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912

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CASCATsing1.53Å1.45Å
CASCARsing1.53Å1.47Å
CATCAUsing1.53Å1.48Å
CAUCAWsing1.53Å1.50Å
CAUOAVsing1.43Å1.40Å
CAUCAXsing1.53Å1.54Å
CAXCAYsing1.53Å1.57Å
CAYCARsing1.53Å1.44Å
CARNAQsing1.46Å1.44Å
NAQCAPsing1.35Å1.29Å
CAPOAZdoub1.22Å1.19Å
CAPCAOsing1.48Å1.40Å
CAOCBAdoub1.39Å1.38ÅAromatic
CAOCANsing1.40Å1.37ÅAromatic
CBACAKsing1.39Å1.39ÅAromatic
CANCAMdoub1.38Å1.34ÅAromatic
CAMCALsing1.38Å1.36ÅAromatic
CALCAKdoub1.40Å1.34ÅAromatic
CAKNAJsing1.37Å1.30Å
NAJCAIdoub1.31Å1.29Å
CAISBBsing1.77Å1.68Å
CAINAHsing1.36Å1.29Å
SBBCAFsing1.82Å1.69Å
NAHCAGsing1.45Å1.33Å
CAGCAFsing1.53Å1.33Å
CAFCAEsing1.51Å1.39Å
CAEOBCdoub1.21Å1.18Å
CAENADsing1.35Å1.33Å
NADCACsing1.40Å1.36Å
CACCABdoub1.39Å1.39ÅAromatic
CACCBDsing1.39Å1.39ÅAromatic
CABCLAsing1.74Å1.70Å
CABCBHsing1.38Å1.38ÅAromatic
CBHCBGdoub1.38Å1.38ÅAromatic
CBGCBFsing1.38Å1.38ÅAromatic
CBFCBDdoub1.38Å1.38ÅAromatic
CBDCBEsing1.51Å1.40Å
CASH1sing1.09Å1.10Å
CASH2sing1.09Å1.10Å
CATH3sing1.09Å1.10Å
CATH4sing1.09Å1.10Å
CAWH5sing1.09Å1.10Å
CAWH6sing1.09Å1.10Å
CAWH7sing1.09Å1.10Å
OAVH8sing0.97Å0.95Å
CAXH9sing1.09Å1.10Å
CAXH10sing1.09Å1.10Å
CAYH11sing1.09Å1.10Å
CAYH12sing1.09Å1.10Å
CARH13sing1.09Å1.10Å
NAQH14sing0.97Å1.00Å
CBAH15sing1.08Å1.08Å
CANH16sing1.08Å1.08Å
CAMH17sing1.08Å1.08Å
CALH18sing1.08Å1.08Å
NAHH19sing0.97Å1.00Å
CAGH20sing1.09Å1.10Å
CAFH21sing1.09Å1.10Å
NADH22sing0.97Å1.00Å
CBHH23sing1.08Å1.08Å
CBGH24sing1.08Å1.08Å
CBFH25sing1.08Å1.08Å
CBEH26sing1.09Å1.10Å
CBEH27sing1.09Å1.10Å
CBEH28sing1.09Å1.10Å
CAGH29sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CATCASCAR99.5°109.5°
CASCATCAU107.2°109.5°
CATCASH1111.9°109.4°
CATCASH2111.9°109.5°
CASCATH3110.0°109.4°
CASCATH4110.0°109.5°
CASCARCAY108.8°109.5°
CASCARNAQ106.2°109.5°
CARCASH1111.9°109.5°
CARCASH2111.9°109.5°
CASCARH13106.3°109.5°
CATCAUCAW109.4°109.4°
CATCAUOAV101.6°109.5°
CATCAUCAX114.5°109.5°
CAUCATH3110.0°109.5°
CAUCATH4110.1°109.5°
CAWCAUOAV112.2°109.5°
CAWCAUCAX104.8°109.4°
CAUCAWH5109.5°109.5°
CAUCAWH6109.4°109.4°
CAUCAWH7109.4°109.5°
OAVCAUCAX114.6°109.5°
CAUOAVH8109.5°114.0°
CAUCAXCAY114.0°109.5°
CAUCAXH9108.3°109.4°
CAUCAXH10108.3°109.4°
CAXCAYCAR101.5°109.5°
CAYCAXH9108.3°109.5°
CAYCAXH10108.3°109.5°
CAXCAYH11111.4°109.5°
CAXCAYH12111.4°109.5°
CAYCARNAQ121.2°109.5°
CARCAYH11111.4°109.4°
CARCAYH12111.4°109.5°
CAYCARH13106.7°109.5°
CARNAQCAP137.8°120.0°
NAQCARH13106.7°109.4°
CARNAQH14111.1°120.0°
NAQCAPOAZ123.2°120.0°
NAQCAPCAO112.1°120.0°
CAPNAQH14111.1°120.0°
OAZCAPCAO124.6°120.0°
CAPCAOCBA123.6°120.1°
CAPCAOCAN118.9°120.1°
CBACAOCAN117.5°119.8°
CAOCBACAK120.9°119.7°
CAOCBAH15119.5°120.1°
CAOCANCAM123.0°120.2°
CAOCANH16118.5°119.9°
CBACAKCAL117.0°119.9°
CBACAKNAJ127.9°120.1°
CAKCBAH15119.6°120.2°
CANCAMCAL116.9°120.3°
CAMCANH16118.5°119.9°
CANCAMH17121.6°119.9°
CAMCALCAK124.7°120.1°
CALCAMH17121.5°119.8°
CAMCALH18117.6°120.0°
CALCAKNAJ115.1°120.1°
CAKCALH18117.6°119.9°
CAKNAJCAI124.6°120.0°
NAJCAISBB129.4°125.4°
NAJCAINAH122.5°125.3°
SBBCAINAH108.1°109.3°
CAISBBCAF95.1°96.2°
CAINAHCAG114.7°118.2°
CAINAHH19122.7°120.9°
SBBCAFCAG104.5°104.3°
SBBCAFCAE122.5°110.4°
SBBCAFH2190.5°110.5°
NAHCAGCAF117.6°112.0°
CAGNAHH19122.7°120.9°
NAHCAGH20107.4°109.0°
NAHCAGH29107.4°109.0°
CAGCAFCAE133.0°110.3°
CAFCAGH20107.4°108.9°
CAGCAFH2190.7°110.6°
CAFCAGH29107.4°109.1°
CAFCAEOBC117.9°120.0°
CAFCAENAD120.7°120.0°
CAECAFH2190.7°110.5°
OBCCAENAD121.4°120.0°
CAENADCAC122.9°120.0°
CAENADH22118.6°120.0°
NADCACCAB121.0°120.1°
NADCACCBD119.8°120.1°
CACNADH22118.5°120.0°
CABCACCBD119.1°119.8°
CACCABCLA121.7°120.0°
CACCABCBH120.9°119.9°
CACCBDCBF119.1°120.0°
CACCBDCBE122.5°120.0°
CLACABCBH117.4°120.1°
CABCBHCBG119.9°120.1°
CABCBHH23120.1°120.0°
CBHCBGCBF119.0°120.2°
CBGCBHH23120.1°119.9°
CBHCBGH24120.5°119.9°
CBGCBFCBD121.9°120.1°
CBFCBGH24120.5°119.9°
CBGCBFH25119.0°119.9°
CBFCBDCBE118.4°120.0°
CBDCBFH25119.0°120.0°
CBDCBEH26109.5°109.5°
CBDCBEH27109.5°109.5°
CBDCBEH28109.5°109.5°
H1CASH2109.5°109.5°
H3CATH4109.5°109.5°
H5CAWH6109.5°109.4°
H5CAWH7109.5°109.5°
H6CAWH7109.5°109.5°
H9CAXH10109.5°109.5°
H11CAYH12109.5°109.4°
H20CAGH29109.5°108.8°
H26CBEH27109.5°109.4°
H26CBEH28109.4°109.5°
H27CBEH28109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CATCASCARH1118.3°120.0°
CATCASCARH2118.4°120.0°
CASCATCAUH3119.6°120.0°
CASCATCAUH4119.6°120.0°
CASCATCAUCAW67.7°60.0°
CASCATCAUOAV173.5°180.0°
CASCATCAUCAX49.4°60.0°
CATCASCARCAY89.0°60.0°
CATCASCARNAQ139.0°180.0°
CATCASH1H2124.6°120.0°
CASCATH3H4121.0°120.0°
CATCASCARH1325.6°60.0°
CARCASCATCAU69.9°60.0°
CASCARCAYCAX71.3°60.1°
CASCARCAYNAQ123.4°120.0°
CASCARCAYH13114.4°120.0°
CASCARNAQH13113.2°120.0°
CASCARNAQCAP80.4°155.0°
CARCASH1H2124.6°120.0°
CARCASCATH349.7°60.0°
CARCASCATH4170.4°180.0°
CASCARCAYH11170.0°180.0°
CASCARCAYH1247.4°60.0°
CASCARNAQH1499.6°25.0°
CATCAUCAWOAV112.0°120.0°
CATCAUCAWCAX123.1°120.0°
CATCAUOAVCAX124.0°120.0°
CATCAUCAXCAY35.9°60.0°
CAUCATCASH148.4°60.0°
CAUCATCASH2171.7°180.0°
CAUCATH3H4121.1°120.0°
CATCAUCAWH5180.0°60.0°
CATCAUCAWH660.0°180.0°
CATCAUCAWH760.0°60.0°
CATCAUOAVH8180.0°180.0°
CATCAUCAXH984.7°60.1°
CATCAUCAXH10156.6°180.0°
CAWCAUOAVCAX119.3°120.0°
CAWCAUCAXCAY83.8°60.0°
CAWCAUCATH3172.6°180.0°
CAWCAUCATH451.9°60.0°
CAUCAWH5H6120.0°120.0°
CAUCAWH5H7120.0°120.0°
CAUCAWH6H7119.9°120.0°
CAWCAUOAVH863.3°60.1°
CAWCAUCAXH9155.5°180.0°
CAWCAUCAXH1036.8°60.0°
OAVCAUCAXCAY152.8°180.0°
OAVCAUCATH353.9°60.1°
OAVCAUCATH466.9°60.0°
OAVCAUCAWH568.0°180.0°
OAVCAUCAWH652.0°60.0°
OAVCAUCAWH7171.9°60.0°
OAVCAUCAXH932.1°60.0°
OAVCAUCAXH1086.6°60.0°
CAUCAXCAYH9120.7°120.0°
CAUCAXCAYH10120.7°119.9°
CAUCAXCAYCAR43.3°60.0°
CAXCAUCATH370.2°60.0°
CAXCAUCATH4169.1°179.9°
CAXCAUCAWH556.9°59.9°
CAXCAUCAWH6176.9°60.0°
CAXCAUCAWH763.1°180.0°
CAXCAUOAVH856.0°59.9°
CAUCAXH9H10117.9°120.0°
CAUCAXCAYH11162.1°180.0°
CAUCAXCAYH1275.3°60.0°
CAXCAYCARH11118.7°120.0°
CAXCAYCARH12118.7°120.1°
CAXCAYCARNAQ165.3°180.0°
CAYCAXH9H10117.9°120.0°
CAXCAYH11H12123.7°120.0°
CAXCAYCARH1343.1°60.0°
CAYCARNAQH13122.2°120.0°
CAYCARNAQCAP44.2°85.0°
CAYCARCASH129.3°60.0°
CAYCARCASH2152.6°180.0°
CARCAYCAXH977.3°60.0°
CARCAYCAXH10164.0°180.0°
CARCAYH11H12123.7°120.0°
CAYCARNAQH14135.8°95.0°
CARNAQCAPH14180.0°180.0°
CARNAQCAPOAZ15.8°0.0°
CARNAQCAPCAO167.5°180.0°
NAQCARCASH1102.6°60.0°
NAQCARCASH220.6°60.0°
NAQCARCAYH1146.6°60.0°
NAQCARCAYH1276.0°60.0°
NAQCAPOAZCAO176.3°179.9°
NAQCAPCAOCBA142.1°180.0°
NAQCAPCAOCAN36.7°0.2°
CAPNAQCARH13166.5°35.0°
OAZCAPCAOCBA34.5°0.1°
OAZCAPCAOCAN146.7°179.7°
OAZCAPNAQH14164.2°180.0°
CAPCAOCBACAN178.8°179.8°
CAPCAOCBACAK179.3°180.0°
CAPCAOCANCAM179.7°180.0°
CAOCAPNAQH1412.5°0.0°
CAPCAOCBAH150.7°0.0°
CAPCAOCANH160.3°0.1°
CAOCBACAKH15180.0°180.0°
CBACAOCANCAM0.8°0.2°
CAOCBACAKCAL0.4°0.0°
CAOCBACAKNAJ178.3°180.0°
CBACAOCANH16179.2°179.7°
CANCAOCBACAK0.5°0.2°
CAOCANCAMH16180.0°179.9°
CAOCANCAMCAL0.9°0.0°
CANCAOCBAH15179.5°179.7°
CAOCANCAMH17179.1°180.0°
CBACAKCALCAM0.6°0.3°
CBACAKCALNAJ178.9°180.0°
CBACAKNAJCAI29.4°135.0°
CBACAKCALH18179.5°180.0°
CANCAMCALH17180.0°180.0°
CANCAMCALCAK0.8°0.3°
CANCAMCALH18179.2°180.0°
CAMCALCAKH18180.0°179.7°
CAMCALCAKNAJ178.3°179.7°
CALCAMCANH16179.1°179.9°
CALCAKNAJCAI151.8°45.0°
CALCAKCBAH15179.6°180.0°
CAKCALCAMH17179.2°179.7°
CAKNAJCAISBB2.5°0.0°
CAKNAJCAINAH176.9°179.7°
NAJCAKCBAH151.7°0.0°
NAJCAKCALH181.6°0.1°
NAJCAISBBNAH179.5°179.7°
NAJCAISBBCAF179.9°180.0°
NAJCAINAHCAG178.7°180.0°
NAJCAINAHH191.3°0.1°
SBBCAINAHCAG0.8°0.3°
CAISBBCAFCAG1.7°0.2°
CAISBBCAFCAE179.7°118.7°
SBBCAINAHH19179.2°179.7°
CAISBBCAFH2189.1°118.7°
NAHCAISBBCAF0.6°0.3°
CAINAHCAGH19180.0°179.9°
CAINAHCAGCAF2.4°0.1°
CAINAHCAGH20118.8°120.7°
CAINAHCAGH29123.6°120.7°
SBBCAFCAGNAH2.6°0.1°
SBBCAFCAGCAE177.7°118.6°
SBBCAFCAGH2190.7°118.8°
SBBCAFCAEH2191.1°122.6°
SBBCAFCAEOBC10.8°88.5°
SBBCAFCAENAD169.1°91.5°
SBBCAFCAGH20118.6°120.5°
SBBCAFCAGH29123.8°120.9°
NAHCAGCAFH20121.2°120.6°
NAHCAGCAFH29121.2°120.7°
NAHCAGCAFCAE179.7°118.7°
NAHCAGH20H29116.3°118.8°
NAHCAGCAFH2188.1°118.7°
CAGCAFCAEH2191.6°122.7°
CAGCAFCAEOBC166.5°26.3°
CAGCAFCAENAD13.6°153.8°
CAFCAGNAHH19177.6°179.8°
CAFCAGH20H29116.3°118.8°
CAFCAEOBCNAD179.9°180.0°
CAFCAENADCAC180.0°175.0°
CAECAFCAGH2059.1°1.9°
CAFCAENADH220.1°5.0°
CAECAFCAGH2958.6°120.6°
OBCCAENADCAC0.1°5.0°
OBCCAECAFH21101.9°148.9°
OBCCAENADH22180.0°175.0°
CAENADCACH22180.0°180.0°
CAENADCACCAB79.1°86.2°
CAENADCACCBD104.6°93.6°
NADCAECAFH2178.0°31.1°
NADCACCABCBD176.3°179.8°
NADCACCABCLA2.5°0.0°
NADCACCABCBH179.0°180.0°
NADCACCBDCBF178.2°179.7°
NADCACCBDCBE4.0°0.1°
CACCABCLACBH178.5°180.0°
CACCABCBHCBG2.0°0.0°
CABCACCBDCBF1.8°0.5°
CABCACCBDCBE179.7°179.7°
CABCACNADH22100.8°93.8°
CACCABCBHH23178.0°180.0°
CBDCACCABCLA178.8°179.7°
CBDCACCABCBH2.7°0.2°
CACCBDCBFCBG0.2°0.5°
CACCBDCBFCBE177.9°179.8°
CBDCACNADH2275.4°86.4°
CACCBDCBFH25179.8°179.8°
CACCBDCBEH2688.8°90.0°
CACCBDCBEH27151.1°150.0°
CACCBDCBEH2831.1°30.0°
CLACABCBHCBG179.5°180.0°
CLACABCBHH230.5°0.0°
CABCBHCBGH23180.0°180.0°
CABCBHCBGCBF0.3°0.0°
CABCBHCBGH24179.7°180.0°
CBHCBGCBFH24180.0°179.9°
CBHCBGCBFCBD0.6°0.3°
CBHCBGCBFH25179.5°180.0°
CBGCBFCBDH25180.0°179.7°
CBGCBFCBDCBE178.1°179.7°
CBFCBGCBHH23179.7°180.0°
CBDCBFCBGH24179.5°179.8°
CBFCBDCBEH2689.0°89.7°
CBFCBDCBEH2731.0°30.2°
CBFCBDCBEH28151.0°150.2°
CBECBDCBFH251.8°0.0°
CBDCBEH26H27120.0°120.0°
CBDCBEH26H28120.0°120.0°
CBDCBEH27H28120.0°120.0°
H1CASCATH3168.0°180.0°
H1CASCATH471.2°60.0°
H1CASCARH13143.9°180.0°
H2CASCATH368.7°60.0°
H2CASCATH452.0°60.0°
H2CASCARH1392.8°60.0°
H5CAWH6H7120.0°120.0°
H9CAXCAYH1141.4°60.0°
H9CAXCAYH12164.0°180.0°
H10CAXCAYH1177.3°60.1°
H10CAXCAYH1245.3°59.9°
H11CAYCARH1375.6°60.0°
H12CAYCARH13161.8°179.9°
H13CARNAQH1413.5°145.0°
H16CANCAMH170.9°0.1°
H17CAMCALH180.8°0.0°
H19NAHCAGH2061.2°59.3°
H19NAHCAGH2956.4°59.4°
H20CAGCAFH21150.7°120.7°
H21CAFCAGH2933.0°2.0°
H23CBHCBGH240.3°0.0°
H24CBGCBFH250.5°0.1°
H26CBEH27H28120.0°120.0°

223166

PDB entries from 2024-07-31

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