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3JU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CABCBCsing1.53Å1.53Å
CACCBCsing1.53Å1.54Å
CBCCANsing1.53Å1.50Å
CBCCADsing1.53Å1.54Å
CANCATsing1.51Å1.56Å
CATOAEdoub1.21Å1.23Å
CATNsing1.35Å1.35Å
CD2Nsing1.47Å1.50Å
CD2CGsing1.55Å1.50Å
NCAsing1.47Å1.49Å
OD1CGsing1.43Å1.42Å
CGCBsing1.55Å1.51Å
CACsing1.51Å1.41Å
CACBsing1.54Å1.53Å
OCdoub1.21Å1.22Å
CNARsing1.35Å1.34Å
NARCAMsing1.47Å1.46Å
CAMCAVsing1.51Å1.42Å
CAVCAHdoub1.38Å1.40ÅAromatic
CAVCAIsing1.38Å1.39ÅAromatic
CAHCAJsing1.38Å1.40ÅAromatic
CAICAKdoub1.38Å1.40ÅAromatic
CAJCAXdoub1.40Å1.39ÅAromatic
CAKCAXsing1.40Å1.41ÅAromatic
CAXCAYsing1.48Å1.35Å
CAYSASsing1.76Å1.69ÅAromatic
CAYCAWdoub1.35Å1.35ÅAromatic
SASCALsing1.71Å1.63ÅAromatic
CAWCAAsing1.51Å1.54Å
CAWNAQsing1.31Å1.35ÅAromatic
CALNAQdoub1.29Å1.33ÅAromatic
CABH1sing1.09Å1.10Å
CABH2sing1.09Å1.10Å
CABH3sing1.09Å1.10Å
CACH4sing1.09Å1.10Å
CACH5sing1.09Å1.10Å
CACH6sing1.09Å1.10Å
CADH7sing1.09Å1.10Å
CADH8sing1.09Å1.10Å
CADH9sing1.09Å1.10Å
CANH10sing1.09Å1.10Å
CANH11sing1.09Å1.10Å
CD2H12sing1.09Å1.10Å
CD2H13sing1.09Å1.10Å
CGH14sing1.09Å1.10Å
OD1H15sing0.97Å0.95Å
CBH16sing1.09Å1.10Å
CBH17sing1.09Å1.10Å
CAH18sing1.09Å1.10Å
NARH19sing0.97Å1.00Å
CAMH20sing1.09Å1.10Å
CAMH21sing1.09Å1.10Å
CAIH22sing1.08Å1.08Å
CAKH23sing1.08Å1.08Å
CAHH24sing1.08Å1.08Å
CAJH25sing1.08Å1.08Å
CALH26sing1.08Å1.08Å
CAAH27sing1.09Å1.10Å
CAAH28sing1.09Å1.10Å
CAAH29sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CABCBCCAC107.7°109.5°
CABCBCCAN106.8°109.5°
CABCBCCAD109.3°109.5°
CBCCABH1109.5°109.5°
CBCCABH2109.5°109.5°
CBCCABH3109.5°109.4°
CACCBCCAN111.3°109.5°
CACCBCCAD111.3°109.5°
CBCCACH4109.5°109.5°
CBCCACH5109.5°109.5°
CBCCACH6109.5°109.5°
CANCBCCAD110.3°109.5°
CBCCANCAT109.3°109.5°
CBCCANH10109.5°109.5°
CBCCANH11109.5°109.5°
CBCCADH7109.5°109.5°
CBCCADH8109.5°109.5°
CBCCADH9109.4°109.5°
CANCATOAE120.4°120.0°
CANCATN117.7°120.0°
CATCANH10109.5°109.5°
CATCANH11109.5°109.4°
OAECATN121.9°120.0°
CATNCD2129.2°125.7°
CATNCA121.4°125.6°
NCD2CG104.6°104.8°
CD2NCA109.2°108.7°
NCD2H12110.7°110.4°
NCD2H13110.7°110.3°
CD2CGOD1110.0°111.0°
CD2CGCB103.1°101.6°
CGCD2H12110.7°110.4°
CGCD2H13110.7°110.4°
CD2CGH14110.4°111.0°
NCAC116.1°109.9°
NCACB103.9°107.3°
NCAH18108.8°109.9°
OD1CGCB111.2°111.0°
OD1CGH14111.6°110.9°
CGOD1H15109.5°114.0°
CGCBCA106.3°102.8°
CBCGH14110.3°111.0°
CGCBH16110.3°110.7°
CGCBH17110.3°110.7°
CCACB109.2°110.0°
CACO120.5°120.0°
CACNAR115.6°120.0°
CCAH18109.9°109.9°
CACBH16110.3°111.0°
CACBH17110.3°110.7°
CBCAH18108.4°109.9°
OCNAR123.6°120.0°
CNARCAM124.1°120.0°
CNARH19118.0°120.0°
NARCAMCAV108.7°109.5°
CAMNARH19117.9°120.0°
NARCAMH20109.7°109.4°
NARCAMH21109.7°109.4°
CAMCAVCAH123.7°119.9°
CAMCAVCAI118.9°119.8°
CAVCAMH20109.6°109.5°
CAVCAMH21109.6°109.5°
CAHCAVCAI117.5°120.3°
CAVCAHCAJ121.3°120.2°
CAVCAHH24119.4°119.9°
CAVCAICAK121.0°120.1°
CAVCAIH22119.5°120.0°
CAHCAJCAX121.5°119.9°
CAJCAHH24119.3°119.9°
CAHCAJH25119.2°120.0°
CAICAKCAX121.7°119.9°
CAKCAIH22119.5°119.9°
CAICAKH23119.2°120.0°
CAJCAXCAK117.1°119.7°
CAJCAXCAY121.1°120.2°
CAXCAJH25119.3°120.1°
CAKCAXCAY121.8°120.1°
CAXCAKH23119.2°120.1°
CAXCAYSAS126.4°126.1°
CAXCAYCAW128.1°126.1°
SASCAYCAW105.5°107.8°
CAYSASCAL96.6°90.3°
CAYCAWCAA125.5°122.9°
CAYCAWNAQ115.0°114.2°
SASCALNAQ108.0°110.4°
SASCALH26126.0°124.8°
CAACAWNAQ119.5°122.9°
CAWCAAH27109.5°109.5°
CAWCAAH28109.5°109.5°
CAWCAAH29109.5°109.5°
CAWNAQCAL114.9°117.3°
NAQCALH26126.0°124.8°
H1CABH2109.5°109.5°
H1CABH3109.5°109.5°
H2CABH3109.5°109.5°
H4CACH5109.4°109.4°
H4CACH6109.4°109.5°
H5CACH6109.5°109.4°
H7CADH8109.4°109.5°
H7CADH9109.5°109.5°
H8CADH9109.5°109.4°
H10CANH11109.5°109.5°
H12CD2H13109.5°110.4°
H16CBH17109.5°110.7°
H20CAMH21109.5°109.5°
H27CAAH28109.4°109.5°
H27CAAH29109.5°109.4°
H28CAAH29109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CABCBCCACCAN116.7°120.0°
CABCBCCACCAD119.8°120.0°
CABCBCCANCAD118.7°120.0°
CABCBCCANCAT175.0°60.0°
CBCCABH1H2120.0°120.0°
CBCCABH1H3120.0°120.0°
CBCCABH2H3120.0°120.0°
CABCBCCACH4180.0°60.0°
CABCBCCACH560.0°180.0°
CABCBCCACH660.0°60.0°
CABCBCCADH7180.0°60.0°
CABCBCCADH860.0°180.0°
CABCBCCADH960.0°60.0°
CABCBCCANH1065.1°180.0°
CABCBCCANH1155.0°60.0°
CACCBCCANCAD124.1°120.0°
CACCBCCANCAT67.8°60.0°
CACCBCCABH1180.0°180.0°
CACCBCCABH260.0°60.0°
CACCBCCABH360.0°60.0°
CBCCACH4H5120.0°120.0°
CBCCACH4H6120.0°120.0°
CBCCACH5H6120.0°120.0°
CACCBCCADH761.2°180.0°
CACCBCCADH8178.8°60.0°
CACCBCCADH958.8°60.0°
CACCBCCANH1052.2°60.0°
CACCBCCANH11172.2°180.0°
CBCCANCATH10120.0°120.0°
CBCCANCATH11120.0°120.0°
CBCCANCATOAE71.1°0.0°
CBCCANCATN110.6°180.0°
CANCBCCABH160.3°60.0°
CANCBCCABH259.7°180.0°
CANCBCCABH3179.7°60.0°
CANCBCCACH463.3°180.0°
CANCBCCACH5176.7°60.0°
CANCBCCACH656.7°60.0°
CANCBCCADH762.9°60.0°
CANCBCCADH857.1°60.0°
CANCBCCADH9177.1°180.0°
CBCCANH10H11120.1°120.0°
CADCBCCANCAT56.3°180.0°
CADCBCCABH158.9°60.0°
CADCBCCABH2179.0°60.0°
CADCBCCABH361.1°180.0°
CADCBCCACH460.2°60.0°
CADCBCCACH559.8°60.0°
CADCBCCACH6179.8°180.0°
CBCCADH7H8120.0°120.0°
CBCCADH7H9120.0°120.0°
CBCCADH8H9120.0°120.0°
CADCBCCANH10176.3°60.0°
CADCBCCANH1163.7°60.0°
CANCATOAEN178.2°179.9°
CANCATNCD21.4°0.4°
CANCATNCA175.2°180.0°
CATCANH10H11120.1°120.0°
OAECATNCD2176.8°179.7°
OAECATNCA3.0°0.1°
OAECATCANH1048.8°120.0°
OAECATCANH11168.9°120.0°
CATNCD2CA174.4°179.7°
CATNCD2CG152.9°155.8°
CATNCAC64.9°59.4°
CATNCACB175.1°179.0°
NCATCANH10129.4°60.0°
NCATCANH119.3°60.1°
CATNCD2H1233.7°85.3°
CATNCD2H1387.9°37.0°
CATNCAH1859.7°61.6°
NCD2CGH12119.2°118.9°
NCD2CGH13119.2°118.8°
NCD2CGOD184.5°155.1°
NCD2CGCB34.2°37.0°
CD2NCAC120.2°120.3°
CD2NCACB0.2°0.7°
NCD2H12H13122.2°122.2°
NCD2CGH14152.0°81.1°
CD2NCAH18115.2°118.7°
CGCD2NCA21.5°23.9°
CD2CGOD1CB113.5°112.2°
CD2CGOD1H14122.9°123.9°
CD2CGCBH14117.9°118.1°
CD2CGCBCA35.1°35.7°
CGCD2H12H13122.3°122.3°
CD2CGOD1H15180.0°61.4°
CD2CGCBH16154.6°82.8°
CD2CGCBH1784.4°154.0°
NCACBCG21.8°22.5°
NCACCB117.1°117.9°
NCACH18124.1°121.0°
NCACBH18115.7°119.4°
NCACO33.1°0.0°
NCACNAR152.5°180.0°
CANCD2H12140.7°95.0°
CANCD2H1397.8°142.7°
NCACBH16141.3°95.9°
NCACBH1797.7°140.8°
OD1CGCBH14124.3°123.8°
OD1CGCBCA82.7°153.8°
OD1CGCD2H1234.8°36.3°
OD1CGCD2H13156.3°86.1°
OD1CGCBH1636.8°35.3°
OD1CGCBH17157.8°87.9°
CGCBCAC146.4°96.9°
CGCBCAH16119.5°118.4°
CGCBCAH17119.5°118.3°
CBCGCD2H12153.4°81.8°
CBCGCD2H1385.0°155.8°
CBCGOD1H1566.5°173.7°
CGCBH16H17121.5°123.2°
CGCBCAH1893.8°142.0°
CCACBH18119.8°121.1°
CACONAR174.0°180.0°
CACNARCAM177.2°180.0°
CCACBH1694.1°144.6°
CCACBH1726.9°21.4°
CACNARH192.8°0.0°
CBCACO84.0°117.9°
CBCACNAR90.5°62.1°
CACBCGH14153.0°82.4°
CACBH16H17121.5°123.3°
OCNARCAM3.0°0.0°
OCCAH18157.2°121.0°
OCNARH19177.0°180.0°
CNARCAMH19180.0°179.9°
CNARCAMCAV94.9°180.0°
NARCCAH1828.4°59.0°
CNARCAMH2025.0°60.0°
CNARCAMH21145.2°59.9°
NARCAMCAVH20119.9°119.9°
NARCAMCAVH21119.9°120.0°
NARCAMCAVCAH20.2°90.0°
NARCAMCAVCAI158.8°89.7°
NARCAMH20H21120.4°119.9°
CAMCAVCAHCAI179.0°179.7°
CAMCAVCAHCAJ178.8°180.0°
CAMCAVCAICAK179.3°180.0°
CAVCAMNARH1985.1°0.1°
CAVCAMH20H21120.3°120.1°
CAMCAVCAIH220.8°0.0°
CAMCAVCAHH241.2°0.0°
CAVCAHCAJH24180.0°180.0°
CAHCAVCAICAK0.2°0.3°
CAVCAHCAJCAX0.8°0.0°
CAHCAVCAMH20140.1°30.0°
CAHCAVCAMH2199.6°150.0°
CAHCAVCAIH22179.8°179.7°
CAVCAHCAJH25179.2°179.9°
CAICAVCAHCAJ0.3°0.3°
CAVCAICAKH22180.0°180.0°
CAVCAICAKCAX0.1°0.1°
CAICAVCAMH2038.9°150.3°
CAICAVCAMH2181.3°30.3°
CAVCAICAKH23179.9°180.0°
CAICAVCAHH24179.7°179.7°
CAHCAJCAXH25180.0°179.9°
CAHCAJCAXCAK0.8°0.2°
CAHCAJCAXCAY179.8°180.0°
CAICAKCAXCAJ0.3°0.2°
CAICAKCAXH23180.0°180.0°
CAICAKCAXCAY179.7°180.0°
CAJCAXCAKCAY179.4°179.8°
CAJCAXCAYSAS44.1°47.1°
CAJCAXCAYCAW136.8°132.6°
CAJCAXCAKH23179.6°179.8°
CAXCAJCAHH24179.2°180.0°
CAKCAXCAYSAS135.3°132.8°
CAKCAXCAYCAW43.8°47.6°
CAXCAKCAIH22179.9°180.0°
CAKCAXCAJH25179.2°179.7°
CAXCAYSASCAW179.3°179.7°
CAXCAYSASCAL179.1°180.0°
CAXCAYCAWCAA0.8°0.1°
CAXCAYCAWNAQ178.9°179.8°
CAYCAXCAKH230.3°0.1°
CAYCAXCAJH250.2°0.1°
SASCAYCAWCAA179.9°179.8°
SASCAYCAWNAQ0.3°0.4°
CAYSASCALNAQ0.0°0.0°
CAYSASCALH26180.0°180.0°
CAWCAYSASCAL0.2°0.2°
CAYCAWCAANAQ179.7°179.8°
CAYCAWNAQCAL0.4°0.5°
CAYCAWCAAH27179.7°84.7°
CAYCAWCAAH2859.7°155.3°
CAYCAWCAAH2960.2°35.3°
SASCALNAQCAW0.2°0.3°
SASCALNAQH26180.0°180.0°
CAACAWNAQCAL179.8°179.7°
CAWCAAH27H28120.0°120.0°
CAWCAAH27H29120.0°120.0°
CAWCAAH28H29120.0°120.0°
CAWNAQCALH26179.8°179.7°
NAQCAWCAAH270.0°95.0°
NAQCAWCAAH28120.0°25.0°
NAQCAWCAAH29120.0°145.0°
H1CABH2H3120.0°120.0°
H4CACH5H6119.9°120.0°
H7CADH8H9120.0°120.0°
H12CD2CGH1488.8°160.1°
H13CD2CGH1432.7°37.7°
H14CGOD1H1557.1°62.5°
H14CGCBH1687.6°159.0°
H14CGCBH1733.5°35.9°
H16CBCAH1825.6°23.5°
H17CBCAH18146.6°99.7°
H19NARCAMH20155.0°120.0°
H19NARCAMH2134.8°120.0°
H22CAICAKH230.1°0.0°
H24CAHCAJH250.8°0.0°
H27CAAH28H29120.0°120.0°

222415

PDB entries from 2024-07-10

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