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3JV

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NAQCAJdoub1.29Å1.34ÅAromatic
NAQCAKsing1.31Å1.35ÅAromatic
CAJSASsing1.71Å1.65ÅAromatic
CAKCAXdoub1.35Å1.34ÅAromatic
SASCAXsing1.76Å1.66ÅAromatic
CAXCAYsing1.48Å1.35Å
CAYCAVdoub1.40Å1.41ÅAromatic
CAYCAIsing1.40Å1.39ÅAromatic
CAACAVsing1.51Å1.40Å
CAVCALsing1.38Å1.40ÅAromatic
CAICAHdoub1.38Å1.39ÅAromatic
CALCAWdoub1.38Å1.39ÅAromatic
CAHCAWsing1.38Å1.40ÅAromatic
CAWCAMsing1.51Å1.42Å
CAMNARsing1.46Å1.46Å
NARCsing1.35Å1.35Å
CBCAsing1.54Å1.53Å
CBCGsing1.55Å1.51Å
COdoub1.21Å1.23Å
CCAsing1.51Å1.40Å
CANsing1.47Å1.51Å
CGOD1sing1.43Å1.43Å
CGCD2sing1.55Å1.51Å
NCD2sing1.47Å1.50Å
NCATsing1.35Å1.36Å
OAECATdoub1.21Å1.23Å
CATCANsing1.51Å1.55Å
CACCBCsing1.53Å1.54Å
CANCBCsing1.53Å1.52Å
CBCCABsing1.53Å1.53Å
CBCCADsing1.53Å1.53Å
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
CALH22sing1.08Å1.08Å
CAAH23sing1.09Å1.10Å
CAAH24sing1.09Å1.10Å
CAAH25sing1.09Å1.10Å
CAHH26sing1.08Å1.08Å
CAIH27sing1.08Å1.08Å
CAJH28sing1.08Å1.08Å
CAKH29sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAJNAQCAK115.7°117.3°
NAQCAJSAS107.3°110.3°
NAQCAJH28126.4°124.8°
NAQCAKCAX113.0°114.3°
NAQCAKH29123.5°122.8°
CAJSASCAX95.8°90.4°
SASCAJH28126.4°124.9°
CAKCAXSAS108.3°107.8°
CAKCAXCAY126.6°126.1°
CAXCAKH29123.5°122.9°
SASCAXCAY125.2°126.1°
CAXCAYCAV123.7°120.2°
CAXCAYCAI118.0°120.2°
CAVCAYCAI118.3°119.7°
CAYCAVCAA123.2°120.1°
CAYCAVCAL119.9°119.9°
CAYCAICAH121.2°119.9°
CAYCAIH27119.4°120.0°
CAACAVCAL116.8°120.0°
CAVCAAH23109.5°109.5°
CAVCAAH24109.5°109.4°
CAVCAAH25109.4°109.5°
CAVCALCAW121.7°120.1°
CAVCALH22119.1°120.0°
CAICAHCAW120.8°120.1°
CAICAHH26119.6°119.9°
CAHCAIH27119.4°120.1°
CALCAWCAH118.0°120.3°
CALCAWCAM118.3°119.8°
CAWCALH22119.1°119.9°
CAHCAWCAM123.7°119.9°
CAWCAHH26119.6°120.0°
CAWCAMNAR107.5°109.5°
CAWCAMH20109.9°109.5°
CAWCAMH21109.9°109.5°
CAMNARC121.6°120.0°
CAMNARH19119.2°120.0°
NARCAMH20110.0°109.5°
NARCAMH21109.9°109.4°
NARCO123.9°120.0°
NARCCA115.6°120.0°
CNARH19119.2°120.0°
CACBCG106.3°103.0°
CBCAC108.4°109.8°
CBCAN105.6°107.3°
CACBH16110.3°110.7°
CACBH17110.3°110.8°
CBCAH18108.5°109.9°
CBCGOD1109.8°111.0°
CBCGCD2103.9°101.6°
CBCGH14110.5°111.0°
CGCBH16110.2°110.9°
CGCBH17110.3°110.4°
OCCA120.4°120.0°
CCAN115.0°110.1°
CCAH18110.4°110.0°
CANCD2107.7°108.7°
CANCAT121.2°125.6°
NCAH18108.8°109.6°
OD1CGCD2110.3°111.0°
OD1CGH14111.6°110.9°
CGOD1H15109.5°114.0°
CGCD2N106.1°104.9°
CGCD2H12110.3°110.4°
CGCD2H13110.3°110.5°
CD2CGH14110.5°111.0°
CD2NCAT131.0°125.7°
NCD2H12110.3°110.3°
NCD2H13110.3°110.4°
NCATOAE122.2°120.0°
NCATCAN118.8°120.0°
OAECATCAN118.9°120.0°
CATCANCBC111.0°109.5°
CATCANH10109.1°109.4°
CATCANH11109.1°109.4°
CACCBCCAN113.0°109.5°
CACCBCCAB109.4°109.5°
CACCBCCAD109.7°109.5°
CBCCACH4109.5°109.5°
CBCCACH5109.5°109.5°
CBCCACH6109.5°109.5°
CANCBCCAB109.9°109.5°
CANCBCCAD107.1°109.5°
CBCCANH10109.1°109.5°
CBCCANH11109.1°109.5°
CABCBCCAD107.6°109.5°
CBCCABH1109.5°109.5°
CBCCABH2109.5°109.5°
CBCCABH3109.4°109.5°
CBCCADH7109.5°109.4°
CBCCADH8109.5°109.4°
CBCCADH9109.5°109.5°
H1CABH2109.5°109.4°
H1CABH3109.5°109.4°
H2CABH3109.5°109.4°
H4CACH5109.5°109.5°
H4CACH6109.4°109.4°
H5CACH6109.4°109.5°
H7CADH8109.5°109.5°
H7CADH9109.5°109.5°
H8CADH9109.5°109.5°
H10CANH11109.5°109.5°
H12CD2H13109.5°110.3°
H16CBH17109.5°110.8°
H20CAMH21109.5°109.5°
H23CAAH24109.5°109.5°
H23CAAH25109.5°109.5°
H24CAAH25109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NAQCAJSASH28180.0°179.9°
CAJNAQCAKCAX0.4°0.5°
NAQCAJSASCAX0.4°0.0°
CAJNAQCAKH29179.6°180.0°
CAKNAQCAJSAS0.0°0.3°
NAQCAKCAXH29180.0°179.5°
NAQCAKCAXSAS0.6°0.5°
NAQCAKCAXCAY179.6°179.7°
CAKNAQCAJH28179.9°179.8°
CAJSASCAXCAK0.6°0.2°
CAJSASCAXCAY179.7°180.0°
CAKCAXSASCAY179.7°179.8°
CAKCAXCAYCAV49.1°129.7°
CAKCAXCAYCAI131.5°50.0°
SASCAXCAYCAV131.2°50.1°
SASCAXCAYCAI48.1°130.3°
CAXSASCAJH28179.6°180.0°
SASCAXCAKH29179.3°179.9°
CAXCAYCAVCAI179.3°179.6°
CAXCAYCAVCAA0.5°0.1°
CAXCAYCAVCAL180.0°180.0°
CAXCAYCAICAH179.8°180.0°
CAXCAYCAIH270.2°0.1°
CAYCAXCAKH290.4°0.3°
CAYCAVCAACAL179.6°179.9°
CAVCAYCAICAH0.4°0.3°
CAYCAVCALCAW0.5°0.1°
CAYCAVCALH22179.5°179.9°
CAYCAVCAAH2390.2°90.0°
CAYCAVCAAH24149.8°30.0°
CAYCAVCAAH2529.8°150.0°
CAVCAYCAIH27179.6°179.7°
CAICAYCAVCAA179.8°179.7°
CAICAYCAVCAL0.6°0.3°
CAYCAICAHH27180.0°180.0°
CAYCAICAHCAW0.1°0.0°
CAYCAICAHH26179.9°180.0°
CAACAVCALCAW179.9°180.0°
CAACAVCALH220.1°0.0°
CAVCAAH23H24120.0°120.0°
CAVCAAH23H25120.0°120.0°
CAVCAAH24H25120.0°120.0°
CAVCALCAWH22180.0°180.0°
CAVCALCAWCAH0.2°0.3°
CAVCALCAWCAM179.2°180.0°
CALCAVCAAH2390.2°90.1°
CALCAVCAAH2429.8°150.0°
CALCAVCAAH25149.8°30.0°
CAICAHCAWCAL0.0°0.3°
CAICAHCAWH26180.0°180.0°
CAICAHCAWCAM179.4°180.0°
CALCAWCAHCAM179.4°179.7°
CALCAWCAMNAR160.1°90.0°
CALCAWCAMH2080.2°30.0°
CALCAWCAMH2140.4°150.0°
CALCAWCAHH26180.0°179.7°
CAHCAWCAMNAR19.3°90.3°
CAHCAWCAMH20100.4°149.7°
CAHCAWCAMH21139.0°29.7°
CAHCAWCALH22179.8°179.7°
CAWCAHCAIH27179.9°180.0°
CAWCAMNARH20119.7°120.0°
CAWCAMNARH21119.7°119.9°
CAWCAMNARC92.9°180.0°
CAWCAMNARH1987.0°0.0°
CAWCAMH20H21120.9°120.0°
CAMCAWCALH220.8°0.0°
CAMCAWCAHH260.6°0.1°
CAMNARCH19180.0°180.0°
CAMNARCO0.5°0.1°
CAMNARCCA176.9°180.0°
NARCAMH20H21120.9°120.0°
NARCCACB96.0°61.5°
NARCOCA177.2°179.9°
NARCCAN146.2°179.4°
NARCCAH1822.7°59.6°
CNARCAMH20147.4°60.0°
CNARCAMH2126.7°60.0°
CACBCGH16119.5°118.5°
CACBCGH17119.5°118.3°
CBCACO81.5°118.6°
CBCACN117.8°118.0°
CBCACH18118.7°121.1°
CBCANH18116.3°119.3°
CACBCGOD186.7°82.8°
CACBCGCD231.3°35.3°
CBCANCD20.1°1.4°
CBCANCAT177.0°178.8°
CACBCGH14149.7°153.4°
CACBH16H17121.5°123.3°
CGCBCAC143.1°141.6°
CGCBCAN19.5°21.9°
CBCGOD1CD2113.9°112.2°
CBCGOD1H14122.9°123.9°
CBCGCD2H14118.5°118.1°
CBCGCD2N31.3°37.0°
CBCGCD2H1288.2°155.8°
CBCGCD2H13150.8°81.9°
CBCGOD1H15180.0°173.6°
CGCBH16H17121.5°122.9°
CGCBCAH1897.0°97.2°
OCCAN36.3°0.6°
OCCAH18159.8°120.3°
OCNARH19179.5°180.0°
CCANH18124.4°121.2°
CCANCD2119.3°118.1°
CCANCAT63.6°61.6°
CCACBH1623.7°99.7°
CCACBH1797.3°23.6°
CACNARH193.1°0.0°
CANCD2CG19.6°24.3°
CANCD2CAT176.7°179.8°
CANCATOAE0.8°0.2°
CANCATCAN175.4°179.7°
CANCD2H1299.9°143.2°
CANCD2H13139.1°94.7°
NCACBH16100.0°140.6°
NCACBH17139.0°96.1°
OD1CGCD2H14123.9°123.9°
OD1CGCD2N86.4°81.0°
OD1CGCD2H12154.2°37.8°
OD1CGCD2H1333.1°160.1°
OD1CGCBH16153.8°35.8°
OD1CGCBH1732.8°159.0°
CGCD2NH12119.5°118.8°
CGCD2NH13119.5°119.0°
CGCD2NCAT157.1°155.9°
CGCD2H12H13121.6°122.4°
CD2CGOD1H1566.1°61.5°
CD2CGCBH1688.2°153.9°
CD2CGCBH17150.8°83.0°
CD2NCATOAE177.2°180.0°
CD2NCATCAN1.0°0.0°
NCD2H12H13121.6°122.2°
NCD2CGH14149.8°155.1°
CD2NCAH18116.4°120.6°
NCATOAECAN176.2°180.0°
NCATCANCBC99.3°180.0°
NCATCANH1020.9°60.0°
NCATCANH11140.4°60.0°
CATNCD2H1283.4°37.0°
CATNCD2H1337.7°85.1°
CATNCAH1860.7°59.6°
OAECATCANCBC84.4°0.0°
OAECATCANH10155.4°120.0°
OAECATCANH1135.9°120.0°
CATCANCBCCAC47.9°60.0°
CATCANCBCH10120.3°120.0°
CATCANCBCH11120.2°120.0°
CATCANCBCCAB74.7°60.0°
CATCANCBCCAD168.8°180.0°
CATCANH10H11119.3°119.9°
CACCBCCANCAB122.5°120.0°
CACCBCCANCAD120.9°120.0°
CACCBCCABCAD119.1°120.0°
CACCBCCABH1180.0°60.0°
CACCBCCABH260.0°60.0°
CACCBCCABH360.0°180.0°
CBCCACH4H5120.0°120.1°
CBCCACH4H6120.0°120.0°
CBCCACH5H6120.0°120.0°
CACCBCCADH7180.0°180.0°
CACCBCCADH860.0°60.0°
CACCBCCADH960.0°60.0°
CACCBCCANH1072.4°60.0°
CACCBCCANH11168.1°180.0°
CANCBCCABCAD116.3°120.0°
CANCBCCABH155.4°180.0°
CANCBCCABH264.6°60.0°
CANCBCCABH3175.4°60.0°
CANCBCCACH4180.0°180.0°
CANCBCCACH560.0°60.0°
CANCBCCACH660.0°60.1°
CANCBCCADH757.1°60.0°
CANCBCCADH8177.1°60.0°
CANCBCCADH962.9°180.0°
CBCCANH10H11119.3°120.1°
CBCCABH1H2120.0°120.0°
CBCCABH1H3120.0°120.1°
CBCCABH2H3120.0°120.1°
CABCBCCACH457.2°60.0°
CABCBCCACH562.8°180.0°
CABCBCCACH6177.2°60.0°
CABCBCCADH761.1°60.0°
CABCBCCADH858.9°180.0°
CABCBCCADH9178.9°60.0°
CABCBCCANH10165.1°180.0°
CABCBCCANH1145.6°60.0°
CADCBCCABH160.8°60.0°
CADCBCCABH2179.1°180.0°
CADCBCCABH359.2°60.0°
CADCBCCACH460.6°60.0°
CADCBCCACH5179.4°60.0°
CADCBCCACH659.4°179.9°
CBCCADH7H8120.0°119.9°
CBCCADH7H9120.0°120.0°
CBCCADH8H9120.0°120.0°
CADCBCCANH1048.5°60.0°
CADCBCCANH1171.0°60.0°
H1CABH2H3120.0°119.9°
H4CACH5H6120.0°119.9°
H7CADH8H9120.0°120.1°
H12CD2CGH1430.3°86.1°
H13CD2CGH1490.7°36.2°
H14CGOD1H1557.1°62.5°
H14CGCBH1630.3°88.1°
H14CGCBH1790.7°35.1°
H16CBCAH18143.5°21.5°
H17CBCAH1822.5°144.8°
H19NARCAMH2032.7°120.0°
H19NARCAMH21153.3°120.0°
H23CAAH24H25120.0°120.0°
H26CAHCAIH270.1°0.0°

222415

PDB entries from 2024-07-10

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