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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NACCAYsing1.39Å1.35Å
CAYCAXdoub1.38Å1.39ÅAromatic
CAYCAZsing1.40Å1.40ÅAromatic
CAXC4sing1.40Å1.41ÅAromatic
CAZCBAdoub1.36Å1.43ÅAromatic
CAOCAPsing1.53Å1.46Å
CAOOBFsing1.43Å1.42Å
C4N3doub1.34Å1.36ÅAromatic
C4C5sing1.42Å1.40ÅAromatic
N3C2sing1.32Å1.34ÅAromatic
CAQCARdoub1.38Å1.39ÅAromatic
CAQCAUsing1.40Å1.40ÅAromatic
CARCASsing1.39Å1.42ÅAromatic
CAPNAAsing1.47Å1.48Å
OBFCANsing1.43Å1.45Å
CBAC5sing1.40Å1.40ÅAromatic
C5C6doub1.42Å1.38ÅAromatic
C2CAUsing1.48Å1.40Å
C2N1doub1.33Å1.32ÅAromatic
CAUCAFdoub1.40Å1.39ÅAromatic
CASNAAsing1.39Å1.37Å
CASCATdoub1.39Å1.42ÅAromatic
NAACAMsing1.47Å1.46Å
CANCAMsing1.53Å1.48Å
N1C6sing1.33Å1.34ÅAromatic
C6NABsing1.38Å1.32Å
CAFCATsing1.38Å1.38ÅAromatic
NABCAWsing1.46Å1.42Å
CAWCAVsing1.53Å1.41Å
CAVCALsing1.51Å1.45Å
CALCAKdoub1.38Å1.38ÅAromatic
CALCAGsing1.38Å1.39ÅAromatic
CAKCAJsing1.38Å1.40ÅAromatic
CAGCAHdoub1.38Å1.40ÅAromatic
CAJCAIdoub1.38Å1.39ÅAromatic
CAHCAIsing1.38Å1.39ÅAromatic
CAMH1sing1.09Å1.10Å
CAMH2sing1.09Å1.10Å
CANH3sing1.09Å1.10Å
CANH4sing1.09Å1.10Å
CAOH5sing1.09Å1.10Å
CAOH6sing1.09Å1.10Å
CAPH7sing1.09Å1.10Å
CAPH8sing1.09Å1.10Å
CATH9sing1.08Å1.08Å
CAFH10sing1.08Å1.08Å
CARH11sing1.08Å1.08Å
CAQH12sing1.08Å1.08Å
CAXH13sing1.08Å1.08Å
NACH14sing0.97Å1.00Å
NACH15sing0.97Å1.00Å
CAZH16sing1.08Å1.08Å
CBAH17sing1.08Å1.08Å
NABH18sing0.97Å1.00Å
CAWH19sing1.09Å1.10Å
CAWH20sing1.09Å1.10Å
CAVH21sing1.09Å1.10Å
CAVH22sing1.09Å1.10Å
CAGH23sing1.08Å1.08Å
CAHH24sing1.08Å1.08Å
CAIH25sing1.08Å1.08Å
CAJH26sing1.08Å1.08Å
CAKH27sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NACCAYCAX119.6°119.7°
NACCAYCAZ121.0°119.6°
CAYNACH14109.5°120.0°
CAYNACH15109.4°120.0°
CAXCAYCAZ119.3°120.7°
CAYCAXC4122.2°119.5°
CAYCAXH13118.9°120.3°
CAYCAZCBA118.8°120.8°
CAYCAZH16120.6°119.6°
CAXC4N3121.2°121.8°
CAXC4C5118.7°119.3°
C4CAXH13118.9°120.3°
CAZCBAC5120.9°119.8°
CBACAZH16120.6°119.6°
CAZCBAH17119.6°120.1°
CAPCAOOBF103.4°109.2°
CAOCAPNAA108.6°109.3°
CAPCAOH5111.0°109.5°
CAPCAOH6111.0°109.5°
CAOCAPH7109.7°109.5°
CAOCAPH8109.7°109.5°
CAOOBFCAN108.4°113.8°
OBFCAOH5111.0°109.6°
OBFCAOH6111.0°109.5°
N3C4C5120.1°118.9°
C4N3C2123.8°120.4°
C4C5CBA119.7°119.9°
C4C5C6114.4°118.3°
N3C2CAU124.5°118.6°
N3C2N1115.5°122.8°
CARCAQCAU123.0°120.0°
CAQCARCAS121.2°120.0°
CAQCARH11119.4°120.0°
CARCAQH12118.5°120.0°
CAQCAUC2123.5°120.0°
CAQCAUCAF115.4°119.9°
CAUCAQH12118.5°120.0°
CARCASNAA122.4°119.9°
CARCASCAT115.3°120.1°
CASCARH11119.4°120.0°
CAPNAACAS124.9°111.0°
CAPNAACAM109.2°110.7°
NAACAPH7109.7°109.5°
NAACAPH8109.7°109.5°
OBFCANCAM103.6°109.2°
OBFCANH3110.9°109.5°
OBFCANH4110.9°109.5°
CBAC5C6125.9°121.8°
C5CBAH17119.5°120.1°
C5C6N1121.9°118.4°
C5C6NAB118.8°120.8°
CAUC2N1119.6°118.6°
C2CAUCAF120.8°120.1°
C2N1C6124.1°121.4°
CAUCAFCAT123.0°119.9°
CAUCAFH10118.5°120.0°
NAACASCAT122.3°120.0°
CASNAACAM125.6°111.0°
CASCATCAF122.1°120.1°
CASCATH9119.0°119.9°
NAACAMCAN109.1°109.3°
NAACAMH1109.6°109.5°
NAACAMH2109.6°109.5°
CANCAMH1109.6°109.5°
CANCAMH2109.6°109.5°
CAMCANH3110.9°109.5°
CAMCANH4110.9°109.5°
N1C6NAB119.2°120.8°
C6NABCAW118.2°120.0°
C6NABH18107.2°120.0°
CAFCATH9119.0°119.9°
CATCAFH10118.5°120.1°
NABCAWCAV105.8°109.5°
CAWNABH18107.2°120.0°
NABCAWH19110.4°109.5°
NABCAWH20110.4°109.5°
CAWCAVCAL107.4°109.5°
CAVCAWH19110.3°109.5°
CAVCAWH20110.4°109.5°
CAWCAVH21110.0°109.4°
CAWCAVH22110.0°109.5°
CAVCALCAK126.2°120.0°
CAVCALCAG117.3°120.0°
CALCAVH21110.0°109.4°
CALCAVH22110.0°109.5°
CAKCALCAG116.5°120.0°
CALCAKCAJ120.5°120.0°
CALCAKH27119.7°120.0°
CALCAGCAH123.7°120.0°
CALCAGH23118.2°120.0°
CAKCAJCAI122.5°120.0°
CAKCAJH26118.7°120.0°
CAJCAKH27119.7°120.0°
CAGCAHCAI118.8°120.0°
CAHCAGH23118.2°120.0°
CAGCAHH24120.6°120.1°
CAJCAICAH118.0°120.0°
CAJCAIH25121.0°120.0°
CAICAJH26118.7°120.0°
CAICAHH24120.6°120.0°
CAHCAIH25121.0°120.0°
H1CAMH2109.5°109.6°
H3CANH4109.5°109.5°
H5CAOH6109.5°109.5°
H7CAPH8109.5°109.6°
H14NACH15109.5°119.9°
H19CAWH20109.5°109.4°
H21CAVH22109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NACCAYCAXCAZ178.4°179.9°
NACCAYCAXC4179.1°180.0°
NACCAYCAZCBA177.0°179.8°
NACCAYCAXH130.9°0.1°
CAYNACH14H15120.0°180.0°
NACCAYCAZH163.1°0.1°
CAYCAXC4H13180.0°179.9°
CAXCAYCAZCBA4.7°0.2°
CAYCAXC4N3178.6°180.0°
CAYCAXC4C51.0°0.3°
CAXCAYNACH14180.0°0.1°
CAXCAYNACH1560.0°180.0°
CAXCAYCAZH16175.3°180.0°
CAZCAYCAXC40.7°0.1°
CAYCAZCBAH16180.0°179.8°
CAYCAZCBAC57.1°0.2°
CAZCAYCAXH13179.3°180.0°
CAZCAYNACH141.6°180.0°
CAZCAYNACH15121.6°0.0°
CAYCAZCBAH17172.9°180.0°
CAXC4N3C5179.6°179.8°
CAXC4N3C2179.9°179.7°
CAXC4C5CBA1.4°0.2°
CAXC4C5C6179.9°179.7°
CAZCBAC5C45.5°0.0°
CAZCBAC5H17180.0°179.8°
CAZCBAC5C6176.0°179.9°
CAPCAOOBFH5119.0°120.0°
CAPCAOOBFH6119.0°119.9°
CAOCAPNAAH7119.9°119.9°
CAOCAPNAAH8119.9°120.0°
CAPCAOOBFCAN73.6°58.7°
CAOCAPNAACAS114.2°177.6°
CAOCAPNAACAM59.4°58.6°
CAPCAOH5H6122.8°120.1°
CAOCAPH7H8120.4°120.1°
OBFCAOCAPNAA65.1°56.8°
CAOOBFCANCAM72.0°58.7°
CAOOBFCANH3169.0°178.6°
CAOOBFCANH447.1°61.3°
OBFCAOH5H6122.8°120.1°
OBFCAOCAPH7175.0°63.1°
OBFCAOCAPH854.8°176.7°
N3C4C5CBA179.0°180.0°
N3C4C5C60.3°0.1°
C4N3C2CAU175.0°180.0°
C4N3C2N11.5°0.0°
N3C4CAXH131.4°0.0°
C5C4N3C20.3°0.0°
C4C5CBAC6178.5°179.9°
C4C5C6N11.5°0.1°
C4C5C6NAB178.9°180.0°
C5C4CAXH13179.0°179.8°
C4C5CBAH17174.5°179.8°
N3C2CAUCAQ13.6°0.0°
N3C2CAUN1173.3°179.9°
N3C2CAUCAF159.9°179.8°
N3C2N1C63.4°0.0°
CARCAQCAUH12180.0°180.0°
CAQCARCASH11180.0°180.0°
CARCAQCAUC2178.1°180.0°
CARCAQCAUCAF4.4°0.3°
CAQCARCASNAA177.9°179.9°
CAQCARCASCAT0.2°0.3°
CAUCAQCARCAS2.6°0.0°
CAQCAUC2CAF173.4°179.8°
CAQCAUC2N1173.2°180.0°
CAQCAUCAFCAT3.5°0.2°
CAQCAUCAFH10176.5°179.7°
CAUCAQCARH11177.4°180.0°
CARCASNAACAP10.2°0.2°
CARCASNAACAT177.6°179.8°
CARCASNAACAM162.3°123.4°
CARCASCATCAF1.1°0.3°
CARCASCATH9178.9°179.8°
CASCARCAQH12177.4°180.0°
CAPNAACASCAM172.6°123.6°
CAPNAACASCAT172.2°180.0°
CAPNAACAMCAN58.0°58.6°
CAPNAACAMH1178.0°178.5°
CAPNAACAMH261.9°61.3°
NAACAPCAOH5175.8°176.8°
NAACAPCAOH653.9°63.1°
NAACAPH7H8120.4°120.1°
OBFCANCAMNAA62.1°56.8°
OBFCANCAMH3119.0°119.9°
OBFCANCAMH4119.1°120.0°
OBFCANCAMH1177.9°176.7°
OBFCANCAMH257.8°63.1°
OBFCANH3H4122.7°120.1°
CANOBFCAOH5167.4°178.7°
CANOBFCAOH645.5°61.2°
CBAC5C6N1177.1°180.0°
CBAC5C6NAB0.3°0.1°
C5CBACAZH16172.9°180.0°
C5C6N1C23.5°0.0°
C5C6N1NAB177.4°180.0°
C5C6NABCAW125.5°180.0°
C6C5CBAH174.0°0.3°
C5C6NABH18113.2°0.0°
CAUC2N1C6177.2°180.0°
C2CAUCAFCAT177.4°180.0°
C2CAUCAFH102.6°0.0°
C2CAUCAQH121.9°0.0°
N1C2CAUCAF13.4°0.2°
C2N1C6NAB179.1°180.0°
CAUCAFCATCAS0.9°0.1°
CAUCAFCATH10180.0°180.0°
CAUCAFCATH9179.1°180.0°
CAFCAUCAQH12175.7°179.8°
CASNAACAMCAN115.5°177.6°
NAACASCATCAF178.8°179.9°
CASNAACAMH14.4°57.7°
CASNAACAMH2124.5°62.4°
CASNAACAPH75.6°62.4°
CASNAACAPH8125.9°57.7°
NAACASCATH91.2°0.0°
NAACASCARH112.1°0.1°
CATCASNAACAM15.2°56.4°
CASCATCAFH9180.0°179.9°
CASCATCAFH10179.1°180.0°
CATCASCARH11179.8°179.7°
NAACAMCANH1120.0°119.9°
NAACAMCANH2119.9°119.9°
NAACAMH1H2120.2°120.1°
NAACAMCANH3178.8°176.8°
NAACAMCANH456.9°63.1°
CAMNAACAPH7179.2°61.4°
CAMNAACAPH860.5°178.5°
CANCAMH1H2120.1°120.1°
CAMCANH3H4122.7°120.1°
N1C6NABCAW57.0°0.0°
N1C6NABH1864.3°180.0°
C6NABCAWH18121.2°180.0°
C6NABCAWCAV119.2°180.0°
C6NABCAWH19121.4°60.0°
C6NABCAWH200.3°59.9°
NABCAWCAVH19119.4°120.0°
NABCAWCAVH20119.4°120.1°
NABCAWCAVCAL179.5°180.0°
NABCAWH19H20121.7°120.0°
NABCAWCAVH2160.9°60.1°
NABCAWCAVH2259.8°60.0°
CAWCAVCALH21119.7°119.9°
CAWCAVCALH22119.7°120.0°
CAWCAVCALCAK9.6°90.0°
CAWCAVCALCAG170.8°89.7°
CAVCAWNABH182.1°0.0°
CAVCAWH19H20121.7°120.0°
CAWCAVH21H22121.0°120.0°
CAVCALCAKCAG179.6°179.8°
CAVCALCAKCAJ178.6°179.7°
CAVCALCAGCAH179.4°180.0°
CALCAVCAWH1960.0°60.0°
CALCAVCAWH2061.1°60.0°
CALCAVH21H22121.0°120.0°
CAVCALCAGH230.5°0.0°
CAVCALCAKH271.4°0.0°
CALCAKCAJH27180.0°179.7°
CAKCALCAGCAH0.2°0.3°
CALCAKCAJCAI2.8°0.5°
CAKCALCAVH21129.2°29.9°
CAKCALCAVH22110.1°150.0°
CAKCALCAGH23179.8°179.8°
CALCAKCAJH26177.2°179.7°
CAGCALCAKCAJ1.8°0.5°
CALCAGCAHH23180.0°179.9°
CALCAGCAHCAI1.3°0.0°
CAGCALCAVH2151.1°150.3°
CAGCALCAVH2269.5°30.3°
CALCAGCAHH24178.7°179.9°
CAGCALCAKH27178.2°179.7°
CAKCAJCAIH26180.0°179.7°
CAKCAJCAICAH1.7°0.3°
CAKCAJCAIH25178.3°179.8°
CAGCAHCAICAJ0.3°0.1°
CAGCAHCAIH24180.0°180.0°
CAGCAHCAIH25179.7°179.9°
CAJCAICAHH25180.0°179.9°
CAJCAICAHH24179.7°179.9°
CAICAJCAKH27177.2°179.7°
CAICAHCAGH23178.7°180.0°
CAHCAICAJH26178.3°180.0°
H1CAMCANH358.8°63.3°
H1CAMCANH463.1°56.8°
H2CAMCANH361.2°56.8°
H2CAMCANH4176.9°176.9°
H5CAOCAPH756.0°56.9°
H5CAOCAPH864.3°63.2°
H6CAOCAPH766.0°177.0°
H6CAOCAPH8173.8°56.8°
H9CATCAFH100.9°0.1°
H11CARCAQH122.6°0.0°
H16CAZCBAH177.1°0.2°
H18NABCAWH19117.3°120.0°
H18NABCAWH20121.5°120.0°
H19CAWCAVH21179.7°179.9°
H19CAWCAVH2259.6°60.0°
H20CAWCAVH2158.5°60.0°
H20CAWCAVH22179.2°179.9°
H23CAGCAHH241.3°0.0°
H24CAHCAIH250.3°0.0°
H25CAICAJH261.7°0.1°
H26CAJCAKH272.8°0.0°

222415

PDB entries from 2024-07-10

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