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JHF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAXCAWsing1.53Å1.57Å
CAXCAYsing1.53Å1.49Å
CAWCARsing1.53Å1.60Å
CBOSBLsing1.81Å1.81Å
CAYCAZsing1.50Å1.43Å
OBNSBLdoub1.42Å1.52Å
CARNBAsing1.46Å1.57Å
CARCAOsing1.51Å1.47Å
CAZNBAsing1.33Å1.35Å
CAZOBKdoub1.21Å1.23Å
CAVNAUsing1.47Å1.46Å
CAVCAQsing1.55Å1.45Å
SBLNAUsing1.66Å1.76Å
SBLOBMdoub1.42Å1.50Å
NBACBBsing1.40Å1.39Å
NAUCATsing1.47Å1.46Å
CAQNANsing1.47Å1.52Å
CAQCASsing1.55Å1.53Å
CAONANsing1.36Å1.37ÅAromatic
CAONAPdoub1.30Å1.34ÅAromatic
NANCAKsing1.38Å1.39ÅAromatic
CBCCBBdoub1.39Å1.39ÅAromatic
CBCCBDsing1.38Å1.40ÅAromatic
NAPCALsing1.36Å1.37ÅAromatic
CBBCBGsing1.39Å1.40ÅAromatic
CATCASsing1.54Å1.53Å
CAKCALdoub1.41Å1.35ÅAromatic
CAKCAJsing1.39Å1.35ÅAromatic
CALCAMsing1.40Å1.38ÅAromatic
CBDCBEdoub1.39Å1.43ÅAromatic
CBGCBFdoub1.38Å1.40ÅAromatic
CAJCAIdoub1.37Å1.41ÅAromatic
CAMCAFdoub1.39Å1.39ÅAromatic
CAGCAEsing1.51Å1.50Å
CBECBFsing1.39Å1.39ÅAromatic
CBEOBIsing1.36Å1.38Å
CAICAFsing1.40Å1.41ÅAromatic
CBFFBHsing1.35Å1.35Å
CAFCAAsing1.49Å1.39Å
CAECAAdoub1.37Å1.36ÅAromatic
CAEOADsing1.34Å1.31ÅAromatic
CBJOBIsing1.43Å1.44Å
CAACABsing1.42Å1.37ÅAromatic
OADNACsing1.21Å1.52ÅAromatic
CABNACdoub1.30Å1.30ÅAromatic
CABCAHsing1.51Å1.48Å
CBJH1sing1.09Å1.10Å
CBJH2sing1.09Å1.10Å
CBJH3sing1.09Å1.10Å
CBGH4sing1.08Å1.08Å
CBDH5sing1.08Å1.08Å
CBCH6sing1.08Å1.08Å
CAYH7sing1.09Å1.10Å
CAYH8sing1.09Å1.10Å
CAXH9sing1.09Å1.10Å
CAXH10sing1.09Å1.10Å
CAWH11sing1.09Å1.10Å
CAWH12sing1.09Å1.10Å
CARH13sing1.09Å1.10Å
CAMH14sing1.08Å1.08Å
CAGH15sing1.09Å1.10Å
CAGH16sing1.09Å1.10Å
CAGH17sing1.09Å1.10Å
CAHH18sing1.09Å1.10Å
CAHH19sing1.09Å1.10Å
CAHH20sing1.09Å1.10Å
CAIH21sing1.08Å1.08Å
CAJH22sing1.08Å1.08Å
CAQH23sing1.09Å1.10Å
CAVH24sing1.09Å1.10Å
CAVH25sing1.09Å1.10Å
CASH26sing1.09Å1.10Å
CASH27sing1.09Å1.10Å
CATH28sing1.09Å1.10Å
CATH29sing1.09Å1.10Å
CBOH30sing1.09Å1.10Å
CBOH31sing1.09Å1.10Å
CBOH32sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAWCAXCAY112.9°108.4°
CAXCAWCAR102.7°108.8°
CAWCAXH9108.6°109.7°
CAWCAXH10108.6°109.6°
CAXCAWH11111.2°109.6°
CAXCAWH12111.1°109.6°
CAXCAYCAZ107.8°109.9°
CAXCAYH7109.9°109.4°
CAXCAYH8109.9°109.4°
CAYCAXH9108.6°109.6°
CAYCAXH10108.6°109.8°
CAWCARNBA114.4°110.6°
CAWCARCAO111.0°109.3°
CARCAWH11111.1°109.7°
CARCAWH12111.1°109.3°
CAWCARH13105.3°109.3°
CBOSBLOBN108.0°110.6°
CBOSBLNAU98.4°104.4°
CBOSBLOBM108.3°110.5°
SBLCBOH30109.5°109.5°
SBLCBOH31109.5°109.5°
SBLCBOH32109.5°109.5°
CAYCAZNBA120.6°123.5°
CAYCAZOBK121.8°118.3°
CAZCAYH7109.9°109.4°
CAZCAYH8109.9°109.4°
OBNSBLNAU111.6°104.3°
OBNSBLOBM118.7°121.0°
NBACARCAO113.0°109.6°
CARNBACAZ123.6°124.1°
CARNBACBB118.8°117.9°
NBACARH13105.6°109.0°
CARCAONAN125.4°125.0°
CARCAONAP125.4°124.9°
CAOCARH13106.7°109.1°
NBACAZOBK117.4°118.2°
CAZNBACBB117.2°118.0°
NAUCAVCAQ101.6°104.8°
CAVNAUSBL113.8°125.7°
CAVNAUCAT114.7°108.7°
NAUCAVH24111.4°110.4°
NAUCAVH25111.4°110.3°
CAVCAQNAN109.8°111.0°
CAVCAQCAS110.1°101.6°
CAVCAQH23108.5°111.0°
CAQCAVH24111.4°110.4°
CAQCAVH25111.4°110.4°
NAUSBLOBM109.9°104.3°
SBLNAUCAT123.2°125.7°
NBACBBCBC120.5°120.0°
NBACBBCBG120.5°120.0°
NAUCATCAS103.4°107.3°
NAUCATH28111.0°109.9°
NAUCATH29111.0°110.0°
NANCAQCAS113.2°111.0°
CAQNANCAO129.7°126.3°
CAQNANCAK123.1°126.4°
NANCAQH23107.6°110.9°
CAQCASCAT104.8°102.9°
CASCAQH23107.5°111.0°
CAQCASH26110.7°110.7°
CAQCASH27110.6°110.7°
NANCAONAP109.2°110.1°
CAONANCAK107.1°107.3°
CAONAPCAL107.7°109.7°
NANCAKCAL106.8°106.0°
NANCAKCAJ133.2°133.9°
CBBCBCCBD120.1°120.0°
CBCCBBCBG118.9°120.0°
CBBCBCH6120.0°120.0°
CBCCBDCBE120.2°120.0°
CBCCBDH5119.9°120.0°
CBDCBCH6119.9°120.0°
NAPCALCAK109.1°106.9°
NAPCALCAM132.0°133.5°
CBBCBGCBF122.3°120.0°
CBBCBGH4118.9°120.1°
CATCASH26110.6°110.7°
CATCASH27110.7°110.9°
CASCATH28111.0°109.9°
CASCATH29111.0°109.9°
CALCAKCAJ119.9°120.1°
CAKCALCAM118.8°119.5°
CAKCAJCAI123.1°120.1°
CAKCAJH22118.4°119.9°
CALCAMCAF123.9°119.5°
CALCAMH14118.1°120.2°
CBDCBECBF120.0°120.0°
CBDCBEOBI125.6°120.0°
CBECBDH5119.9°120.0°
CBGCBFCBE118.4°119.9°
CBGCBFFBH122.0°120.0°
CBFCBGH4118.9°120.0°
CAJCAICAF117.8°120.4°
CAJCAIH21121.1°119.8°
CAICAJH22118.5°120.0°
CAMCAFCAI116.5°120.3°
CAMCAFCAA122.2°119.8°
CAFCAMH14118.0°120.3°
CAGCAECAA128.6°126.9°
CAGCAEOAD120.3°126.9°
CAECAGH15109.5°109.5°
CAECAGH16109.5°109.4°
CAECAGH17109.5°109.4°
CBFCBEOBI114.2°120.0°
CBECBFFBH119.4°120.0°
CBEOBICBJ114.8°117.0°
CAICAFCAA121.4°119.9°
CAFCAIH21121.1°119.8°
CAFCAACAE125.9°128.2°
CAFCAACAB127.5°128.2°
CAACAEOAD111.1°106.3°
CAECAACAB106.7°103.7°
CAEOADNAC105.5°111.8°
OBICBJH1109.5°109.5°
OBICBJH2109.5°109.5°
OBICBJH3109.4°109.5°
CAACABNAC112.2°106.3°
CAACABCAH129.7°126.8°
OADNACCAB104.6°111.9°
NACCABCAH118.0°126.9°
CABCAHH18109.5°109.5°
CABCAHH19109.5°109.5°
CABCAHH20109.5°109.5°
H1CBJH2109.5°109.5°
H1CBJH3109.5°109.5°
H2CBJH3109.5°109.5°
H7CAYH8109.5°109.4°
H9CAXH10109.5°109.7°
H11CAWH12109.5°109.7°
H15CAGH16109.4°109.5°
H15CAGH17109.4°109.5°
H16CAGH17109.5°109.5°
H18CAHH19109.4°109.4°
H18CAHH20109.5°109.5°
H19CAHH20109.5°109.4°
H24CAVH25109.5°110.4°
H26CASH27109.4°110.7°
H28CATH29109.5°109.8°
H30CBOH31109.4°109.4°
H30CBOH32109.4°109.5°
H31CBOH32109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAWCAXCAYH9120.5°119.6°
CAWCAXCAYH10120.5°119.8°
CAXCAWCARH11118.9°119.9°
CAXCAWCARH12118.9°119.7°
CAWCAXCAYCAZ68.8°48.9°
CAXCAWCARNBA31.5°50.4°
CAXCAWCARCAO160.9°171.1°
CAWCAXCAYH750.9°169.0°
CAWCAXCAYH8171.4°71.2°
CAWCAXH9H10118.4°120.5°
CAXCAWH11H12123.1°120.4°
CAXCAWCARH1384.0°69.6°
CAYCAXCAWCAR64.4°67.4°
CAXCAYCAZH7119.8°120.1°
CAXCAYCAZH8119.7°120.1°
CAXCAYCAZNBA37.0°17.6°
CAXCAYCAZOBK147.9°162.4°
CAXCAYH7H8120.8°119.7°
CAYCAXH9H10118.5°120.6°
CAYCAXCAWH11176.7°172.7°
CAYCAXCAWH1254.5°52.2°
CAWCARNBACAO128.4°120.6°
CAWCARNBAH13115.4°120.1°
CAWCARCAOH13114.2°119.4°
CAWCARNBACAZ7.0°18.6°
CAWCARNBACBB179.1°161.1°
CAWCARCAONAN118.2°104.9°
CAWCARCAONAP62.5°75.4°
CARCAWCAXH9175.1°52.2°
CARCAWCAXH1056.1°172.8°
CARCAWH11H12123.1°120.1°
CBOSBLOBNNAU107.1°111.7°
CBOSBLOBNOBM123.7°131.5°
CBOSBLNAUCAV105.1°95.0°
CBOSBLNAUOBM113.0°116.1°
CBOSBLNAUCAT108.4°85.1°
SBLCBOH30H31120.0°120.0°
SBLCBOH30H32120.0°120.1°
SBLCBOH31H32120.0°120.0°
CAYCAZNBACAR8.6°2.0°
CAYCAZNBAOBK175.2°180.0°
CAYCAZNBACBB179.1°177.8°
CAZCAYH7H8120.7°119.9°
CAZCAYCAXH9170.6°70.7°
CAZCAYCAXH1051.7°168.7°
OBNSBLNAUCAV8.1°21.1°
OBNSBLNAUOBM133.8°127.9°
OBNSBLNAUCAT138.4°158.8°
OBNSBLCBOH30180.0°166.7°
OBNSBLCBOH3160.0°73.4°
OBNSBLCBOH3260.0°46.7°
NBACARCAOH13115.6°119.2°
CARNBACAZCBB172.2°179.7°
CARNBACAZOBK176.1°178.1°
NBACARCAONAN111.7°133.7°
NBACARCAONAP67.6°46.0°
CARNBACBBCBC71.0°67.5°
CARNBACBBCBG105.8°111.7°
NBACARCAWH11150.4°170.3°
NBACARCAWH1287.4°69.4°
CAOCARNBACAZ135.3°139.2°
CAOCARNBACBB52.5°40.6°
CARCAONANCAQ1.9°0.0°
CARCAONANNAP179.4°179.7°
CARCAONANCAK177.5°179.9°
CARCAONAPCAL178.2°180.0°
CAOCARCAWH1180.2°69.0°
CAOCARCAWH1242.0°51.4°
CAZNBACBBCBC101.7°112.8°
CAZNBACBBCBG81.6°68.0°
NBACAZCAYH782.7°137.7°
NBACAZCAYH8156.8°102.5°
CAZNBACARH13108.4°101.6°
OBKCAZNBACBB3.9°2.2°
OBKCAZCAYH792.3°42.3°
OBKCAZCAYH828.2°77.5°
NAUCAVCAQH24118.7°118.9°
NAUCAVCAQH25118.7°118.8°
CAVNAUSBLCAT146.5°180.0°
CAVNAUSBLOBM141.9°149.0°
NAUCAVCAQNAN148.6°81.0°
NAUCAVCAQCAS23.3°37.0°
CAVNAUCATCAS12.1°1.0°
NAUCAVCAQH2394.1°155.1°
NAUCAVH24H25123.6°122.3°
CAVNAUCATH28131.1°120.5°
CAVNAUCATH29107.0°118.4°
CAQCAVNAUSBL171.8°155.9°
CAQCAVNAUCAT22.3°24.1°
CAVCAQNANCAS123.5°112.2°
CAVCAQNANH23117.9°123.9°
CAVCAQCASH23118.0°118.1°
CAVCAQNANCAO122.3°73.2°
CAVCAQNANCAK62.7°106.6°
CAVCAQCASCAT17.2°35.5°
CAQCAVH24H25123.7°122.3°
CAVCAQCASH26102.1°153.8°
CAVCAQCASH27136.4°83.1°
SBLNAUCATCAS158.3°179.0°
SBLNAUCAVH2453.0°85.2°
SBLNAUCAVH2569.5°37.1°
SBLNAUCATH2882.6°59.5°
SBLNAUCATH2939.3°61.5°
NAUSBLCBOH3064.0°55.1°
NAUSBLCBOH3156.0°175.0°
NAUSBLCBOH32176.0°65.0°
OBMSBLNAUCAT4.7°31.0°
OBMSBLCBOH3050.3°56.6°
OBMSBLCBOH31170.3°63.4°
OBMSBLCBOH3269.7°176.6°
NBACBBCBCCBG176.8°179.2°
NBACBBCBCCBD178.1°180.0°
NBACBBCBGCBF178.0°179.7°
NBACBBCBGH42.1°0.3°
NBACBBCBCH61.9°0.8°
CBBNBACARH1363.7°78.7°
NAUCATCASCAQ3.1°22.2°
NAUCATCASH28119.0°119.5°
NAUCATCASH29119.0°119.6°
CATNAUCAVH2496.5°94.7°
CATNAUCAVH25141.0°142.9°
NAUCATCASH26116.1°140.6°
NAUCATCASH27122.4°96.2°
NAUCATH28H29122.8°121.2°
NANCAQCASH23118.7°123.8°
CAQNANCAOCAK175.6°179.9°
CAQNANCAONAP177.5°179.7°
NANCAQCASCAT140.5°82.5°
CAQNANCAKCAL177.8°179.7°
CAQNANCAKCAJ5.4°0.0°
NANCAQCAVH2429.8°160.1°
NANCAQCAVH2592.7°37.8°
NANCAQCASH2621.2°35.8°
NANCAQCASH27100.2°158.9°
CASCAQNANCAO114.2°174.6°
CASCAQNANCAK60.8°5.5°
CAQCASCATH26119.3°118.4°
CAQCASCATH27119.3°118.4°
CASCAQCAVH2495.5°81.9°
CASCAQCAVH25142.0°155.8°
CAQCASH26H27122.2°123.1°
CAQCASCATH28115.9°97.3°
CAQCASCATH29122.1°141.8°
NANCAONAPCAL1.2°0.2°
CAONANCAKCAL1.8°0.4°
CAONANCAKCAJ178.7°179.9°
NANCAOCARH133.9°14.5°
CAONANCAQH234.4°50.7°
NAPCAONANCAK1.9°0.4°
CAONAPCALCAK0.1°0.0°
CAONAPCALCAM178.4°180.0°
NAPCAOCARH13176.7°165.2°
NANCAKCALNAP1.1°0.2°
NANCAKCALCAJ177.3°179.8°
NANCAKCALCAM177.5°179.8°
NANCAKCAJCAI179.0°179.7°
NANCAKCAJH220.9°0.3°
CAKNANCAQH23179.4°129.5°
CBBCBCCBDH6180.0°179.1°
CBBCBCCBDCBE3.5°0.6°
CBCCBBCBGCBF1.2°0.6°
CBCCBBCBGH4178.8°179.5°
CBBCBCCBDH5176.5°179.4°
CBDCBCCBBCBG1.3°0.9°
CBCCBDCBEH5180.0°179.9°
CBCCBDCBECBF5.5°0.1°
CBCCBDCBEOBI180.0°179.7°
NAPCALCAKCAM178.6°180.0°
NAPCALCAKCAJ178.4°180.0°
NAPCALCAMCAF179.8°180.0°
NAPCALCAMH140.2°0.0°
CBBCBGCBFH4180.0°179.9°
CBBCBGCBFCBE3.1°0.0°
CBBCBGCBFFBH176.7°180.0°
CBGCBBCBCH6178.7°180.0°
CATCASCAQH23100.8°153.6°
CATCASH26H27122.2°123.4°
CASCATH28H29122.8°121.0°
CALCAKCAJCAI2.5°0.0°
CAKCALCAMCAF1.6°0.1°
CAKCALCAMH14178.4°180.0°
CALCAKCAJH22177.5°180.0°
CAJCAKCALCAM0.1°0.0°
CAKCAJCAIH22180.0°180.0°
CAKCAJCAICAF3.2°0.0°
CAKCAJCAIH21176.8°180.0°
CALCAMCAFH14180.0°180.0°
CALCAMCAFCAI0.9°0.1°
CALCAMCAFCAA179.0°179.9°
CBDCBECBFCBG5.2°0.2°
CBDCBECBFOBI175.1°179.8°
CBDCBECBFFBH179.0°179.7°
CBDCBEOBICBJ8.2°0.2°
CBECBDCBCH6176.5°179.8°
CBGCBFCBEFBH173.7°180.0°
CBGCBFCBEOBI179.7°180.0°
CAJCAICAFCAM1.4°0.0°
CAJCAICAFH21180.0°180.0°
CAJCAICAFCAA178.7°180.0°
CAMCAFCAICAA179.9°180.0°
CAMCAFCAACAE47.5°64.7°
CAMCAFCAACAB130.8°115.0°
CAMCAFCAIH21178.6°180.0°
CAGCAECAACAF0.4°0.1°
CAGCAECAAOAD178.8°179.9°
CAGCAECAACAB178.9°179.7°
CAGCAEOADNAC179.8°179.9°
CAECAGH15H16120.0°120.0°
CAECAGH15H17120.0°120.0°
CAECAGH16H17120.0°119.9°
CBFCBEOBICBJ177.1°180.0°
CBECBFCBGH4176.9°180.0°
CBFCBECBDH5174.5°180.0°
OBICBECBFFBH5.9°0.0°
CBEOBICBJH1180.0°60.0°
CBEOBICBJH260.0°60.0°
CBEOBICBJH360.0°180.0°
OBICBECBDH50.0°0.3°
CAICAFCAACAE132.6°115.3°
CAICAFCAACAB49.1°65.0°
CAICAFCAMH14179.1°180.0°
CAFCAICAJH22176.8°180.0°
FBHCBFCBGH43.3°0.1°
CAFCAACAECAB178.5°179.8°
CAFCAACAEOAD178.4°180.0°
CAFCAACABNAC179.4°179.9°
CAFCAACABCAH3.0°0.0°
CAACAFCAMH141.0°0.0°
CAACAFCAIH211.3°0.0°
CAACAEOADNAC0.9°0.0°
CAECAACABNAC0.9°0.3°
CAECAACABCAH178.5°179.8°
CAACAECAGH15178.7°90.0°
CAACAECAGH1661.3°150.0°
CAACAECAGH1758.7°30.1°
OADCAECAACAB0.1°0.2°
CAEOADNACCAB1.4°0.3°
OADCAECAGH150.0°89.9°
OADCAECAGH16120.0°30.1°
OADCAECAGH17120.0°150.0°
OBICBJH1H2120.0°120.0°
OBICBJH1H3120.0°120.0°
OBICBJH2H3120.0°120.0°
CAACABNACOAD1.3°0.4°
CAACABNACCAH178.0°179.9°
CAACABCAHH18177.6°90.1°
CAACABCAHH1962.5°150.0°
CAACABCAHH2057.5°30.0°
OADNACCABCAH179.3°179.7°
NACCABCAHH180.0°89.8°
NACCABCAHH19120.0°30.2°
NACCABCAHH20120.0°150.1°
CABCAHH18H19120.0°120.0°
CABCAHH18H20120.0°120.0°
CABCAHH19H20120.0°120.0°
H1CBJH2H3120.0°120.0°
H5CBDCBCH63.5°0.3°
H7CAYCAXH969.6°49.4°
H7CAYCAXH10171.4°71.2°
H8CAYCAXH950.9°169.1°
H8CAYCAXH1068.1°48.6°
H9CAXCAWH1156.2°67.7°
H9CAXCAWH1266.0°171.8°
H10CAXCAWH1162.8°52.8°
H10CAXCAWH12175.0°67.7°
H11CAWCARH1334.9°50.3°
H12CAWCARH13157.1°170.7°
H15CAGH16H17119.9°120.1°
H18CAHH19H20120.0°120.0°
H21CAICAJH223.2°0.1°
H23CAQCAVH24147.2°36.3°
H23CAQCAVH2524.6°86.1°
H23CAQCASH26140.0°88.0°
H23CAQCASH2718.5°35.0°
H26CASCATH28124.8°21.1°
H26CASCATH292.9°99.9°
H27CASCATH283.4°144.3°
H27CASCATH29118.6°23.4°
H30CBOH31H32120.0°120.0°

222415

PDB entries from 2024-07-10

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