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2TA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAAC5sing1.51Å1.48Å
C6C5doub1.38Å1.41ÅAromatic
C6N1sing1.32Å1.41ÅAromatic
C5C4sing1.40Å1.42ÅAromatic
N1C2doub1.32Å1.35ÅAromatic
C2N3sing1.33Å1.35ÅAromatic
C2NAFsing1.38Å1.34Å
C4NAWsing1.39Å1.33Å
C4N3doub1.33Å1.35ÅAromatic
NAWCAXsing1.40Å1.40Å
NAFCAGsing1.40Å1.37Å
CAGCAHdoub1.39Å1.37ÅAromatic
CAGCALsing1.39Å1.40ÅAromatic
CAHCAIsing1.38Å1.40ÅAromatic
CAXCAYdoub1.39Å1.40ÅAromatic
CAXCBCsing1.39Å1.42ÅAromatic
CAYCAZsing1.38Å1.39ÅAromatic
CALCAKdoub1.38Å1.39ÅAromatic
CAICAJdoub1.39Å1.39ÅAromatic
CBCCBBdoub1.38Å1.40ÅAromatic
CAZCBAdoub1.38Å1.38ÅAromatic
CAKCAJsing1.39Å1.37ÅAromatic
CAJOAMsing1.36Å1.41Å
CBBCBAsing1.38Å1.38ÅAromatic
CBBSBDsing1.76Å1.78Å
OAMCANsing1.43Å1.42Å
OBKSBDdoub1.42Å1.51Å
NBESBDsing1.66Å1.59Å
NBECBFsing1.47Å1.46Å
CANCAOsing1.53Å1.53Å
SBDOBJdoub1.42Å1.51Å
CBGCBFsing1.53Å1.53Å
CBHCBFsing1.53Å1.56Å
CBFCBIsing1.53Å1.53Å
CAONAPsing1.47Å1.46Å
NAPCAQsing1.49Å1.49Å
NAPCATsing1.49Å1.48Å
CAQCARsing1.54Å1.53Å
CATCASsing1.54Å1.51Å
CARCASsing1.54Å1.55Å
CAQH1sing1.09Å1.10Å
CAQH2sing1.09Å1.10Å
CARH3sing1.09Å1.10Å
CARH4sing1.09Å1.10Å
CASH5sing1.09Å1.10Å
CASH6sing1.09Å1.10Å
CATH7sing1.09Å1.10Å
CATH8sing1.09Å1.10Å
CAOH10sing1.09Å1.10Å
CAOH11sing1.09Å1.10Å
CANH12sing1.09Å1.10Å
CANH13sing1.09Å1.10Å
CAKH14sing1.08Å1.08Å
CALH15sing1.08Å1.08Å
CAIH16sing1.08Å1.08Å
CAHH17sing1.08Å1.08Å
NAFH18sing0.97Å1.00Å
C6H19sing1.08Å1.08Å
CAAH20sing1.09Å1.10Å
CAAH21sing1.09Å1.10Å
CAAH22sing1.09Å1.10Å
NAWH23sing0.97Å1.00Å
CBCH24sing1.08Å1.08Å
CAYH25sing1.08Å1.08Å
CAZH26sing1.08Å1.08Å
CBAH27sing1.08Å1.08Å
NBEH28sing0.97Å1.00Å
CBHH29sing1.09Å1.10Å
CBHH30sing1.09Å1.10Å
CBHH31sing1.09Å1.10Å
CBIH32sing1.09Å1.10Å
CBIH33sing1.09Å1.10Å
CBIH34sing1.09Å1.10Å
CBGH35sing1.09Å1.10Å
CBGH36sing1.09Å1.10Å
CBGH37sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAAC5C6118.3°120.7°
CAAC5C4125.8°120.8°
C5CAAH20109.5°109.5°
C5CAAH21109.5°109.4°
C5CAAH22109.4°109.5°
C5C6N1122.8°119.3°
C6C5C4115.9°118.5°
C5C6H19118.6°120.3°
C6N1C2116.7°121.0°
N1C6H19118.6°120.4°
C5C4NAW115.5°120.5°
C5C4N3119.9°119.1°
N1C2N3122.2°121.6°
N1C2NAF113.6°119.3°
N3C2NAF124.0°119.2°
C2N3C4122.4°120.6°
C2NAFCAG125.3°120.0°
C2NAFH18117.4°120.1°
NAWC4N3124.5°120.4°
C4NAWCAX124.5°120.0°
C4NAWH23117.8°120.0°
NAWCAXCAY113.1°120.1°
NAWCAXCBC129.0°120.1°
CAXNAWH23117.8°120.0°
NAFCAGCAH128.0°120.0°
NAFCAGCAL115.4°120.0°
CAGNAFH18117.3°120.0°
CAHCAGCAL116.1°120.0°
CAGCAHCAI123.3°120.0°
CAGCAHH17118.3°120.0°
CAGCALCAK121.4°120.0°
CAGCALH15119.3°120.0°
CAHCAICAJ118.6°120.0°
CAHCAIH16120.7°120.0°
CAICAHH17118.4°120.0°
CAYCAXCBC117.9°119.8°
CAXCAYCAZ122.2°119.9°
CAXCAYH25118.9°120.0°
CAXCBCCBB118.8°120.0°
CAXCBCH24120.6°120.0°
CAYCAZCBA118.9°120.1°
CAZCAYH25118.9°120.0°
CAYCAZH26120.5°120.0°
CALCAKCAJ121.1°120.0°
CALCAKH14119.4°119.9°
CAKCALH15119.3°120.0°
CAICAJCAK119.0°120.0°
CAICAJOAM114.8°120.0°
CAJCAIH16120.7°120.0°
CBCCBBCBA121.6°120.1°
CBCCBBSBD118.9°120.0°
CBBCBCH24120.6°120.1°
CAZCBACBB120.5°120.1°
CBACAZH26120.5°119.9°
CAZCBAH27119.8°120.0°
CAKCAJOAM126.1°120.0°
CAJCAKH14119.4°120.0°
CAJOAMCAN118.7°117.0°
CBACBBSBD119.3°120.0°
CBBCBAH27119.8°119.9°
CBBSBDOBK104.9°106.4°
CBBSBDNBE106.3°107.2°
CBBSBDOBJ107.3°106.4°
OAMCANCAO106.4°109.5°
OAMCANH12110.2°109.4°
OAMCANH13110.2°109.5°
OBKSBDNBE102.6°106.4°
OBKSBDOBJ122.8°123.2°
SBDNBECBF121.9°120.0°
NBESBDOBJ111.8°106.4°
SBDNBEH28106.3°120.0°
NBECBFCBG102.9°109.5°
NBECBFCBH113.0°109.5°
NBECBFCBI113.3°109.5°
CBFNBEH28106.3°120.0°
CANCAONAP112.9°109.5°
CANCAOH10108.6°109.4°
CANCAOH11108.6°109.5°
CAOCANH12110.2°109.5°
CAOCANH13110.2°109.5°
CBGCBFCBH110.3°109.4°
CBGCBFCBI107.0°109.5°
CBFCBGH35109.5°109.5°
CBFCBGH36109.5°109.5°
CBFCBGH37109.5°109.5°
CBHCBFCBI109.9°109.5°
CBFCBHH29109.5°109.5°
CBFCBHH30109.5°109.5°
CBFCBHH31109.4°109.5°
CBFCBIH32109.5°109.4°
CBFCBIH33109.5°109.5°
CBFCBIH34109.5°109.5°
CAONAPCAQ111.5°111.0°
CAONAPCAT110.1°111.0°
NAPCAOH10108.6°109.5°
NAPCAOH11108.6°109.4°
CAQNAPCAT108.5°104.2°
NAPCAQCAR105.4°104.6°
NAPCAQH1110.5°110.4°
NAPCAQH2110.5°110.5°
NAPCATCAS103.6°104.6°
NAPCATH7110.9°110.4°
NAPCATH8110.9°110.5°
CAQCARCAS96.9°105.1°
CARCAQH1110.5°110.4°
CARCAQH2110.5°110.4°
CAQCARH3112.5°110.3°
CAQCARH4112.5°110.3°
CATCASCAR108.3°105.0°
CATCASH5109.8°110.3°
CATCASH6109.8°110.4°
CASCATH7110.9°110.4°
CASCATH8110.9°110.4°
CASCARH3112.5°110.3°
CASCARH4112.5°110.4°
CARCASH5109.8°110.3°
CARCASH6109.8°110.3°
H1CAQH2109.5°110.4°
H3CARH4109.5°110.3°
H5CASH6109.5°110.3°
H7CATH8109.5°110.4°
H10CAOH11109.5°109.5°
H12CANH13109.5°109.4°
H20CAAH21109.5°109.5°
H20CAAH22109.5°109.5°
H21CAAH22109.5°109.5°
H29CBHH30109.5°109.5°
H29CBHH31109.5°109.4°
H30CBHH31109.5°109.5°
H32CBIH33109.5°109.4°
H32CBIH34109.5°109.5°
H33CBIH34109.4°109.5°
H35CBGH36109.5°109.5°
H35CBGH37109.5°109.4°
H36CBGH37109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAAC5C6C4179.9°179.7°
CAAC5C6N1179.3°180.0°
CAAC5C4NAW1.2°0.3°
CAAC5C4N3178.8°179.7°
CAAC5C6H190.7°0.3°
C5CAAH20H21120.0°120.0°
C5CAAH20H22120.0°120.0°
C5CAAH21H22120.0°120.0°
C5C6N1H19180.0°179.7°
C5C6N1C22.9°0.1°
C6C5C4NAW178.7°180.0°
C6C5C4N31.1°0.5°
C6C5CAAH2090.0°90.0°
C6C5CAAH21150.0°150.0°
C6C5CAAH2230.0°30.0°
N1C6C5C40.8°0.3°
C6N1C2N33.2°0.1°
C6N1C2NAF178.6°179.7°
C5C4N3C20.8°0.6°
C5C4NAWN3177.5°179.5°
C5C4NAWCAX173.6°178.8°
C4C5C6H19179.2°179.9°
C4C5CAAH2090.0°89.7°
C4C5CAAH2129.9°30.3°
C4C5CAAH22149.9°150.3°
C5C4NAWH236.4°1.2°
N1C2N3NAF174.9°179.6°
N1C2N3C41.5°0.4°
N1C2NAFCAG168.8°3.1°
N1C2NAFH1811.2°176.9°
C2N1C6H19177.1°179.7°
C2N3C4NAW178.2°180.0°
N3C2NAFCAG15.9°177.3°
N3C2NAFH18164.1°2.7°
NAFC2N3C4176.4°180.0°
C2NAFCAGH18180.0°180.0°
C2NAFCAGCAH24.6°143.2°
C2NAFCAGCAL163.2°37.0°
C4NAWCAXH23180.0°180.0°
C4NAWCAXCAY174.7°34.9°
C4NAWCAXCBC8.3°145.4°
N3C4NAWCAX8.9°1.7°
N3C4NAWH23171.2°178.3°
NAWCAXCAYCBC177.3°179.7°
NAWCAXCAYCAZ179.0°180.0°
NAWCAXCBCCBB175.3°180.0°
NAWCAXCBCH244.7°0.0°
NAWCAXCAYH251.0°0.0°
NAFCAGCAHCAL172.1°179.8°
NAFCAGCAHCAI178.6°180.0°
NAFCAGCALCAK176.9°180.0°
NAFCAGCALH153.1°0.0°
NAFCAGCAHH171.4°0.0°
CAGCAHCAIH17180.0°180.0°
CAHCAGCALCAK3.9°0.2°
CAGCAHCAICAJ6.9°0.0°
CAHCAGCALH15176.2°179.8°
CAGCAHCAIH16173.1°180.0°
CAHCAGNAFH18155.4°36.8°
CALCAGCAHCAI6.5°0.3°
CAGCALCAKH15180.0°180.0°
CAGCALCAKCAJ1.8°0.0°
CAGCALCAKH14178.2°179.9°
CALCAGCAHH17173.5°179.7°
CALCAGNAFH1816.8°143.0°
CAHCAICAJH16180.0°180.0°
CAHCAICAJCAK4.4°0.3°
CAHCAICAJOAM177.5°180.0°
CAXCAYCAZH25180.0°180.0°
CAYCAXCBCCBB1.6°0.3°
CAXCAYCAZCBA3.2°0.0°
CAYCAXNAWH235.3°145.1°
CAYCAXCBCH24178.5°179.7°
CAXCAYCAZH26176.8°179.9°
CBCCAXCAYCAZ1.7°0.3°
CAXCBCCBBH24180.0°180.0°
CAXCBCCBBCBA3.3°0.0°
CAXCBCCBBSBD177.0°180.0°
CBCCAXNAWH23171.7°34.6°
CBCCAXCAYH25178.3°179.8°
CAYCAZCBAH26180.0°179.9°
CAYCAZCBACBB1.5°0.2°
CAYCAZCBAH27178.4°180.0°
CALCAKCAJCAI2.0°0.3°
CALCAKCAJH14180.0°179.9°
CALCAKCAJOAM179.9°180.0°
CAICAJCAKOAM177.9°179.7°
CAICAJOAMCAN164.1°0.3°
CAICAJCAKH14178.0°179.8°
CAJCAICAHH17173.1°180.0°
CBCCBBCBACAZ1.7°0.3°
CBCCBBCBASBD173.8°179.9°
CBCCBBSBDOBK86.0°33.0°
CBCCBBSBDNBE22.2°80.5°
CBCCBBSBDOBJ141.9°165.9°
CBCCBBCBAH27178.3°180.0°
CAZCBACBBH27180.0°179.8°
CAZCBACBBSBD175.5°179.8°
CBACAZCAYH25176.8°180.0°
CAKCAJOAMCAN13.9°180.0°
CAJCAKCALH15178.2°179.9°
CAKCAJCAIH16175.6°179.7°
CAJOAMCANCAO162.0°180.0°
CAJOAMCANH1242.4°60.0°
CAJOAMCANH1378.5°59.9°
OAMCAJCAKH140.0°0.1°
OAMCAJCAIH162.5°0.1°
CBACBBSBDOBK87.9°147.0°
CBACBBSBDNBE163.9°99.5°
CBACBBSBDOBJ44.2°14.0°
CBACBBCBCH24176.8°180.0°
CBBCBACAZH26178.5°179.7°
CBBSBDOBKNBE110.9°114.0°
CBBSBDOBKOBJ122.5°123.0°
CBBSBDNBEOBJ116.8°113.5°
CBBSBDNBECBF86.4°67.8°
SBDCBBCBCH243.0°0.0°
SBDCBBCBAH274.6°0.0°
CBBSBDNBEH2835.3°112.3°
OAMCANCAOH12119.5°120.0°
OAMCANCAOH13119.5°120.0°
OAMCANCAONAP40.8°65.0°
OAMCANCAOH10161.3°54.9°
OAMCANCAOH1179.7°175.0°
OAMCANH12H13121.4°120.0°
OBKSBDNBEOBJ133.4°133.0°
OBKSBDNBECBF163.7°178.7°
OBKSBDNBEH2874.6°1.2°
SBDNBECBFH28121.7°179.9°
SBDNBECBFCBG169.2°157.2°
SBDNBECBFCBH50.2°37.2°
SBDNBECBFCBI75.6°82.8°
CBFNBESBDOBJ30.3°45.7°
NBECBFCBGCBH120.8°120.0°
NBECBFCBGCBI119.7°120.0°
NBECBFCBHCBI127.7°120.0°
NBECBFCBHH29180.0°70.4°
NBECBFCBHH3060.0°169.6°
NBECBFCBHH3160.0°49.5°
NBECBFCBIH32180.0°62.4°
NBECBFCBIH3360.0°177.7°
NBECBFCBIH3460.0°57.6°
NBECBFCBGH35180.0°60.0°
NBECBFCBGH3660.0°180.0°
NBECBFCBGH3760.0°60.0°
CANCAONAPH10120.5°120.0°
CANCAONAPH11120.5°120.0°
CANCAONAPCAQ59.6°170.0°
CANCAONAPCAT179.9°74.6°
CANCAOH10H11118.4°120.0°
CAOCANH12H13121.4°120.0°
OBJSBDNBEH28152.0°134.2°
CBGCBFCBHCBI117.7°120.0°
CBGCBFNBEH2847.5°22.9°
CBGCBFCBHH2965.4°169.6°
CBGCBFCBHH30174.6°49.6°
CBGCBFCBHH3154.6°70.5°
CBGCBFCBIH3267.2°57.6°
CBGCBFCBIH3352.8°62.3°
CBGCBFCBIH34172.7°177.6°
CBFCBGH35H36120.0°120.0°
CBFCBGH35H37120.0°120.0°
CBFCBGH36H37120.0°120.0°
CBHCBFNBEH2871.5°142.9°
CBFCBHH29H30120.0°120.0°
CBFCBHH29H31120.0°120.0°
CBFCBHH30H31120.0°120.1°
CBHCBFCBIH3252.5°177.6°
CBHCBFCBIH33172.5°57.7°
CBHCBFCBIH3467.5°62.4°
CBHCBFCBGH3559.2°60.0°
CBHCBFCBGH3660.8°60.0°
CBHCBFCBGH37179.2°180.0°
CBICBFNBEH28162.7°97.1°
CBICBFCBHH2952.3°49.6°
CBICBFCBHH3067.7°70.4°
CBICBFCBHH31172.3°169.5°
CBFCBIH32H33120.0°119.9°
CBFCBIH32H34120.0°120.0°
CBFCBIH33H34120.0°120.0°
CBICBFCBGH3560.3°180.0°
CBICBFCBGH36179.7°60.0°
CBICBFCBGH3759.7°60.1°
CAONAPCAQCAT121.5°119.5°
CAONAPCAQCAR152.2°159.0°
CAONAPCATCAS128.5°159.0°
CAONAPCAQH188.4°40.2°
CAONAPCAQH232.9°82.2°
CAONAPCATH79.4°82.2°
CAONAPCATH8112.5°40.2°
NAPCAOH10H11118.5°120.0°
NAPCAOCANH1278.7°175.0°
NAPCAOCANH13160.3°55.0°
NAPCAQCARH1119.4°118.8°
NAPCAQCARH2119.3°118.8°
CAQNAPCATCAS6.1°39.5°
NAPCAQCARCAS40.0°23.9°
NAPCAQH1H2121.9°122.4°
NAPCAQCARH377.9°95.0°
NAPCAQCARH4157.9°142.8°
CAQNAPCATH7112.9°158.3°
CAQNAPCATH8125.2°79.3°
CAQNAPCAOH1060.9°70.0°
CAQNAPCAOH11179.9°50.0°
CATNAPCAQCAR30.7°39.5°
NAPCATCASH7119.1°118.8°
NAPCATCASH8119.1°118.9°
NAPCATCASCAR20.5°23.8°
CATNAPCAQH1150.1°79.3°
CATNAPCAQH288.6°158.3°
NAPCATCASH599.3°95.0°
NAPCATCASH6140.4°142.8°
NAPCATH7H8122.7°122.5°
CATNAPCAOH1059.6°45.4°
CATNAPCAOH1159.4°165.4°
CAQCARCASCAT37.2°0.0°
CAQCARCASH3117.9°118.9°
CAQCARCASH4117.9°118.9°
CARCAQH1H2121.9°122.4°
CAQCARH3H4125.9°122.2°
CAQCARCASH582.6°118.9°
CAQCARCASH6157.0°119.0°
CATCASCARH5119.8°118.9°
CATCASCARH6119.8°119.0°
CATCASCARH380.7°118.9°
CATCASCARH4155.1°118.9°
CATCASH5H6120.6°122.3°
CASCATH7H8122.7°122.3°
CASCARCAQH1159.3°94.9°
CASCARCAQH279.4°142.7°
CASCARH3H4125.9°122.2°
CARCASH5H6120.5°122.1°
CARCASCATH7139.6°142.7°
CARCASCATH898.5°95.1°
H1CAQCARH341.5°146.2°
H1CAQCARH482.7°24.0°
H2CAQCARH3162.8°23.8°
H2CAQCARH438.6°98.3°
H3CARCASH5159.5°0.0°
H3CARCASH639.2°122.1°
H4CARCASH535.3°122.2°
H4CARCASH685.1°0.1°
H5CASCATH719.8°23.8°
H5CASCATH8141.7°146.1°
H6CASCATH7100.5°98.4°
H6CASCATH821.3°23.8°
H10CAOCANH1241.8°65.0°
H10CAOCANH1379.2°175.0°
H11CAOCANH12160.8°55.0°
H11CAOCANH1339.8°65.0°
H14CAKCALH151.8°0.0°
H16CAICAHH176.9°0.0°
H20CAAH21H22120.0°120.0°
H25CAYCAZH263.2°0.1°
H26CAZCBAH271.5°0.1°
H29CBHH30H31120.0°119.9°
H32CBIH33H34120.0°120.0°
H35CBGH36H37120.0°120.0°

223532

PDB entries from 2024-08-07

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