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A1LW9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CATCARsing1.51Å1.38Å
CARCAQdoub1.39Å1.38ÅAromatic
CARCASsing1.36Å1.39ÅAromatic
CAQCAPsing1.38Å1.39ÅAromatic
CASCANdoub1.41Å1.33ÅAromatic
CAVOAUsing1.43Å1.44Å
CAPOAUsing1.36Å1.37Å
CAPCAMdoub1.40Å1.34ÅAromatic
CANCAMsing1.40Å1.35ÅAromatic
CANCAOsing1.45Å1.35ÅAromatic
CAMSALsing1.76Å1.64ÅAromatic
CAOCAKdoub1.33Å1.33ÅAromatic
SALCAKsing1.75Å1.62ÅAromatic
NAJC6sing1.38Å1.33Å
CAKCAIsing1.48Å1.34Å
C6C5doub1.40Å1.34ÅAromatic
C6N1sing1.33Å1.34ÅAromatic
CAIC5sing1.46Å1.33ÅAromatic
CAINAHdoub1.31Å1.33ÅAromatic
C5C4sing1.41Å1.33ÅAromatic
N1C2doub1.32Å1.39ÅAromatic
NAHNAGsing1.40Å1.21ÅAromatic
C4NAGsing1.36Å1.33ÅAromatic
C4N3doub1.33Å1.34ÅAromatic
NAGCAWsing1.46Å1.49Å
C2N3sing1.31Å1.39ÅAromatic
CBHCBFsing1.53Å1.53Å
CAWCAXsing1.51Å1.39Å
CAYCAXdoub1.38Å1.39ÅAromatic
CAYCAZsing1.38Å1.39ÅAromatic
CAXCBCsing1.38Å1.39ÅAromatic
CAZCBAdoub1.39Å1.39ÅAromatic
OBGCBEdoub1.21Å1.23Å
CBCCBBdoub1.38Å1.39ÅAromatic
CBACBBsing1.39Å1.39ÅAromatic
CBANBDsing1.40Å1.35Å
CBENBDsing1.35Å1.35Å
CBECBFsing1.51Å1.53Å
CBHH1sing1.09Å1.10Å
CBHH2sing1.09Å1.10Å
CBHH3sing1.09Å1.10Å
CBFH4sing1.09Å1.10Å
CBFH5sing1.09Å1.10Å
NBDH6sing0.97Å1.00Å
CBBH7sing1.08Å1.08Å
CBCH8sing1.08Å1.08Å
CAZH9sing1.08Å1.08Å
CAYH10sing1.08Å1.08Å
CAWH11sing1.09Å1.10Å
CAWH12sing1.09Å1.10Å
C2H13sing1.08Å1.08Å
NAJH14sing0.97Å1.00Å
NAJH15sing0.97Å1.00Å
CAOH16sing1.08Å1.08Å
CASH17sing1.08Å1.08Å
CATH18sing1.09Å1.10Å
CATH19sing1.09Å1.10Å
CATH20sing1.09Å1.10Å
CAQH21sing1.08Å1.08Å
CAVH22sing1.09Å1.10Å
CAVH23sing1.09Å1.10Å
CAVH24sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CATCARCAQ120.5°119.7°
CATCARCAS120.3°119.7°
CARCATH18109.5°109.5°
CARCATH19109.5°109.5°
CARCATH20109.5°109.5°
CAQCARCAS119.2°120.6°
CARCAQCAP117.1°120.2°
CARCAQH21121.5°120.0°
CARCASCAN121.9°120.6°
CARCASH17119.0°119.8°
CAQCAPOAU122.1°119.9°
CAQCAPCAM121.4°120.1°
CAPCAQH21121.4°119.9°
CASCANCAM118.9°118.8°
CASCANCAO127.5°129.2°
CANCASH17119.0°119.7°
CAVOAUCAP112.2°117.0°
OAUCAVH22109.5°109.5°
OAUCAVH23109.5°109.5°
OAUCAVH24109.5°109.4°
OAUCAPCAM116.5°120.0°
CAPCAMCAN121.5°119.7°
CAPCAMSAL131.1°130.4°
CAMCANCAO113.6°112.0°
CANCAMSAL107.4°109.9°
CANCAOCAK114.1°114.7°
CANCAOH16122.9°122.6°
CAMSALCAK96.3°92.3°
CAOCAKSAL108.6°111.2°
CAOCAKCAI125.4°124.4°
CAKCAOH16122.9°122.7°
SALCAKCAI126.0°124.4°
NAJC6C5118.2°120.8°
NAJC6N1120.1°120.9°
C6NAJH14109.5°120.0°
C6NAJH15109.5°120.0°
CAKCAIC5126.6°126.3°
CAKCAINAH124.5°126.3°
C5C6N1121.6°118.3°
C6C5CAI135.9°135.0°
C6C5C4120.2°118.6°
C6N1C2119.3°121.1°
C5CAINAH108.8°107.4°
CAIC5C4104.0°106.4°
CAINAHNAG109.0°109.9°
C5C4NAG108.2°106.9°
C5C4N3121.2°118.7°
N1C2N3117.8°122.7°
N1C2H13121.1°118.6°
NAHNAGC4110.0°109.4°
NAHNAGCAW131.6°125.3°
NAGC4N3130.6°134.4°
C4NAGCAW118.4°125.3°
C4N3C2119.8°120.7°
NAGCAWCAX114.3°109.4°
NAGCAWH11108.2°109.5°
NAGCAWH12108.3°109.5°
N3C2H13121.1°118.6°
CBHCBFCBE109.4°109.5°
CBFCBHH1109.5°109.4°
CBFCBHH2109.5°109.4°
CBFCBHH3109.5°109.4°
CBHCBFH4109.5°109.5°
CBHCBFH5109.5°109.5°
CAWCAXCAY119.5°119.9°
CAWCAXCBC121.1°119.9°
CAXCAWH11108.2°109.4°
CAXCAWH12108.2°109.5°
CAXCAYCAZ120.4°120.0°
CAYCAXCBC119.4°120.2°
CAXCAYH10119.8°120.0°
CAYCAZCBA120.7°119.9°
CAYCAZH9119.6°120.0°
CAZCAYH10119.8°120.0°
CAXCBCCBB119.9°120.1°
CAXCBCH8120.0°120.0°
CAZCBACBB118.4°119.9°
CAZCBANBD124.8°120.1°
CBACAZH9119.6°120.0°
OBGCBENBD127.5°120.0°
OBGCBECBF119.7°120.0°
CBCCBBCBA121.2°119.9°
CBCCBBH7119.4°120.1°
CBBCBCH8120.0°119.9°
CBBCBANBD116.8°120.1°
CBACBBH7119.4°120.1°
CBANBDCBE125.0°120.0°
CBANBDH6117.5°120.0°
NBDCBECBF112.8°120.0°
CBENBDH6117.5°120.0°
CBECBFH4109.5°109.4°
CBECBFH5109.5°109.5°
H1CBHH2109.4°109.5°
H1CBHH3109.5°109.5°
H2CBHH3109.5°109.5°
H4CBFH5109.5°109.5°
H11CAWH12109.5°109.5°
H14NAJH15109.5°120.0°
H18CATH19109.5°109.4°
H18CATH20109.4°109.5°
H19CATH20109.5°109.4°
H22CAVH23109.5°109.5°
H22CAVH24109.5°109.4°
H23CAVH24109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CATCARCAQCAS179.9°179.8°
CATCARCAQCAP179.8°180.0°
CATCARCASCAN179.8°179.9°
CATCARCASH170.1°0.2°
CARCATH18H19120.0°120.0°
CARCATH18H20120.0°120.1°
CARCATH19H20120.0°120.0°
CATCARCAQH210.2°0.2°
CARCAQCAPH21180.0°179.8°
CAQCARCASCAN0.0°0.1°
CARCAQCAPOAU180.0°180.0°
CARCAQCAPCAM0.1°0.4°
CAQCARCASH17180.0°180.0°
CAQCARCATH1890.1°90.0°
CAQCARCATH19149.9°150.0°
CAQCARCATH2029.9°30.1°
CASCARCAQCAP0.0°0.2°
CARCASCANH17180.0°179.9°
CARCASCANCAM0.1°0.0°
CARCASCANCAO180.0°180.0°
CASCARCATH1890.1°89.8°
CASCARCATH1929.9°30.2°
CASCARCATH20149.9°150.1°
CASCARCAQH21180.0°180.0°
CAQCAPOAUCAV11.4°0.0°
CAQCAPOAUCAM179.9°179.7°
CAQCAPCAMCAN0.1°0.3°
CAQCAPCAMSAL179.9°179.9°
CASCANCAMCAP0.1°0.1°
CASCANCAMCAO179.9°180.0°
CASCANCAMSAL179.9°180.0°
CASCANCAOCAK180.0°179.8°
CASCANCAOH160.0°0.1°
CAVOAUCAPCAM168.7°179.7°
OAUCAVH22H23120.0°120.0°
OAUCAVH22H24120.0°119.9°
OAUCAVH23H24120.0°120.0°
OAUCAPCAMCAN180.0°180.0°
OAUCAPCAMSAL0.0°0.2°
OAUCAPCAQH210.0°0.2°
CAPOAUCAVH22180.0°180.0°
CAPOAUCAVH2360.0°60.0°
CAPOAUCAVH2460.0°60.0°
CAPCAMCANSAL180.0°179.9°
CAPCAMCANCAO180.0°179.9°
CAPCAMSALCAK179.9°180.0°
CAMCAPCAQH21180.0°179.8°
CAMCANCAOCAK0.0°0.1°
CANCAMSALCAK0.1°0.2°
CAMCANCAOH16180.0°179.9°
CAMCANCASH17180.0°179.9°
CAOCANCAMSAL0.0°0.0°
CANCAOCAKH16180.0°180.0°
CANCAOCAKSAL0.1°0.3°
CANCAOCAKCAI179.7°180.0°
CAOCANCASH170.0°0.1°
CAMSALCAKCAO0.1°0.2°
CAMSALCAKCAI179.7°179.9°
CAOCAKSALCAI179.8°179.7°
CAOCAKCAIC568.6°45.4°
CAOCAKCAINAH111.6°134.3°
SALCAKCAIC5111.1°134.9°
SALCAKCAINAH68.6°45.4°
SALCAKCAOH16179.9°179.8°
NAJC6C5N1179.8°179.9°
NAJC6C5CAI0.1°0.1°
NAJC6C5C4179.9°179.9°
NAJC6N1C2180.0°179.9°
C6NAJH14H15120.0°179.9°
CAKCAIC5C60.1°0.0°
CAKCAIC5NAH179.8°179.7°
CAKCAIC5C4179.9°180.0°
CAKCAINAHNAG179.7°179.8°
CAICAKCAOH160.3°0.1°
C6C5CAIC4180.0°180.0°
C6C5CAINAH179.7°179.7°
C5C6N1C20.2°0.1°
C6C5C4NAG180.0°180.0°
C6C5C4N30.1°0.2°
C5C6NAJH14179.7°1.2°
C5C6NAJH1560.2°178.7°
N1C6C5CAI179.8°180.0°
N1C6C5C40.2°0.1°
C6N1C2N30.1°0.2°
C6N1C2H13180.0°179.9°
N1C6NAJH140.0°178.7°
N1C6NAJH15120.0°1.4°
C5CAINAHNAG0.6°0.5°
CAIC5C4NAG0.0°0.0°
CAIC5C4N3180.0°179.8°
NAHCAIC5C40.4°0.3°
CAINAHNAGC40.5°0.5°
CAINAHNAGCAW179.9°179.5°
C5C4NAGNAH0.3°0.3°
C5C4NAGN3179.9°179.7°
C5C4NAGCAW179.8°179.7°
C5C4N3C20.2°0.5°
N1C2N3C40.2°0.5°
N1C2N3H13180.0°179.7°
NAHNAGC4CAW179.5°180.0°
NAHNAGC4N3179.6°180.0°
NAHNAGCAWCAX10.2°90.0°
NAHNAGCAWH11110.5°150.1°
NAHNAGCAWH12130.9°30.0°
NAGC4N3C2179.9°179.8°
C4NAGCAWCAX170.5°90.0°
C4NAGCAWH1168.8°29.9°
C4NAGCAWH1249.8°150.0°
N3C4NAGCAW0.1°0.0°
C4N3C2H13179.8°179.8°
NAGCAWCAXH11120.7°120.0°
NAGCAWCAXH12120.7°120.0°
NAGCAWCAXCAY114.8°90.0°
NAGCAWCAXCBC67.0°90.9°
NAGCAWH11H12117.8°120.0°
CBHCBFCBEOBG146.9°0.0°
CBHCBFCBENBD33.0°180.0°
CBHCBFCBEH4120.0°120.0°
CBHCBFCBEH5120.0°120.0°
CBFCBHH1H2120.0°120.0°
CBFCBHH1H3120.0°120.0°
CBFCBHH2H3120.0°119.9°
CBHCBFH4H5120.0°120.0°
CAWCAXCAYCBC178.2°179.1°
CAWCAXCAYCAZ179.2°180.0°
CAWCAXCBCCBB179.3°179.7°
CAWCAXCBCH80.7°0.3°
CAWCAXCAYH100.8°0.8°
CAXCAWH11H12117.8°120.0°
CAXCAYCAZH10180.0°179.3°
CAXCAYCAZCBA0.5°0.6°
CAYCAXCBCCBB1.1°0.6°
CAYCAXCBCH8178.9°179.5°
CAXCAYCAZH9179.5°179.5°
CAYCAXCAWH11124.5°150.0°
CAYCAXCAWH125.9°30.0°
CAZCAYCAXCBC1.0°0.8°
CAYCAZCBAH9180.0°180.0°
CAYCAZCBACBB0.2°0.0°
CAYCAZCBANBD179.6°179.7°
CAXCBCCBBH8180.0°179.9°
CAXCBCCBBCBA0.8°0.1°
CAXCBCCBBH7179.2°180.0°
CBCCAXCAYH10179.0°179.9°
CBCCAXCAWH1153.7°29.1°
CBCCAXCAWH12172.3°149.2°
CAZCBACBBCBC0.3°0.2°
CAZCBACBBNBD179.5°179.8°
CAZCBANBDCBE0.3°146.1°
CAZCBANBDH6179.7°33.9°
CAZCBACBBH7179.6°179.8°
CBACAZCAYH10179.5°179.8°
OBGCBENBDCBA0.6°4.8°
OBGCBENBDCBF179.9°180.0°
OBGCBECBFH426.9°120.0°
OBGCBECBFH593.1°120.0°
OBGCBENBDH6179.4°175.2°
CBCCBBCBAH7180.0°180.0°
CBCCBBCBANBD179.8°180.0°
CBBCBANBDCBE179.1°34.2°
CBBCBANBDH60.9°145.8°
CBACBBCBCH8179.2°180.0°
CBBCBACAZH9179.9°180.0°
CBANBDCBEH6180.0°180.0°
CBANBDCBECBF179.3°175.3°
NBDCBACBBH70.1°0.0°
NBDCBACAZH90.4°0.2°
NBDCBECBFH4153.0°60.0°
NBDCBECBFH587.0°60.0°
CBECBFCBHH1180.0°60.0°
CBECBFCBHH260.0°60.0°
CBECBFCBHH360.0°180.0°
CBECBFH4H5120.0°120.0°
CBFCBENBDH60.7°4.8°
H1CBHH2H3120.0°120.1°
H1CBHCBFH460.0°60.0°
H1CBHCBFH560.0°180.0°
H2CBHCBFH460.0°180.0°
H2CBHCBFH5NaN°60.0°
H3CBHCBFH4180.0°60.1°
H3CBHCBFH560.0°60.0°
H7CBBCBCH80.8°0.0°
H9CAZCAYH100.4°0.2°
H18CATH19H20120.0°120.0°
H22CAVH23H24120.0°120.0°

222624

PDB entries from 2024-07-17

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