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6HJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CARCAQdoub1.38Å1.40ÅAromatic
CARCALsing1.39Å1.37ÅAromatic
CAZNAMsing1.46Å1.45Å
CAQCAPsing1.39Å1.42ÅAromatic
CALNAMsing1.38Å1.34ÅAromatic
CALCAKdoub1.41Å1.35ÅAromatic
NAMCANsing1.37Å1.32ÅAromatic
CAPCAOdoub1.37Å1.43ÅAromatic
CAKCAOsing1.39Å1.35ÅAromatic
CAKCAJsing1.47Å1.35ÅAromatic
CANCAJdoub1.36Å1.34ÅAromatic
CAJCAIsing1.48Å1.37Å
CAINAHdoub1.31Å1.32ÅAromatic
CAIC5sing1.46Å1.39ÅAromatic
NAYC6sing1.38Å1.33Å
NAHNAGsing1.40Å1.38ÅAromatic
C5C6doub1.40Å1.38ÅAromatic
C5C4sing1.41Å1.37ÅAromatic
C6N1sing1.33Å1.35ÅAromatic
NAGC4sing1.36Å1.32ÅAromatic
NAGCASsing1.47Å1.46Å
CAXCASsing1.53Å1.56Å
CAXNAWsing1.47Å1.47Å
C4N3doub1.33Å1.35ÅAromatic
N1C2doub1.32Å1.40ÅAromatic
CASCATsing1.53Å1.51Å
NAWCAVsing1.47Å1.45Å
NAWCBAsing1.35Å1.35Å
CATCAUsing1.53Å1.52Å
CBBCBAsing1.47Å1.54Å
CBBCBDdoub1.33Å1.52Å
N3C2sing1.31Å1.36ÅAromatic
CAVCAUsing1.53Å1.48Å
CBAOBCdoub1.22Å1.23Å
CBDH1sing1.08Å1.08Å
CBDH2sing1.08Å1.08Å
CBBH4sing1.08Å1.08Å
CAXH6sing1.09Å1.10Å
CAXH7sing1.09Å1.10Å
CAVH8sing1.09Å1.10Å
CAVH9sing1.09Å1.10Å
CAUH10sing1.09Å1.10Å
CAUH11sing1.09Å1.10Å
CATH12sing1.09Å1.10Å
CATH13sing1.09Å1.10Å
CASH14sing1.09Å1.10Å
C2H15sing1.08Å1.08Å
NAYH16sing0.97Å1.00Å
NAYH17sing0.97Å1.00Å
CAOH18sing1.08Å1.08Å
CAPH19sing1.08Å1.08Å
CAQH20sing1.08Å1.08Å
CARH21sing1.08Å1.08Å
CAZH22sing1.09Å1.10Å
CAZH23sing1.09Å1.10Å
CAZH24sing1.09Å1.10Å
CANH25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAQCARCAL119.4°119.8°
CARCAQCAP117.7°120.6°
CARCAQH20121.2°119.7°
CAQCARH21120.3°120.1°
CARCALNAM129.7°133.3°
CARCALCAK123.5°119.3°
CALCARH21120.3°120.1°
CAZNAMCAL125.2°124.9°
CAZNAMCAN125.0°124.9°
NAMCAZH22109.5°109.5°
NAMCAZH23109.5°109.5°
NAMCAZH24109.4°109.5°
CAQCAPCAO119.4°120.5°
CAQCAPH19120.3°119.7°
CAPCAQH20121.1°119.7°
NAMCALCAK106.7°107.4°
CALNAMCAN109.8°110.2°
CALCAKCAO119.8°120.0°
CALCAKCAJ107.5°106.0°
NAMCANCAJ107.5°109.7°
NAMCANH25126.2°125.2°
CAPCAOCAK120.1°119.8°
CAPCAOH18120.0°120.1°
CAOCAPH19120.3°119.8°
CAOCAKCAJ132.7°134.0°
CAKCAOH18119.9°120.1°
CAKCAJCAN108.3°106.7°
CAKCAJCAI127.4°126.6°
CANCAJCAI124.2°126.7°
CAJCANH25126.2°125.1°
CAJCAINAH117.2°126.3°
CAJCAIC5134.4°126.3°
NAHCAIC5108.3°107.4°
CAINAHNAG107.8°109.9°
CAIC5C6138.3°135.0°
CAIC5C4106.3°106.4°
NAYC6C5121.2°120.8°
NAYC6N1116.0°120.8°
C6NAYH16109.5°120.0°
C6NAYH17109.5°120.0°
NAHNAGC4108.9°109.4°
NAHNAGCAS125.4°125.3°
C6C5C4115.3°118.5°
C5C6N1122.7°118.3°
C5C4NAG108.5°106.9°
C5C4N3124.7°118.7°
C6N1C2119.3°121.1°
C4NAGCAS125.5°125.3°
NAGC4N3126.8°134.4°
NAGCASCAX110.8°109.5°
NAGCASCAT114.4°109.2°
NAGCASH14106.9°109.5°
CASCAXNAW105.8°108.8°
CAXCASCAT112.0°109.1°
CASCAXH6110.4°109.6°
CASCAXH7110.4°109.5°
CAXCASH14105.8°109.5°
CAXNAWCAV115.2°118.8°
CAXNAWCBA127.7°120.6°
NAWCAXH6110.4°109.6°
NAWCAXH7110.4°109.6°
C4N3C2118.8°120.6°
N1C2N3119.2°122.7°
N1C2H15120.4°118.7°
CASCATCAU106.1°109.3°
CASCATH12110.3°109.3°
CASCATH13110.3°109.9°
CATCASH14106.4°109.9°
CAVNAWCBA117.1°120.6°
NAWCAVCAU106.9°108.8°
NAWCAVH8110.1°109.6°
NAWCAVH9110.1°109.6°
NAWCBACBB120.5°120.0°
NAWCBAOBC121.1°120.0°
CATCAUCAV107.8°109.3°
CATCAUH10109.9°109.5°
CATCAUH11109.9°109.6°
CAUCATH12110.3°109.4°
CAUCATH13110.3°109.4°
CBACBBCBD104.6°120.0°
CBBCBAOBC118.3°120.0°
CBACBBH4127.7°120.0°
CBBCBDH1120.0°120.0°
CBBCBDH2120.0°119.9°
CBDCBBH4127.7°120.1°
N3C2H15120.4°118.6°
CAUCAVH8110.1°109.6°
CAUCAVH9110.1°109.6°
CAVCAUH10109.9°109.5°
CAVCAUH11109.9°109.5°
H1CBDH2120.0°120.1°
H6CAXH7109.4°109.7°
H8CAVH9109.5°109.6°
H10CAUH11109.5°109.5°
H12CATH13109.5°109.5°
H16NAYH17109.4°120.0°
H22CAZH23109.5°109.4°
H22CAZH24109.5°109.5°
H23CAZH24109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAQCARCALH21180.0°180.0°
CARCAQCAPH20180.0°179.9°
CAQCARCALNAM178.7°179.9°
CAQCARCALCAK0.4°0.1°
CARCAQCAPCAO0.2°0.0°
CARCAQCAPH19179.8°179.9°
CARCALNAMCAZ1.8°0.1°
CALCARCAQCAP0.2°0.1°
CARCALNAMCAK179.3°179.9°
CARCALNAMCAN180.0°179.8°
CARCALCAKCAO1.1°0.1°
CARCALCAKCAJ177.8°180.0°
CALCARCAQH20179.8°180.0°
CAZNAMCALCAN178.2°179.9°
CAZNAMCALCAK179.0°179.9°
CAZNAMCANCAJ176.5°179.8°
NAMCAZH22H23120.0°120.0°
NAMCAZH22H24120.0°120.0°
NAMCAZH23H24120.0°120.1°
CAZNAMCANH253.4°0.2°
CAQCAPCAOH19180.0°180.0°
CAQCAPCAOCAK0.4°0.0°
CAQCAPCAOH18179.6°179.9°
CAPCAQCARH21179.8°180.0°
NAMCALCAKCAO178.2°179.9°
NAMCALCAKCAJ2.9°0.0°
CALNAMCANCAJ1.7°0.4°
NAMCALCARH211.3°0.0°
CALNAMCAZH22180.0°90.1°
CALNAMCAZH2360.0°150.0°
CALNAMCAZH2460.0°29.9°
CALNAMCANH25178.3°180.0°
CAKCALNAMCAN0.8°0.3°
CALCAKCAOCAP1.0°0.1°
CALCAKCAOCAJ178.6°179.8°
CALCAKCAJCAN3.9°0.2°
CALCAKCAJCAI178.6°180.0°
CALCAKCAOH18179.0°180.0°
CAKCALCARH21179.5°179.9°
NAMCANCAJCAK3.5°0.3°
NAMCANCAJH25180.0°179.6°
NAMCANCAJCAI178.3°179.8°
CANNAMCAZH222.0°89.8°
CANNAMCAZH23118.0°30.2°
CANNAMCAZH24122.1°150.2°
CAPCAOCAKH18180.0°179.9°
CAPCAOCAKCAJ177.6°179.9°
CAOCAPCAQH20179.8°180.0°
CAOCAKCAJCAN177.3°179.7°
CAOCAKCAJCAI2.7°0.2°
CAKCAOCAPH19179.6°180.0°
CAKCAJCANCAI174.9°179.8°
CAKCAJCAINAH122.0°50.1°
CAKCAJCAIC560.8°129.8°
CAJCAKCAOH182.4°0.2°
CAKCAJCANH25176.6°179.9°
CANCAJCAINAH51.8°129.7°
CANCAJCAIC5125.3°50.4°
CAJCAINAHC5177.9°179.9°
CAJCAINAHNAG178.5°180.0°
CAJCAIC5C62.3°0.2°
CAJCAIC5C4179.7°179.9°
CAICAJCANH251.7°0.2°
NAHCAIC5C6179.6°179.9°
NAHCAIC5C43.0°0.0°
CAINAHNAGC43.0°0.2°
CAINAHNAGCAS178.9°179.7°
CAIC5C6NAY5.4°0.0°
C5CAINAHNAG3.7°0.1°
CAIC5C6C4177.2°179.9°
CAIC5C6N1177.1°180.0°
CAIC5C4NAG1.1°0.2°
CAIC5C4N3177.5°180.0°
NAYC6C5N1177.5°180.0°
NAYC6C5C4177.3°180.0°
NAYC6N1C2177.9°180.0°
C6NAYH16H17120.0°180.0°
NAHNAGC4C51.1°0.2°
NAHNAGC4CAS175.9°179.9°
NAHNAGCASCAX24.7°59.9°
NAHNAGC4N3179.6°180.0°
NAHNAGCASCAT103.0°59.5°
NAHNAGCASH14139.5°180.0°
C6C5C4NAG179.2°179.8°
C6C5C4N30.6°0.1°
C5C6N1C20.3°0.0°
C5C6NAYH16177.7°5.3°
C5C6NAYH1762.3°174.8°
C4C5C6N10.1°0.0°
C5C4NAGN3178.5°179.8°
C5C4NAGCAS177.0°179.7°
C5C4N3C20.6°0.1°
C6N1C2N30.3°0.0°
C6N1C2H15179.6°180.0°
N1C6NAYH160.0°174.8°
N1C6NAYH17120.0°5.2°
C4NAGCASCAX150.6°119.9°
C4NAGCASCAT81.7°120.6°
NAGC4N3C2178.9°179.7°
C4NAGCASH1435.8°0.2°
NAGCASCAXCAT129.0°119.5°
NAGCASCAXH14115.5°120.1°
NAGCASCAXNAW177.1°174.6°
CASNAGC4N34.4°0.2°
NAGCASCATH14117.7°120.2°
NAGCASCATCAU173.1°178.4°
NAGCASCAXH657.7°54.8°
NAGCASCAXH763.4°65.6°
NAGCASCATH1267.4°58.7°
NAGCASCATH1353.6°61.5°
CASCAXNAWH6119.5°119.8°
CASCAXNAWH7119.4°119.8°
CAXCASCATH14115.2°120.1°
CASCAXNAWCAV56.3°53.6°
CASCAXNAWCBA125.6°126.2°
CAXCASCATCAU59.8°61.9°
CASCAXH6H7121.7°120.3°
CAXCASCATH1259.7°178.4°
CAXCASCATH13179.3°58.2°
NAWCAXCASCAT53.8°55.1°
CAXNAWCAVCBA178.3°179.8°
CAXNAWCBACBB2.4°5.6°
CAXNAWCAVCAU64.4°53.3°
CAXNAWCBAOBC178.4°174.3°
NAWCAXH6H7121.7°120.4°
CAXNAWCAVH8176.0°173.2°
CAXNAWCAVH955.2°66.5°
NAWCAXCASH1461.7°65.3°
C4N3C2N10.1°0.1°
C4N3C2H15179.9°180.0°
N1C2N3H15180.0°179.9°
CASCATCAUH12119.5°119.6°
CASCATCAUH13119.5°120.4°
CASCATCAUCAV65.2°61.7°
CATCASCAXH6173.3°64.7°
CATCASCAXH765.6°174.9°
CASCATCAUH10175.1°58.2°
CASCATCAUH1154.6°178.3°
CASCATH12H13121.5°120.4°
NAWCAVCAUCAT66.1°54.6°
CAVNAWCBACBB175.7°174.6°
NAWCAVCAUH8119.6°119.9°
NAWCAVCAUH9119.6°119.8°
CAVNAWCBAOBC0.3°5.4°
CAVNAWCAXH6175.7°66.2°
CAVNAWCAXH763.2°173.4°
NAWCAVH8H9121.2°120.3°
NAWCAVCAUH10174.1°65.3°
NAWCAVCAUH1153.6°174.6°
NAWCBACBBOBC176.1°179.9°
NAWCBACBBCBD154.3°174.8°
CBANAWCAVCAU117.3°126.5°
NAWCBACBBH425.6°5.2°
CBANAWCAXH66.2°114.1°
CBANAWCAXH7114.9°6.4°
CBANAWCAVH82.3°6.6°
CBANAWCAVH9123.1°113.7°
CATCAUCAVH10119.7°119.9°
CATCAUCAVH11119.7°120.0°
CATCAUCAVH8174.3°174.5°
CATCAUCAVH953.5°65.2°
CATCAUH10H11120.8°120.1°
CAUCATH12H13121.6°120.0°
CAUCATCASH1455.4°58.2°
CBACBBCBDH4180.0°180.0°
CBACBBCBDH10.0°0.0°
CBACBBCBDH2180.0°180.0°
CBDCBBCBAOBC29.6°5.2°
CBBCBDH1H2180.0°180.0°
CAUCAVH8H9121.1°120.3°
CAVCAUH10H11120.8°120.1°
CAVCAUCATH1254.3°178.7°
CAVCAUCATH13175.4°58.7°
OBCCBACBBH4150.5°174.8°
H1CBDCBBH4180.0°180.0°
H2CBDCBBH40.0°0.0°
H6CAXCASH1457.8°174.9°
H7CAXCASH14178.9°54.5°
H8CAVCAUH1054.5°54.5°
H8CAVCAUH1166.0°65.5°
H9CAVCAUH1066.3°174.9°
H9CAVCAUH11173.2°54.8°
H10CAUCATH1265.4°61.4°
H10CAUCATH1355.6°178.6°
H11CAUCATH12174.1°58.7°
H11CAUCATH1364.9°61.3°
H12CATCASH14174.8°61.5°
H13CATCASH1464.1°178.3°
H18CAOCAPH190.4°0.0°
H19CAPCAQH200.2°0.0°
H20CAQCARH210.2°0.0°
H22CAZH23H24120.0°120.0°

223532

PDB entries from 2024-08-07

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