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15S

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAKCAMdoub1.38Å1.41ÅAromatic
CAKCBAsing1.39Å1.46ÅAromatic
FAECBAsing1.35Å1.36Å
CAMCBBsing1.40Å1.38ÅAromatic
CBACAJdoub1.39Å1.37ÅAromatic
CBBCAYsing1.48Å1.53Å
CBBCALdoub1.39Å1.43ÅAromatic
CAJCALsing1.38Å1.42ÅAromatic
CAYCAOdoub1.31Å1.49Å
CAYCAFsing1.51Å1.51Å
CAOCAQsing1.50Å1.48Å
CAFCANsing1.53Å1.48Å
CAQNBHsing1.47Å1.46Å
OABCAWdoub1.21Å1.26Å
CANNBHsing1.47Å1.45Å
NBHCsing1.35Å1.45Å
OCdoub1.21Å1.25Å
CCAsing1.51Å1.53Å
CAWCATsing1.51Å1.49Å
CAWNsing1.35Å1.49Å
CANsing1.46Å1.47Å
CACBsing1.53Å1.42Å
CATNBIsing1.47Å1.51Å
CASNAUsing1.46Å1.46Å
CASCBGsing1.53Å1.57Å
NAUCAXsing1.35Å1.49Å
NBICBGsing1.47Å1.51Å
NBICARsing1.46Å1.48Å
CBGCBEsing1.51Å1.49Å
CAXOACdoub1.22Å1.40Å
CAXCBDsing1.48Å1.52Å
CARCAPsing1.52Å1.57Å
CBECBDdoub1.40Å1.43ÅAromatic
CBECBCsing1.38Å1.41ÅAromatic
CBDCAIsing1.39Å1.45ÅAromatic
CAPCBCsing1.50Å1.55Å
CBCCAHdoub1.39Å1.45ÅAromatic
CAICAGdoub1.38Å1.40ÅAromatic
CAHCAGsing1.38Å1.43ÅAromatic
NAUH3sing0.97Å1.00Å
CASH5sing1.09Å1.10Å
CASH6sing1.09Å1.10Å
CBGH7sing1.09Å1.10Å
CAIH8sing1.08Å1.08Å
CAGH9sing1.08Å1.08Å
CAHH10sing1.08Å1.08Å
CAPH11sing1.09Å1.10Å
CAPH12sing1.09Å1.10Å
CARH13sing1.09Å1.10Å
CARH14sing1.09Å1.10Å
CATH16sing1.09Å1.10Å
CATH17sing1.09Å1.10Å
NH18sing0.97Å1.00Å
CAH19sing1.09Å1.10Å
CBH20sing1.09Å1.10Å
CBH21sing1.09Å1.10Å
CBH22sing1.09Å1.10Å
CAQH23sing1.09Å1.10Å
CAQH24sing1.09Å1.10Å
CAOH25sing1.08Å1.08Å
CANH27sing1.09Å1.10Å
CANH28sing1.09Å1.10Å
CAFH29sing1.09Å1.10Å
CAFH30sing1.09Å1.10Å
CALH32sing1.08Å1.08Å
CAJH33sing1.08Å1.08Å
CAKH34sing1.08Å1.08Å
CAMH35sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAMCAKCBA120.5°120.1°
CAKCAMCBB119.2°119.9°
CAMCAKH34119.7°120.0°
CAKCAMH35120.4°120.1°
CAKCBAFAE120.5°119.9°
CAKCBACAJ119.3°120.3°
CBACAKH34119.7°119.9°
FAECBACAJ120.2°119.9°
CAMCBBCAY121.5°120.1°
CAMCBBCAL121.1°119.8°
CBBCAMH35120.4°120.1°
CBACAJCAL120.5°120.1°
CBACAJH33119.7°120.0°
CAYCBBCAL117.4°120.1°
CBBCAYCAO103.8°117.8°
CBBCAYCAF110.9°117.9°
CBBCALCAJ119.4°119.9°
CBBCALH32120.3°120.1°
CAJCALH32120.3°120.0°
CALCAJH33119.8°120.0°
CAOCAYCAF119.5°124.3°
CAYCAOCAQ116.3°123.4°
CAYCAOH25121.8°118.3°
CAYCAFCAN112.1°110.3°
CAYCAFH29108.8°109.4°
CAYCAFH30108.8°109.2°
CAOCAQNBH113.8°109.2°
CAOCAQH23108.4°109.5°
CAOCAQH24108.4°109.6°
CAQCAOH25121.8°118.3°
CAFCANNBH106.1°107.9°
CAFCANH27110.3°109.8°
CAFCANH28110.3°109.9°
CANCAFH29108.8°109.3°
CANCAFH30108.8°109.3°
CAQNBHCAN115.3°117.3°
CAQNBHC117.9°121.3°
NBHCAQH23108.4°109.5°
NBHCAQH24108.4°109.5°
OABCAWCAT119.4°120.0°
OABCAWN121.8°120.0°
CANNBHC126.9°121.3°
NBHCANH27110.3°109.7°
NBHCANH28110.3°109.8°
NBHCO114.6°120.0°
NBHCCA124.5°120.0°
OCCA120.9°119.9°
CCAN107.3°109.5°
CCACB112.5°109.4°
CCAH19109.1°109.4°
CATCAWN118.8°120.0°
CAWCATNBI116.1°109.5°
CAWCATH16107.8°109.4°
CAWCATH17107.8°109.5°
CAWNCA123.5°120.0°
CAWNH18118.2°120.0°
NCACB107.3°109.5°
CANH18118.3°120.0°
NCAH19109.9°109.5°
CBCAH19110.6°109.4°
CACBH20109.5°109.5°
CACBH21109.5°109.5°
CACBH22109.5°109.4°
CATNBICBG119.1°111.0°
CATNBICAR122.4°111.0°
NBICATH16107.8°109.5°
NBICATH17107.8°109.5°
NAUCASCBG109.8°110.7°
CASNAUCAX113.3°120.7°
CASNAUH3123.4°119.7°
NAUCASH5109.4°109.3°
NAUCASH6109.4°109.2°
CASCBGNBI119.3°109.6°
CASCBGCBE109.4°110.2°
CBGCASH5109.4°109.2°
CBGCASH6109.4°109.2°
CASCBGH7102.2°109.5°
NAUCAXOAC112.6°120.3°
NAUCAXCBD114.4°119.4°
CAXNAUH3123.3°119.7°
CBGNBICAR117.9°110.5°
NBICBGCBE117.5°108.8°
NBICBGH7102.6°109.3°
NBICARCAP115.0°111.1°
NBICARH13108.1°109.1°
NBICARH14108.1°109.1°
CBGCBECBD118.4°118.8°
CBGCBECBC122.0°121.1°
CBECBGH7102.8°109.4°
OACCAXCBD113.0°120.3°
CAXCBDCBE123.0°119.3°
CAXCBDCAI117.4°120.7°
CARCAPCBC110.3°112.5°
CARCAPH11109.3°108.8°
CARCAPH12109.3°108.8°
CAPCARH13108.1°109.2°
CAPCARH14108.1°109.2°
CBDCBECBC119.6°120.1°
CBECBDCAI119.5°120.1°
CBECBCCAP121.1°122.1°
CBECBCCAH121.3°119.4°
CBDCAICAG120.0°119.4°
CBDCAIH8120.0°120.3°
CAPCBCCAH117.6°118.4°
CBCCAPH11109.3°108.9°
CBCCAPH12109.3°108.9°
CBCCAHCAG118.2°120.8°
CBCCAHH10120.9°119.6°
CAICAGCAH121.3°120.2°
CAGCAIH8120.0°120.3°
CAICAGH9119.4°119.9°
CAHCAGH9119.3°119.9°
CAGCAHH10120.9°119.6°
H5CASH6109.5°109.2°
H11CAPH12109.4°108.8°
H13CARH14109.5°109.1°
H16CATH17109.5°109.5°
H20CBH21109.4°109.5°
H20CBH22109.4°109.5°
H21CBH22109.5°109.4°
H23CAQH24109.5°109.6°
H27CANH28109.5°109.7°
H29CAFH30109.5°109.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAMCAKCBAH34180.0°179.6°
CAMCAKCBAFAE179.9°179.8°
CAKCAMCBBH35180.0°179.6°
CAMCAKCBACAJ0.5°0.2°
CAKCAMCBBCAY179.2°179.8°
CAKCAMCBBCAL1.1°0.4°
CAKCBAFAECAJ179.5°180.0°
CBACAKCAMCBB1.1°0.4°
CAKCBACAJCAL0.2°0.0°
CAKCBACAJH33179.8°179.9°
CBACAKCAMH35178.9°180.0°
FAECBACAJCAL179.3°180.0°
FAECBACAJH330.7°0.0°
FAECBACAKH340.0°0.2°
CAMCBBCAYCAL178.2°179.8°
CAMCBBCALCAJ0.4°0.2°
CAMCBBCAYCAO131.4°115.2°
CAMCBBCAYCAF99.0°65.0°
CAMCBBCALH32179.6°179.8°
CBBCAMCAKH34178.9°180.0°
CBACAJCALCBB0.2°0.0°
CBACAJCALH33180.0°180.0°
CBACAJCALH32179.8°179.9°
CAJCBACAKH34179.5°179.8°
CAYCBBCALCAJ178.6°180.0°
CBBCAYCAOCAF124.2°179.8°
CBBCAYCAOCAQ146.5°179.2°
CBBCAYCAFCAN110.9°161.0°
CBBCAYCAOH2533.5°0.8°
CBBCAYCAFH299.5°40.8°
CBBCAYCAFH30128.8°78.8°
CAYCBBCALH321.4°0.0°
CAYCBBCAMH350.8°0.2°
CBBCALCAJH32180.0°180.0°
CALCBBCAYCAO46.8°65.0°
CALCBBCAYCAF82.8°114.8°
CBBCALCAJH33179.8°180.0°
CALCBBCAMH35178.9°180.0°
CAYCAOCAQH25180.0°179.9°
CAOCAYCAFCAN9.8°18.7°
CAYCAOCAQNBH9.0°11.1°
CAYCAOCAQH23111.6°130.9°
CAYCAOCAQH24129.6°108.9°
CAOCAYCAFH29130.2°139.0°
CAOCAYCAFH30110.5°101.5°
CAFCAYCAOCAQ22.3°0.6°
CAYCAFCANH29120.4°120.4°
CAYCAFCANH30120.4°120.1°
CAYCAFCANNBH52.4°45.6°
CAFCAYCAOH25157.7°179.5°
CAYCAFCANH2767.1°74.0°
CAYCAFCANH28171.8°165.2°
CAYCAFH29H30118.8°119.5°
CAOCAQNBHH23120.6°119.9°
CAOCAQNBHH24120.6°120.0°
CAOCAQNBHCAN37.6°43.5°
CAOCAQNBHC141.5°136.7°
CAOCAQH23H24118.0°120.2°
CAFCANNBHCAQ69.9°62.5°
CAFCANNBHH27119.5°119.6°
CAFCANNBHH28119.4°119.7°
CAFCANNBHC109.2°117.7°
CAFCANH27H28121.6°120.9°
CANCAFH29H30118.8°119.6°
CAQNBHCANC179.1°179.8°
CAQNBHCO0.1°180.0°
CAQNBHCCA179.8°0.0°
NBHCAQH23H24118.0°120.1°
NBHCAQCAOH25171.0°169.0°
CAQNBHCANH2749.6°57.1°
CAQNBHCANH28170.7°177.8°
OABCAWCATN179.7°179.9°
OABCAWNCA0.3°0.0°
OABCAWCATNBI175.0°0.0°
OABCAWCATH1664.0°120.0°
OABCAWCATH1754.1°120.0°
OABCAWNH18179.8°180.0°
CANNBHCO178.9°0.2°
CANNBHCCA1.1°179.8°
CANNBHCAQH23158.3°163.4°
CANNBHCAQH2483.0°76.5°
NBHCANH27H28121.6°120.7°
NBHCANCAFH29172.8°165.9°
NBHCANCAFH3068.0°74.5°
NBHCOCA180.0°180.0°
NBHCCAN179.9°180.0°
NBHCCACB62.0°60.0°
NBHCCAH1961.1°60.0°
CNBHCAQH2320.9°16.8°
CNBHCAQH2497.8°103.3°
CNBHCANH27131.3°122.7°
CNBHCANH2810.2°2.0°
OCCAN0.1°0.0°
OCCACB117.9°120.0°
OCCAH19118.9°120.0°
CCANCAW83.2°155.0°
CCANCB121.2°120.0°
CCANH19118.5°120.0°
CCACBH19122.3°119.9°
CCANH1896.8°25.0°
CCACBH20180.0°59.9°
CCACBH2160.0°180.0°
CCACBH2260.0°60.1°
CATCAWNCA179.4°180.0°
CAWCATNBIH16120.9°119.9°
CAWCATNBIH17121.0°120.0°
CAWCATNBICBG112.9°169.9°
CAWCATNBICAR76.3°66.7°
CAWCATH16H17117.0°120.0°
CATCAWNH180.5°0.0°
CAWNCAH18180.0°180.0°
CAWNCACB155.7°85.0°
NCAWCATNBI4.7°180.0°
NCAWCATH16116.3°60.1°
NCAWCATH17125.6°59.9°
CAWNCAH1935.3°35.0°
NCACBH19119.9°120.0°
NCACBH2062.2°180.0°
NCACBH2157.8°60.0°
NCACBH22177.8°60.0°
CBCANH1824.3°95.0°
CACBH20H21120.0°120.0°
CACBH20H22120.0°120.0°
CACBH21H22120.0°120.0°
CATNBICBGCAS62.7°56.8°
CATNBICBGCAR171.3°123.6°
CATNBICBGCBE161.1°177.4°
CATNBICARCAP131.7°170.2°
CATNBICBGH749.2°63.2°
CATNBICARH13107.6°69.3°
CATNBICARH1410.9°49.8°
NBICATH16H17117.0°120.1°
NAUCASCBGH5120.1°120.4°
NAUCASCBGH6120.0°120.3°
CASNAUCAXH3180.0°179.9°
NAUCASCBGNBI160.5°171.5°
NAUCASCBGCBE60.1°51.8°
CASNAUCAXOAC162.4°172.8°
CASNAUCAXCBD31.6°7.5°
NAUCASH5H6119.8°119.4°
NAUCASCBGH748.3°68.6°
CBGCASNAUCAX61.3°40.7°
CASCBGNBICBE136.1°120.5°
CASCBGNBIH7111.9°120.0°
CASCBGNBICAR126.0°179.5°
CASCBGCBEH7108.0°120.4°
CASCBGCBECBD30.8°34.0°
CASCBGCBECBC151.1°146.4°
CBGCASNAUH3118.7°139.4°
CBGCASH5H6119.9°119.3°
NAUCAXOACCBD131.5°179.7°
NAUCAXCBDCBE1.6°13.7°
NAUCAXCBDCAI179.4°165.7°
CAXNAUCASH558.8°79.6°
CAXNAUCASH6178.7°161.0°
NBICBGCBEH7111.8°119.4°
CBGNBICARCAP39.3°66.2°
NBICBGCBECBD171.0°154.2°
NBICBGCBECBC10.9°26.2°
NBICBGCASH579.4°51.1°
NBICBGCASH640.5°68.2°
CBGNBICARH1381.5°54.3°
CBGNBICARH14160.1°173.4°
CBGNBICATH16126.2°50.0°
CBGNBICATH178.1°70.1°
CARNBICBGCBE10.1°59.0°
NBICARCAPH13120.8°120.4°
NBICARCAPH14120.8°120.4°
NBICARCAPCBC46.3°36.4°
CARNBICBGH7122.1°60.4°
NBICARCAPH11166.4°157.2°
NBICARCAPH1273.9°84.3°
NBICARH13H14117.5°119.1°
CARNBICATH1644.7°173.4°
CARNBICATH17162.8°53.3°
CBGCBECBDCAX2.9°1.6°
CBGCBECBDCBC178.2°179.6°
CBGCBECBDCAI179.3°179.0°
CBGCBECBCCAP1.0°0.3°
CBGCBECBCCAH179.5°179.0°
CBECBGCASH559.9°68.6°
CBECBGCASH6179.8°172.1°
OACCAXCBDCBE132.2°166.0°
OACCAXCBDCAI50.0°14.6°
OACCAXNAUH317.6°7.1°
CAXCBDCBECAI177.8°179.4°
CAXCBDCBECBC178.9°178.8°
CAXCBDCAICAG178.5°179.1°
CBDCAXNAUH3148.4°172.6°
CAXCBDCAIH81.5°1.0°
CARCAPCBCCBE26.8°4.5°
CARCAPCBCH11120.1°120.8°
CARCAPCBCH12120.1°120.7°
CARCAPCBCCAH152.7°174.2°
CARCAPH11H12119.6°118.4°
CAPCARH13H14117.5°119.2°
CBDCBECBCCAP179.1°179.2°
CBDCBECBCCAH1.4°0.6°
CBECBDCAICAG0.6°0.3°
CBDCBECBGH777.2°86.4°
CBECBDCAIH8179.4°179.7°
CBCCBECBDCAI1.1°0.5°
CBECBCCAPCAH179.5°178.7°
CBECBCCAHCAG1.1°0.4°
CBCCBECBGH7100.9°93.2°
CBECBCCAHH10178.9°179.9°
CBECBCCAPH11146.9°125.2°
CBECBCCAPH1293.4°116.2°
CBDCAICAGH8180.0°180.0°
CBDCAICAGCAH0.3°0.1°
CBDCAICAGH9179.7°179.9°
CAPCBCCAHCAG179.4°179.1°
CAPCBCCAHH100.6°1.4°
CBCCAPH11H12119.6°118.6°
CBCCAPCARH1374.5°84.0°
CBCCAPCARH14167.1°156.8°
CBCCAHCAGCAI0.5°0.1°
CBCCAHCAGH10180.0°179.5°
CBCCAHCAGH9179.5°179.9°
CAHCBCCAPH1132.6°53.4°
CAHCBCCAPH1287.1°65.1°
CAICAGCAHH9180.0°180.0°
CAICAGCAHH10179.5°179.7°
CAHCAGCAIH8179.7°179.9°
H3NAUCASH5121.2°100.2°
H3NAUCASH61.3°19.1°
H5CASCBGH7168.4°171.1°
H6CASCBGH771.7°51.8°
H8CAICAGH90.3°0.1°
H9CAGCAHH100.5°0.4°
H11CAPCARH1345.6°36.8°
H11CAPCARH1472.8°82.4°
H12CAPCARH13165.4°155.2°
H12CAPCARH1446.9°36.1°
H18NCAH19144.7°145.0°
H19CACBH2057.7°60.0°
H19CACBH21177.7°60.1°
H19CACBH2262.3°180.0°
H20CBH21H22120.0°120.0°
H23CAQCAOH2568.3°49.1°
H24CAQCAOH2550.4°71.1°
H27CANCAFH2953.3°46.4°
H27CANCAFH30172.6°165.9°
H28CANCAFH2967.8°74.4°
H28CANCAFH3051.4°45.2°
H32CALCAJH330.2°0.1°
H34CAKCAMH351.1°0.4°

222415

PDB entries from 2024-07-10

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