15sing1.08Å1.08Å
CAHH16sing1.08Å1.08Å
OAFH17sing0.97Å0.95Å
NAVH19sing0.97Å1.00Å
CARH20sing1.09Å1.10Å
CARH21sing1.09Å1.10Å
CAPH22sing1.09Å1.10Å
CAPH23sing1.09Å1.10Å
CANH24sing1.09Å1.10Å
CANH25sing1.09Å1.10Å
CALH26sing1.09Å1.10Å
CALH27sing1.09Å1.10Å
OADH28sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OACCAKCAM113.1°109.4°
CAKOACH1109.5°114.0°
OACCAKH2108.5°109.5°
OACCAKH3108.6°109.5°
OADCALCAN103.3°109.5°
OADCALH26111.0°109.5°
OADCALH27111.0°109.5°
CALOADH28109.5°114.0°
CALCANO2114.0°109.5°
CALCANH24108.3°109.5°
CALCANH25108.3°109.5°
CANCALH26111.0°109.5°
CANCALH27111.0°109.5°
CAKCAMO1105.1°109.5°
CAMCAKH2108.6°109.5°
CAMCAKH3108.6°109.5°
CAKCAMH4110.6°109.4°
CAKCAMH5110.5°109.5°
CAMO1CAO116.6°114.0°
O1CAMH4110.6°109.4°
O1CAMH5110.6°109.5°
CANO2CAP119.8°114.0°
O2CANH24108.3°109.4°
O2CANH25108.3°109.4°
O1CAOCAQ106.9°109.5°
O1CAOH6110.1°109.5°
O1CAOH7110.1°109.4°
O2CAPCAR112.8°109.4°
O2CAPH22108.6°109.4°
O2CAPH23108.6°109.5°
CAOCAQNAU105.6°109.5°
CAQCAOH6110.1°109.5°
CAQCAOH7110.1°109.5°
CAOCAQH8110.4°109.4°
CAOCAQH9110.4°109.5°
CAPCARNAV122.0°109.5°
CAPCARH20106.2°109.5°
CAPCARH21106.2°109.4°
CARCAPH22108.6°109.5°
CARCAPH23108.6°109.5°
CAJCAICAY120.2°120.6°
CAICAJCAZ121.3°120.6°
CAJCAIH11119.9°119.8°
CAICAJH12119.3°119.7°
CAICAYNAU124.8°120.1°
CAICAYCBE119.4°119.7°
CAYCAIH11119.9°119.7°
CAQNAUCAY126.8°120.0°
NAUCAQH8110.4°109.5°
NAUCAQH9110.4°109.5°
CAQNAUH10105.0°120.0°
CAJCAZNAV125.2°120.1°
CAJCAZCBF118.0°119.8°
CAZCAJH12119.4°119.7°
CARNAVCAZ127.6°120.0°
CARNAVH19104.8°120.0°
NAVCARH20106.2°109.5°
NAVCARH21106.3°109.4°
NAUCAYCBE115.8°120.1°
CAYNAUH10105.0°120.0°
CAYCBECBF119.8°119.7°
CAYCBECBA121.4°120.6°
NAVCAZCBF116.8°120.1°
CAZNAVH19104.7°120.0°
CAZCBFCBE121.3°119.7°
CAZCBFCBB121.8°120.6°
CBFCBECBA118.8°119.7°
CBECBFCBB116.9°119.7°
CBECBAOAA119.9°120.4°
CBECBACBC122.6°119.1°
CBFCBBOAB119.6°120.4°
CBFCBBCBD122.3°119.2°
OAACBACBC117.5°120.4°
CBACBCCBD116.9°119.7°
CBACBCCAW123.3°120.6°
OABCBBCBD118.1°120.4°
CBBCBDCBC122.4°119.7°
CBBCBDCAX118.5°120.6°
CBDCBCCAW119.8°119.7°
CBCCBDCAX119.0°119.7°
CBCCAWOAE119.3°120.1°
CBCCAWCAG120.9°119.8°
CBDCAXOAF114.3°120.1°
CBDCAXCAH122.0°119.8°
OAECAWCAG119.8°120.1°
CAWOAEH14109.5°114.1°
CAWCAGCAH119.0°120.5°
CAWCAGH15120.5°119.8°
OAFCAXCAH123.7°120.1°
CAXOAFH17109.5°114.0°
CAXCAHCAG119.3°120.5°
CAXCAHH16120.3°119.7°
CAHCAGH15120.5°119.7°
CAGCAHH16120.3°119.8°
H2CAKH3109.5°109.5°
H4CAMH5109.5°109.5°
H6CAOH7109.5°109.5°
H8CAQH9109.5°109.5°
H20CARH21109.5°109.5°
H22CAPH23109.5°109.5°
H24CANH25109.5°109.5°
H26CALH27109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OACCAKCAMH2120.5°120.0°
OACCAKCAMH3120.6°120.0°
OACCAKCAMO191.2°65.0°
OACCAKH2H3118.4°120.0°
OACCAKCAMH428.1°175.1°
OACCAKCAMH5149.5°55.0°
OADCALCANH26119.0°120.0°
OADCALCANH27119.0°120.1°
OADCALCANO2156.1°65.0°
OADCALCANH2435.5°55.0°
OADCALCANH2583.2°175.0°
OADCALH26H27122.9°120.0°
CALCANO2H24120.7°120.0°
CALCANO2H25120.6°120.1°
CALCANO2CAP157.0°180.0°
CALCANH24H25117.9°120.1°
CANCALH26H27122.9°120.0°
CANCALOADH28180.0°180.0°
CAKCAMO1H4119.3°120.0°
CAKCAMO1H5119.3°120.0°
CAKCAMO1CAO97.1°180.0°
CAMCAKOACH1180.0°180.0°
CAMCAKH2H3118.4°120.0°
CAKCAMH4H5122.0°120.0°
CAMO1CAOCAQ134.3°180.0°
O1CAMCAKH2148.3°55.0°
O1CAMCAKH329.4°175.0°
O1CAMH4H5122.0°120.0°
CAMO1CAOH614.7°60.0°
CAMO1CAOH7106.1°60.0°
CANO2CAPCAR35.0°180.0°
CANO2CAPH22155.5°60.0°
CANO2CAPH2385.5°60.0°
O2CANH24H25118.0°119.9°
O2CANCALH2684.9°175.0°
O2CANCALH2737.2°55.1°
O1CAOCAQH6119.6°120.0°
O1CAOCAQH7119.6°120.0°
O1CAOCAQNAU126.4°65.0°
CAOO1CAMH4143.6°60.0°
CAOO1CAMH522.2°60.0°
O1CAOH6H7121.2°120.0°
O1CAOCAQH8114.2°175.0°
O1CAOCAQH97.0°55.0°
O2CAPCARH22120.5°119.9°
O2CAPCARH23120.5°120.0°
O2CAPCARNAV140.7°65.0°
O2CAPCARH2019.0°55.0°
O2CAPCARH2197.5°175.0°
O2CAPH22H23118.5°120.0°
CAPO2CANH2436.3°60.0°
CAPO2CANH2582.4°59.9°
CAOCAQNAUH8119.4°120.0°
CAOCAQNAUH9119.4°120.0°
CAOCAQNAUCAY85.3°180.0°
CAQCAOH6H7121.2°120.0°
CAOCAQH8H9121.8°120.0°
CAOCAQNAUH1037.0°0.0°
CAPCARNAVH20121.7°120.0°
CAPCARNAVH21121.7°120.0°
CAPCARNAVCAZ28.9°180.0°
CAPCARNAVH19151.3°0.1°
CAPCARH20H21114.3°120.0°
CARCAPH22H23118.5°120.0°
CAJCAICAYH11180.0°179.9°
CAICAJCAZH12180.0°179.9°
CAJCAICAYNAU178.0°180.0°
CAJCAICAYCBE0.2°0.4°
CAICAJCAZNAV177.9°180.0°
CAICAJCAZCBF2.7°0.2°
CAICAYNAUCAQ7.6°6.7°
CAYCAICAJCAZ1.4°0.1°
CAICAYNAUCBE177.8°179.7°
CAICAYCBECBF0.5°0.3°
CAICAYCBECBA179.7°179.6°
CAICAYNAUH10114.7°173.3°
CAYCAICAJH12178.6°180.0°
CAQNAUCAYH10122.3°180.0°
CAQNAUCAYCBE170.3°173.6°
NAUCAQCAOH66.8°55.0°
NAUCAQCAOH7114.0°175.0°
NAUCAQH8H9121.8°120.1°
CAJCAZNAVCAR19.9°5.7°
CAJCAZNAVCBF179.4°179.8°
CAJCAZCBFCBE2.4°0.2°
CAJCAZCBFCBB179.0°179.7°
CAZCAJCAIH11178.6°180.0°
CAJCAZNAVH19102.5°174.3°
CARNAVCAZH19122.4°180.0°
CARNAVCAZCBF160.8°174.5°
NAVCARH20H21114.4°120.0°
NAVCARCAPH2298.8°175.0°
NAVCARCAPH2320.3°55.0°
NAUCAYCBECBF178.5°180.0°
NAUCAYCBECBA1.7°0.0°
CAYNAUCAQH8155.4°60.0°
CAYNAUCAQH934.1°60.0°
NAUCAYCAIH112.0°0.0°
CAYCBECBFCAZ0.8°0.0°
CAYCBECBFCBA179.8°180.0°
CAYCBECBFCBB179.5°180.0°
CAYCBECBAOAA0.7°13.7°
CAYCBECBACBC179.5°166.3°
CBECAYNAUH1067.4°6.4°
CBECAYCAIH11179.8°179.7°
NAVCAZCBFCBE178.2°180.0°
NAVCAZCBFCBB0.4°0.1°
NAVCAZCAJH122.1°0.1°
CAZNAVCARH2092.8°60.0°
CAZNAVCARH21150.6°60.0°
CAZCBFCBECBB178.6°180.0°
CAZCBFCBECBA179.0°179.9°
CAZCBFCBBOAB0.3°13.8°
CAZCBFCBBCBD177.8°166.3°
CBFCAZCAJH12177.3°179.7°
CBFCAZNAVH1976.9°5.5°
CBFCBECBAOAA179.5°166.3°
CBFCBECBACBC0.3°13.7°
CBECBFCBBOAB178.3°166.3°
CBECBFCBBCBD0.9°13.7°
CBACBECBFCBB0.3°0.0°
CBECBAOAACBC179.8°180.0°
CBECBACBCCBD0.9°13.7°
CBECBACBCCAW177.9°166.2°
CBFCBBOABCBD177.6°180.0°
CBFCBBCBDCBC2.2°13.6°
CBFCBBCBDCAX176.9°166.3°
OAACBACBCCBD179.3°166.2°
OAACBACBCCAW2.3°13.8°
CBACBCCBDCBB2.1°0.1°
CBACBCCBDCAW177.1°180.0°
CBACBCCBDCAX177.0°180.0°
CBACBCCAWOAE1.3°0.1°
CBACBCCAWCAG178.6°179.9°
OABCBBCBDCBC179.7°166.4°
OABCBBCBDCAX0.6°13.7°
CBBCBDCBCCAX179.1°179.9°
CBBCBDCBCCAW179.2°179.9°
CBBCBDCAXOAF0.3°0.1°
CBBCBDCAXCAH179.1°179.9°
CBDCBCCAWOAE178.3°180.0°
CBDCBCCAWCAG1.7°0.1°
CBCCBDCAXOAF179.5°180.0°
CBCCBDCAXCAH1.7°0.0°
CAWCBCCBDCAX0.1°0.1°
CBCCAWOAECAG179.9°179.9°
CBCCAWCAGCAH1.9°0.1°
CBCCAWOAEH140.1°89.9°
CBCCAWCAGH15178.1°179.9°
CBDCAXOAFCAH178.8°180.0°
CBDCAXCAHCAG1.5°0.0°
CBDCAXCAHH16178.5°180.0°
CBDCAXOAFH170.1°90.0°
OAECAWCAGCAH178.0°179.9°
OAECAWCAGH152.0°0.2°
CAWCAGCAHCAX0.4°0.0°
CAWCAGCAHH15180.0°179.9°
CAGCAWOAEH14179.9°89.9°
CAWCAGCAHH16179.6°180.0°
OAFCAXCAHCAG179.8°179.9°
OAFCAXCAHH160.2°0.0°
CAXCAHCAGH16180.0°180.0°
CAXCAHCAGH15179.6°179.9°
CAHCAXOAFH17178.8°90.0°
H1OACCAKH259.5°60.0°
H1OACCAKH359.4°59.9°
H2CAKCAMH492.4°65.0°
H2CAKCAMH529.0°175.0°
H3CAKCAMH4148.7°55.0°
H3CAKCAMH590.0°65.0°
H6CAOCAQH8126.2°65.0°
H6CAOCAQH9112.6°175.0°
H7CAOCAQH85.4°55.0°
H7CAOCAQH9126.6°65.0°
H8CAQNAUH1082.4°120.0°
H9CAQNAUH10156.4°120.0°
H11CAICAJH121.4°0.1°
H15CAGCAHH160.4°0.1°
H19NAVCARH2029.6°120.0°
H19NAVCARH2187.0°120.0°
H20CARCAPH22139.5°65.0°
H20CARCAPH23101.5°175.0°
H21CARCAPH2222.9°55.1°
H21CARCAPH23142.0°65.0°
H24CANCALH26154.4°65.1°
H24CANCALH2783.5°175.0°
H25CANCALH2635.8°55.0°
H25CANCALH27157.8°64.9°
H26CALOADH2861.0°59.9°
H27CALOADH2861.0°60.0°

224931

PDB entries from 2024-09-11

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