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HG1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAOCAJsing1.53Å1.55Å
CAOH1sing1.09Å1.10Å
CAOH2sing1.09Å1.10Å
CAJH3sing1.09Å1.10Å
CAJH4sing1.09Å1.10Å
CAICAJsing1.53Å1.55Å
CAIH5sing1.09Å1.10Å
CAIH6sing1.09Å1.10Å
CAKCAIsing1.53Å1.55Å
CAKH7sing1.09Å1.10Å
CAKH8sing1.09Å1.10Å
CAPCAUsing1.53Å1.56Å
CAPCAKsing1.53Å1.55Å
CAPH9sing1.09Å1.10Å
CAPH10sing1.09Å1.10Å
CAUCAOsing1.53Å1.56Å
CAUH11sing1.09Å1.10Å
CAQCALsing1.53Å1.55Å
CAQCAUsing1.53Å1.56Å
CAQH12sing1.09Å1.10Å
CAQH13sing1.09Å1.10Å
CALH14sing1.09Å1.10Å
CALH15sing1.09Å1.10Å
CANCALsing1.53Å1.55Å
CANH16sing1.09Å1.10Å
CANH17sing1.09Å1.10Å
CATCANsing1.51Å1.45Å
CATOAAdoub1.21Å1.22Å
NAZCATsing1.35Å1.31Å
CARNAZsing1.46Å1.43Å
CARCAHsing1.53Å1.55Å
CARH18sing1.09Å1.10Å
CARH19sing1.09Å1.10Å
CAHH20sing1.09Å1.10Å
CAHH21sing1.09Å1.10Å
OABCAHsing1.43Å1.42Å
OABH22sing0.97Å0.95Å
CASNAZsing1.46Å1.43Å
CASH23sing1.09Å1.10Å
CASH24sing1.09Å1.10Å
CAWCASsing1.53Å1.56Å
CAWOAEsing1.43Å1.43Å
H25CAWsing1.09Å1.10Å
CAYCAWsing1.53Å1.57Å
CAYH27sing1.09Å1.10Å
OAGCAYsing1.43Å1.43Å
OAGH28sing0.97Å0.95Å
CAXCAYsing1.53Å1.57Å
CAXH29sing1.09Å1.10Å
CAXC17sing1.53Å1.56Å
OAFCAXsing1.43Å1.43Å
OAFH31sing0.97Å0.95Å
C17C18sing1.53Å1.56Å
C18O6sing1.43Å1.42Å
C17H30sing1.09Å1.10Å
C17O7sing1.43Å1.43Å
OAEH26sing0.97Å0.95Å
C18H32sing1.09Å1.10Å
C18H33sing1.09Å1.10Å
O6H34sing0.97Å0.95Å
O7H35sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAJCAOH1108.7°109.4°
CAJCAOH2108.7°109.4°
CAOCAJH3109.0°109.5°
CAOCAJH4109.0°109.5°
CAOCAJCAI111.3°109.4°
CAJCAOCAU112.6°109.5°
H1CAOH2109.5°109.5°
H1CAOCAU108.7°109.5°
H2CAOCAU108.7°109.5°
H3CAJH4109.4°109.5°
H3CAJCAI109.0°109.5°
H4CAJCAI109.0°109.4°
CAJCAIH5109.0°109.4°
CAJCAIH6109.0°109.4°
CAJCAICAK111.3°109.5°
H5CAIH6109.4°109.5°
H5CAICAK109.0°109.5°
H6CAICAK109.0°109.5°
CAICAKH7108.9°109.5°
CAICAKH8108.9°109.5°
CAICAKCAP111.9°109.5°
H7CAKH8109.5°109.5°
H7CAKCAP108.9°109.5°
H8CAKCAP108.9°109.5°
CAUCAPCAK112.4°109.5°
CAUCAPH9108.7°109.4°
CAUCAPH10108.7°109.5°
CAPCAUCAO110.4°109.5°
CAPCAUH11107.5°109.5°
CAPCAUCAQ113.3°109.5°
CAKCAPH9108.7°109.5°
CAKCAPH10108.7°109.5°
H9CAPH10109.5°109.5°
CAOCAUH11107.6°109.5°
CAOCAUCAQ110.2°109.5°
H11CAUCAQ107.6°109.5°
CALCAQCAU114.8°109.4°
CALCAQH12108.1°109.4°
CALCAQH13108.1°109.4°
CAQCALH14108.7°109.4°
CAQCALH15108.7°109.5°
CAQCALCAN112.7°109.4°
CAUCAQH12108.1°109.5°
CAUCAQH13108.1°109.5°
H12CAQH13109.5°109.5°
H14CALH15109.4°109.5°
H14CALCAN108.7°109.5°
H15CALCAN108.7°109.5°
CALCANH16108.6°109.5°
CALCANH17108.6°109.5°
CALCANCAT112.8°109.4°
H16CANH17109.5°109.5°
H16CANCAT108.7°109.5°
H17CANCAT108.6°109.5°
CANCATOAA118.9°120.0°
CANCATNAZ123.2°120.0°
OAACATNAZ117.9°120.0°
CATNAZCAR120.4°120.0°
CATNAZCAS116.6°120.0°
NAZCARCAH119.1°109.4°
NAZCARH18107.0°109.5°
NAZCARH19107.0°109.5°
CARNAZCAS122.2°120.0°
CAHCARH18107.0°109.4°
CAHCARH19107.0°109.4°
CARCAHH20109.3°109.5°
CARCAHH21109.2°109.5°
CARCAHOAB110.4°109.5°
H18CARH19109.4°109.5°
H20CAHH21109.4°109.5°
H20CAHOAB109.2°109.4°
H21CAHOAB109.2°109.4°
CAHOABH22109.5°114.0°
NAZCASH23107.0°109.5°
NAZCASH24107.0°109.5°
NAZCASCAW119.1°109.5°
H23CASH24109.5°109.4°
H23CASCAW107.0°109.4°
H24CASCAW107.0°109.5°
CASCAWOAE107.9°109.4°
CASCAWH25108.2°109.5°
CASCAWCAY113.9°109.5°
OAECAWH25109.9°109.5°
OAECAWCAY108.9°109.4°
CAWOAEH26109.5°114.0°
H25CAWCAY108.1°109.5°
CAWCAYH27106.6°109.4°
CAWCAYOAG109.6°109.5°
CAWCAYCAX115.2°109.5°
H27CAYOAG108.3°109.5°
H27CAYCAX106.7°109.5°
CAYOAGH28109.5°114.0°
OAGCAYCAX110.2°109.5°
CAYCAXH29107.1°109.4°
CAYCAXC17114.6°109.4°
CAYCAXOAF110.6°109.5°
H29CAXC17107.2°109.5°
H29CAXOAF108.8°109.5°
C17CAXOAF108.4°109.5°
CAXC17C18114.1°109.5°
CAXC17H30107.9°109.5°
CAXC17O7109.9°109.5°
CAXOAFH31109.5°114.0°
C17C18O6112.5°109.5°
C18C17H30107.9°109.5°
C18C17O7107.4°109.5°
C17C18H32108.7°109.5°
C17C18H33108.7°109.5°
O6C18H32108.7°109.5°
O6C18H33108.7°109.5°
C18O6H34109.5°114.0°
H30C17O7109.6°109.4°
C17O7H35109.5°114.0°
H32C18H33109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAJCAOH1H2118.6°119.9°
CAJCAOH1CAU122.8°120.0°
CAJCAOH2CAU122.8°120.0°
CAOCAJH3H4119.2°120.0°
CAOCAJH3CAI121.7°120.0°
CAOCAJH4CAI121.7°119.9°
CAOCAJCAIH565.1°60.0°
CAOCAJCAIH6175.4°180.0°
CAOCAJCAICAK55.1°60.0°
CAJCAOCAUCAP53.5°60.0°
CAJCAOCAUH1163.6°60.0°
CAJCAOCAUCAQ179.4°180.0°
H1CAOH2CAU118.6°120.0°
H1CAOCAJH364.0°60.0°
H1CAOCAJH455.4°60.1°
H1CAOCAJCAI175.7°180.0°
H1CAOCAUCAP173.9°180.0°
H1CAOCAUH1156.8°60.0°
H1CAOCAUCAQ60.2°60.0°
H2CAOCAJH355.1°60.0°
H2CAOCAJH4174.5°180.0°
H2CAOCAJCAI65.2°60.0°
H2CAOCAUCAP67.0°60.0°
H2CAOCAUH11175.9°180.0°
H2CAOCAUCAQ58.9°60.0°
H3CAJH4CAI119.1°120.0°
H3CAJCAIH555.1°60.0°
H3CAJCAIH664.3°60.0°
H3CAJCAICAK175.4°180.0°
H3CAJCAOCAU175.6°180.0°
H4CAJCAIH5174.5°179.9°
H4CAJCAIH655.1°60.0°
H4CAJCAICAK65.2°60.0°
H4CAJCAOCAU65.0°59.9°
CAJCAIH5H6119.2°120.0°
CAJCAIH5CAK121.6°120.0°
CAJCAIH6CAK121.6°120.0°
CAJCAICAKH7175.1°180.0°
CAJCAICAKH865.6°60.0°
CAJCAICAKCAP54.7°60.0°
CAICAJCAOCAU55.3°60.0°
H5CAIH6CAK119.2°120.0°
H5CAICAKH754.8°60.0°
H5CAICAKH8174.1°179.9°
H5CAICAKCAP65.6°60.0°
H6CAICAKH764.7°60.0°
H6CAICAKH854.6°60.0°
H6CAICAKCAP175.0°180.0°
CAICAKH7H8118.9°120.0°
CAICAKH7CAP122.2°120.0°
CAICAKH8CAP122.2°120.0°
CAICAKCAPCAU54.0°60.0°
CAICAKCAPH9174.5°60.0°
CAICAKCAPH1066.4°180.0°
H7CAKH8CAP118.9°120.0°
H7CAKCAPCAU174.4°180.0°
H7CAKCAPH965.2°60.0°
H7CAKCAPH1054.0°60.0°
H8CAKCAPCAU66.3°60.0°
H8CAKCAPH954.1°180.0°
H8CAKCAPH10173.2°60.0°
CAUCAPCAKH9120.4°120.0°
CAUCAPCAKH10120.5°120.0°
CAUCAPH9H10118.7°120.0°
CAPCAUCAOH11117.1°120.0°
CAPCAUCAOCAQ125.9°120.0°
CAPCAUH11CAQ122.3°120.0°
CAPCAUCAQCAL62.6°175.0°
CAPCAUCAQH1258.2°65.0°
CAPCAUCAQH13176.6°55.1°
CAKCAPH9H10118.6°120.0°
CAKCAPCAUCAO52.7°60.0°
CAKCAPCAUH1164.5°60.0°
CAKCAPCAUCAQ176.8°180.0°
H9CAPCAUCAO173.1°60.0°
H9CAPCAUH1156.0°180.0°
H9CAPCAUCAQ62.8°60.0°
H10CAPCAUCAO67.8°180.0°
H10CAPCAUH11175.1°60.0°
H10CAPCAUCAQ56.4°60.0°
CAOCAUH11CAQ118.7°120.0°
CAOCAUCAQCAL173.1°65.0°
CAOCAUCAQH1266.1°55.0°
CAOCAUCAQH1352.3°175.1°
H11CAUCAQCAL56.1°55.0°
H11CAUCAQH12176.9°174.9°
H11CAUCAQH1364.7°65.0°
CALCAQCAUH12120.8°120.0°
CALCAQCAUH13120.8°119.9°
CALCAQH12H13117.6°120.0°
CAQCALH14H15118.6°120.0°
CAQCALH14CAN122.9°119.9°
CAQCALH15CAN122.9°120.0°
CAQCALCANH1678.0°60.0°
CAQCALCANH1741.0°60.0°
CAQCALCANCAT161.5°180.0°
CAUCAQH12H13117.6°120.1°
CAUCAQCALH1474.8°60.0°
CAUCAQCALH1544.2°60.0°
CAUCAQCALCAN164.7°180.0°
H12CAQCALH1446.0°180.0°
H12CAQCALH15165.0°60.0°
H12CAQCALCAN74.5°60.0°
H13CAQCALH14164.4°60.0°
H13CAQCALH1576.6°180.0°
H13CAQCALCAN43.9°60.0°
H14CALH15CAN118.5°120.0°
H14CALCANH16161.6°180.0°
H14CALCANH1779.4°60.0°
H14CALCANCAT41.0°60.1°
H15CALCANH1642.6°60.0°
H15CALCANH17161.5°180.0°
H15CALCANCAT78.0°60.0°
CALCANH16H17118.5°120.0°
CALCANH16CAT123.0°119.9°
CALCANH17CAT123.0°120.0°
CALCANCATOAA74.1°0.0°
CALCANCATNAZ105.6°180.0°
H16CANH17CAT118.5°120.0°
H16CANCATOAA165.4°120.0°
H16CANCATNAZ14.9°60.0°
H17CANCATOAA46.4°120.0°
H17CANCATNAZ133.9°60.0°
CANCATOAANAZ179.7°180.0°
CANCATNAZCAR95.8°0.0°
CANCATNAZCAS94.5°180.0°
OAACATNAZCAR84.5°180.0°
OAACATNAZCAS85.2°0.0°
CATNAZCARCAS169.2°180.0°
CATNAZCARCAH13.2°90.0°
CATNAZCARH18108.2°150.0°
CATNAZCARH19134.6°29.9°
CATNAZCASH2382.0°150.0°
CATNAZCASH2435.3°30.1°
CATNAZCASCAW156.6°90.0°
NAZCARCAHH18121.4°120.0°
NAZCARCAHH19121.4°119.9°
NAZCARH18H19115.6°120.1°
NAZCARCAHH2060.9°175.0°
NAZCARCAHH2158.8°55.0°
NAZCARCAHOAB178.9°65.0°
CARNAZCASH2387.6°30.0°
CARNAZCASH24155.1°150.0°
CARNAZCASCAW33.8°89.9°
CAHCARH18H19115.6°120.0°
CARCAHH20H21119.6°120.1°
CARCAHH20OAB120.9°120.0°
CARCAHH21OAB120.9°120.0°
CARCAHOABH22180.0°180.0°
CAHCARNAZCAS177.6°90.1°
H18CARCAHH20177.7°64.9°
H18CARCAHH2162.7°175.0°
H18CARCAHOAB57.5°55.0°
H18CARNAZCAS61.0°29.9°
H19CARCAHH2060.4°55.1°
H19CARCAHH21179.9°65.0°
H19CARCAHOAB59.7°175.0°
H19CARNAZCAS56.2°150.0°
H20CAHH21OAB119.5°119.9°
H20CAHOABH2259.8°60.0°
H21CAHOABH2259.8°59.9°
NAZCASH23H24115.7°120.0°
NAZCASH23CAW128.7°120.0°
NAZCASH24CAW128.7°120.1°
NAZCASCAWOAE62.4°60.0°
NAZCASCAWH2556.4°59.9°
NAZCASCAWCAY176.6°180.0°
H23CASH24CAW115.7°119.9°
H23CASCAWOAE176.3°180.0°
H23CASCAWH2564.9°60.1°
H23CASCAWCAY55.3°60.0°
H24CASCAWOAE58.9°60.1°
H24CASCAWH25177.8°180.0°
H24CASCAWCAY62.0°59.9°
CASCAWOAEH25117.7°120.0°
CASCAWOAECAY124.1°120.0°
CASCAWH25CAY123.8°120.1°
CASCAWCAYH2750.7°65.0°
CASCAWCAYOAG167.7°55.0°
CASCAWCAYCAX67.4°175.0°
CASCAWOAEH26180.0°60.1°
OAECAWH25CAY118.7°120.0°
OAECAWCAYH2769.7°175.0°
OAECAWCAYOAG47.3°65.0°
OAECAWCAYCAX172.2°55.0°
H25CAWCAYH27171.0°55.0°
H25CAWCAYOAG72.1°175.0°
H25CAWCAYCAX52.8°65.0°
H25CAWOAEH2662.3°180.0°
CAWCAYH27OAG117.8°120.0°
CAWCAYH27CAX123.6°120.0°
CAWCAYOAGCAX127.7°120.0°
CAWCAYOAGH28180.0°60.0°
CAWCAYCAXH2966.7°65.0°
CAWCAYCAXC17174.6°175.0°
CAWCAYCAXOAF51.8°55.1°
CAYCAWOAEH2656.0°59.9°
H27CAYOAGCAX116.3°120.0°
H27CAYOAGH2864.0°180.0°
H27CAYCAXH2951.4°55.0°
H27CAYCAXC1767.3°65.0°
H27CAYCAXOAF169.9°175.0°
OAGCAYCAXH29168.8°175.0°
OAGCAYCAXC1750.1°55.0°
OAGCAYCAXOAF72.8°64.9°
H28OAGCAYCAX52.3°60.0°
CAYCAXH29C17123.4°120.0°
CAYCAXH29OAF119.6°120.0°
CAYCAXC17OAF124.0°120.0°
CAYCAXOAFH31180.0°60.0°
CAYCAXC17C18170.0°180.0°
CAYCAXC17H3070.1°60.0°
CAYCAXC17O749.3°60.0°
H29CAXC17OAF117.3°120.1°
H29CAXOAFH3162.6°179.9°
H29CAXC17C1851.3°60.0°
H29CAXC17H30171.2°179.9°
H29CAXC17O769.4°60.0°
C17CAXOAFH3153.6°60.0°
CAXC17C18H30119.9°120.0°
CAXC17C18O7122.0°120.0°
CAXC17C18O664.3°175.0°
CAXC17H30O7119.6°120.0°
CAXC17C18H3256.1°55.0°
CAXC17C18H33175.2°65.0°
CAXC17O7H35180.0°60.0°
OAFCAXC17C1866.0°60.0°
OAFCAXC17H3053.9°60.0°
OAFCAXC17O7173.3°180.0°
C17C18O6H32120.5°120.0°
C17C18O6H33120.5°120.0°
C18C17H30O7116.6°120.0°
C17C18H32H33118.6°120.0°
C17C18O6H34180.0°179.9°
C18C17O7H3555.4°60.0°
O6C18C17H3055.6°55.0°
O6C18C17O7173.7°65.0°
O6C18H32H33118.6°120.0°
H30C17C18H32176.0°65.0°
H30C17C18H3364.9°175.0°
H30C17O7H3561.6°179.9°
O7C17C18H3265.9°175.0°
O7C17C18H3353.2°55.0°
H32C18O6H3459.5°60.0°
H33C18O6H3459.5°59.9°

223166

PDB entries from 2024-07-31

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