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HKI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CACNBUsing1.47Å1.46Å
NBUCAYsing1.47Å1.47Å
NBUCABsing1.47Å1.46Å
CAYCBTsing1.53Å1.52Å
CAXCBTsing1.53Å1.53Å
CAXCBHsing1.51Å1.50Å
CAMNAZdoub1.32Å1.34ÅAromatic
CAMCAKsing1.38Å1.38ÅAromatic
NAZCBKsing1.32Å1.34ÅAromatic
NBBCBHsing1.35Å1.40Å
NBBCBMsing1.40Å1.42Å
CBHOAGdoub1.21Å1.23Å
OBECBNsing1.36Å1.39Å
OBECAVsing1.43Å1.44Å
CAKCALdoub1.39Å1.38ÅAromatic
CLACBJsing1.74Å1.75Å
CBNCBJdoub1.39Å1.38ÅAromatic
CBNCAPsing1.39Å1.38ÅAromatic
CBJCARsing1.38Å1.39ÅAromatic
CAPCAOdoub1.38Å1.38ÅAromatic
CBMCASdoub1.37Å1.38ÅAromatic
CBMCBOsing1.40Å1.38ÅAromatic
CARCBIdoub1.39Å1.39ÅAromatic
CBKCAVsing1.51Å1.50Å
CBKCANdoub1.38Å1.38ÅAromatic
CAOCBIsing1.39Å1.38ÅAromatic
CASCBRsing1.40Å1.38ÅAromatic
CBINBCsing1.40Å1.43Å
OBDCBOsing1.36Å1.39Å
OBDCAUsing1.43Å1.43Å
CALCANsing1.39Å1.38ÅAromatic
NBCCBPsing1.38Å1.42Å
CBOCATdoub1.38Å1.38ÅAromatic
CAACAUsing1.53Å1.52Å
CBRCBPdoub1.41Å1.39ÅAromatic
CBRCBQsing1.42Å1.39ÅAromatic
CBPCBLsing1.40Å1.38ÅAromatic
CATCBQsing1.40Å1.38ÅAromatic
CBQNBAdoub1.34Å1.34ÅAromatic
CBLCAJsing1.43Å1.42Å
CBLCAQdoub1.40Å1.37ÅAromatic
CAJNADtrip1.14Å1.17Å
NBACAQsing1.31Å1.33ÅAromatic
CALH1sing1.08Å1.08Å
CAKH2sing1.08Å1.08Å
CAOH3sing1.08Å1.08Å
CAPH4sing1.08Å1.08Å
CANH5sing1.08Å1.08Å
CASH6sing1.08Å1.08Å
CATH7sing1.08Å1.08Å
CARH8sing1.08Å1.08Å
CAMH9sing1.08Å1.08Å
CAQH10sing1.08Å1.08Å
CAAH11sing1.09Å1.10Å
CAAH12sing1.09Å1.10Å
CAAH13sing1.09Å1.10Å
CABH14sing1.09Å1.10Å
CABH15sing1.09Å1.10Å
CABH16sing1.09Å1.10Å
CACH17sing1.09Å1.10Å
CACH18sing1.09Å1.10Å
CACH19sing1.09Å1.10Å
CAVH20sing1.09Å1.10Å
CAVH21sing1.09Å1.10Å
CAXH22sing1.09Å1.10Å
CAXH23sing1.09Å1.10Å
CBTH24sing1.09Å1.10Å
CBTH25sing1.09Å1.10Å
CAYH26sing1.09Å1.10Å
CAYH27sing1.09Å1.10Å
CAUH28sing1.09Å1.10Å
CAUH29sing1.09Å1.10Å
NBCH30sing0.97Å1.00Å
NBBH31sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CACNBUCAY106.9°111.0°
CACNBUCAB105.0°111.0°
NBUCACH17109.5°109.5°
NBUCACH18109.5°109.5°
NBUCACH19109.4°109.5°
CAYNBUCAB112.9°111.0°
NBUCAYCBT116.3°109.4°
NBUCAYH26107.7°109.5°
NBUCAYH27107.7°109.5°
NBUCABH14109.5°109.5°
NBUCABH15109.5°109.4°
NBUCABH16109.5°109.6°
CAYCBTCAX107.2°109.4°
CAYCBTH24110.0°109.5°
CAYCBTH25110.0°109.5°
CBTCAYH26107.7°109.5°
CBTCAYH27107.7°109.4°
CBTCAXCBH112.6°109.5°
CBTCAXH22108.7°109.5°
CBTCAXH23108.7°109.5°
CAXCBTH24110.1°109.5°
CAXCBTH25110.0°109.4°
CAXCBHNBB114.6°120.0°
CAXCBHOAG119.8°120.0°
CBHCAXH22108.7°109.4°
CBHCAXH23108.7°109.5°
NAZCAMCAK124.2°120.8°
CAMNAZCBK115.9°121.7°
NAZCAMH9117.9°119.7°
CAMCAKCAL118.9°119.1°
CAMCAKH2120.6°120.4°
CAKCAMH9117.9°119.6°
NAZCBKCAV117.4°119.6°
NAZCBKCAN123.8°120.8°
CBHNBBCBM117.6°120.0°
NBBCBHOAG125.6°120.0°
CBHNBBH31121.2°120.0°
NBBCBMCAS119.7°119.8°
NBBCBMCBO121.3°119.7°
CBMNBBH31121.2°120.1°
CBNOBECAV105.3°117.0°
OBECBNCBJ118.3°120.0°
OBECBNCAP121.3°120.0°
OBECAVCBK111.1°109.5°
OBECAVH20109.0°109.5°
OBECAVH21109.0°109.4°
CAKCALCAN118.1°118.4°
CAKCALH1121.0°120.8°
CALCAKH2120.5°120.4°
CLACBJCBN118.6°120.0°
CLACBJCAR123.5°120.0°
CBJCBNCAP120.5°120.0°
CBNCBJCAR117.8°120.0°
CBNCAPCAO120.6°120.0°
CBNCAPH4119.7°120.0°
CBJCARCBI123.0°120.0°
CBJCARH8118.5°120.0°
CAPCAOCBI120.6°120.0°
CAPCAOH3119.7°120.0°
CAOCAPH4119.7°120.0°
CASCBMCBO119.0°120.6°
CBMCASCBR121.2°119.8°
CBMCASH6119.4°120.1°
CBMCBOOBD117.9°119.7°
CBMCBOCAT120.0°120.7°
CARCBICAO117.4°120.0°
CARCBINBC124.2°120.1°
CBICARH8118.5°120.0°
CAVCBKCAN118.8°119.6°
CBKCAVH20109.1°109.5°
CBKCAVH21109.1°109.5°
CBKCANCAL119.1°119.1°
CBKCANH5120.5°120.4°
CAOCBINBC118.4°120.0°
CBICAOH3119.7°120.0°
CASCBRCBP120.1°121.0°
CASCBRCBQ119.9°119.9°
CBRCASH6119.4°120.1°
CBINBCCBP121.2°120.0°
CBINBCH30119.4°120.0°
CBOOBDCAU112.4°117.0°
OBDCBOCAT122.1°119.6°
OBDCAUCAA106.8°109.5°
OBDCAUH28110.1°109.5°
OBDCAUH29110.1°109.5°
CANCALH1120.9°120.8°
CALCANH5120.5°120.5°
NBCCBPCBR122.9°121.1°
NBCCBPCBL120.6°121.1°
CBPNBCH30119.4°120.0°
CBOCATCBQ121.5°119.7°
CBOCATH7119.3°120.1°
CAUCAAH11109.5°109.5°
CAUCAAH12109.5°109.5°
CAUCAAH13109.4°109.4°
CAACAUH28110.1°109.5°
CAACAUH29110.1°109.5°
CBPCBRCBQ120.1°119.0°
CBRCBPCBL116.5°117.8°
CBRCBQCAT118.5°119.2°
CBRCBQNBA122.7°120.2°
CBPCBLCAJ120.7°120.3°
CBPCBLCAQ119.9°119.3°
CATCBQNBA118.7°120.6°
CBQCATH7119.2°120.1°
CBQNBACAQ116.4°122.0°
CAJCBLCAQ119.3°120.4°
CBLCAJNAD174.3°180.0°
CBLCAQNBA124.4°121.6°
CBLCAQH10117.8°119.2°
NBACAQH10117.8°119.2°
H11CAAH12109.5°109.4°
H11CAAH13109.5°109.5°
H12CAAH13109.5°109.5°
H14CABH15109.5°109.4°
H14CABH16109.4°109.5°
H15CABH16109.5°109.5°
H17CACH18109.5°109.5°
H17CACH19109.4°109.4°
H18CACH19109.5°109.4°
H20CAVH21109.5°109.5°
H22CAXH23109.5°109.5°
H24CBTH25109.5°109.5°
H26CAYH27109.4°109.5°
H28CAUH29109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CACNBUCAYCAB114.9°123.9°
CACNBUCAYCBT159.4°66.0°
CACNBUCABH14180.0°56.1°
CACNBUCABH1560.0°176.0°
CACNBUCABH1660.0°63.9°
NBUCACH17H18120.0°120.1°
NBUCACH17H19120.0°120.0°
NBUCACH18H19120.0°120.0°
CACNBUCAYH2638.3°174.0°
CACNBUCAYH2779.6°53.9°
NBUCAYCBTH26121.0°120.0°
NBUCAYCBTH27121.0°119.9°
NBUCAYCBTCAX158.7°180.0°
CAYNBUCABH1463.9°180.0°
CAYNBUCABH15176.1°60.1°
CAYNBUCABH1656.1°60.0°
CAYNBUCACH17180.0°60.0°
CAYNBUCACH1860.0°179.9°
CAYNBUCACH1960.0°60.0°
NBUCAYCBTH2439.0°60.0°
NBUCAYCBTH2581.7°60.1°
NBUCAYH26H27116.9°120.1°
CABNBUCAYCBT44.4°170.1°
NBUCABH14H15120.0°119.9°
NBUCABH14H16120.0°120.1°
NBUCABH15H16120.0°120.1°
CABNBUCACH1759.8°176.1°
CABNBUCACH18179.9°56.0°
CABNBUCACH1960.1°63.9°
CABNBUCAYH2676.6°50.1°
CABNBUCAYH27165.4°70.0°
CAYCBTCAXH24119.6°120.0°
CAYCBTCAXH25119.6°120.0°
CAYCBTCAXCBH144.1°180.0°
CAYCBTCAXH2295.4°60.0°
CAYCBTCAXH2323.7°60.0°
CAYCBTH24H25121.0°120.0°
CBTCAYH26H27116.9°120.0°
CBTCAXCBHH22120.5°120.0°
CBTCAXCBHH23120.5°120.0°
CBTCAXCBHNBB173.0°180.0°
CBTCAXCBHOAG7.2°0.0°
CBTCAXH22H23118.6°120.0°
CAXCBTH24H25121.1°120.0°
CAXCBTCAYH2680.3°60.0°
CAXCBTCAYH2737.7°60.1°
CAXCBHNBBOAG179.8°180.0°
CAXCBHNBBCBM158.1°177.4°
CBHCAXH22H23118.6°120.0°
CBHCAXCBTH2424.5°60.0°
CBHCAXCBTH2596.2°60.0°
CAXCBHNBBH3121.9°2.6°
NAZCAMCAKH9180.0°179.7°
NAZCAMCAKCAL0.1°0.1°
CAMNAZCBKCAV179.8°179.9°
CAMNAZCBKCAN0.1°0.6°
NAZCAMCAKH2179.9°180.0°
CAKCAMNAZCBK0.1°0.3°
CAMCAKCALH2180.0°179.9°
CAMCAKCALCAN0.0°0.1°
CAMCAKCALH1180.0°179.7°
NAZCBKCAVOBE52.2°179.5°
NAZCBKCAVCAN179.9°179.4°
NAZCBKCANCAL0.0°0.6°
NAZCBKCANH5180.0°179.5°
CBKNAZCAMH9179.9°179.9°
NAZCBKCAVH2068.0°60.6°
NAZCBKCAVH21172.4°59.5°
CBHNBBCBMH31180.0°180.0°
CBHNBBCBMCAS56.2°25.6°
CBHNBBCBMCBO123.4°154.4°
NBBCBHCAXH2266.5°60.0°
NBBCBHCAXH2352.6°60.0°
CBMNBBCBHOAG21.7°2.7°
NBBCBMCASCBO179.6°180.0°
NBBCBMCASCBR179.5°180.0°
NBBCBMCBOOBD0.4°0.1°
NBBCBMCBOCAT179.0°179.4°
NBBCBMCASH60.5°0.3°
OAGCBHCAXH22113.3°120.0°
OAGCBHCAXH23127.6°120.0°
OAGCBHNBBH31158.3°177.4°
OBECBNCBJCLA0.5°0.2°
OBECBNCBJCAP179.8°179.8°
OBECBNCBJCAR179.3°180.0°
OBECBNCAPCAO179.6°179.8°
CBNOBECAVCBK160.2°180.0°
OBECBNCAPH40.4°0.2°
CBNOBECAVH2040.0°60.0°
CBNOBECAVH2179.5°60.0°
CAVOBECBNCBJ120.0°180.0°
CAVOBECBNCAP60.2°0.2°
OBECAVCBKH20120.2°120.0°
OBECAVCBKH21120.2°119.9°
OBECAVCBKCAN127.9°0.0°
OBECAVH20H21119.2°120.0°
CAKCALCANCBK0.0°0.3°
CAKCALCANH1180.0°179.7°
CAKCALCANH5179.9°179.8°
CALCAKCAMH9179.9°179.8°
CLACBJCBNCAR179.8°179.8°
CLACBJCBNCAP179.7°180.0°
CLACBJCARCBI179.1°179.7°
CLACBJCARH80.9°0.3°
CBJCBNCAPCAO0.6°0.0°
CBNCBJCARCBI1.1°0.5°
CBJCBNCAPH4179.4°180.0°
CBNCBJCARH8178.9°179.9°
CAPCBNCBJCAR0.5°0.3°
CBNCAPCAOH4180.0°180.0°
CBNCAPCAOCBI1.2°0.1°
CBNCAPCAOH3178.8°179.7°
CBJCARCBIH8180.0°179.4°
CBJCARCBICAO0.6°0.6°
CBJCARCBINBC177.5°179.5°
CAPCAOCBICAR0.5°0.4°
CAPCAOCBIH3180.0°179.7°
CAPCAOCBINBC178.8°179.7°
CBMCASCBRH6180.0°179.7°
CASCBMCBOOBD180.0°180.0°
CASCBMCBOCAT0.6°0.6°
CBMCASCBRCBP179.4°179.7°
CBMCASCBRCBQ0.7°0.2°
CASCBMNBBH31123.8°154.4°
CBOCBMCASCBR0.1°0.0°
CBMCBOOBDCAT179.4°179.4°
CBMCBOOBDCAU163.3°180.0°
CBMCBOCATCBQ0.3°0.9°
CBOCBMCASH6179.9°179.7°
CBMCBOCATH7179.7°179.7°
CBOCBMNBBH3156.6°25.6°
CARCBICAONBC178.3°179.9°
CARCBINBCCBP27.2°8.0°
CARCBICAOH3179.5°180.0°
CARCBINBCH30152.9°171.9°
CAVCBKCANCAL179.8°180.0°
CAVCBKCANH50.1°0.0°
CBKCAVH20H21119.3°120.0°
CBKCANCALH5180.0°179.9°
CBKCANCALH1180.0°180.0°
CANCBKCAVH20111.8°120.0°
CANCBKCAVH217.7°119.9°
CAOCBINBCCBP151.0°171.9°
CBICAOCAPH4178.8°179.9°
CAOCBICARH8179.4°180.0°
CAOCBINBCH3029.0°8.1°
CASCBRCBPNBC1.8°0.0°
CASCBRCBPCBQ178.7°179.9°
CASCBRCBPCBL178.6°180.0°
CASCBRCBQCAT1.0°0.0°
CASCBRCBQNBA178.6°179.9°
CBINBCCBPH30180.0°180.0°
CBINBCCBPCBR146.2°88.1°
CBINBCCBPCBL33.4°92.0°
NBCCBICAOH31.2°0.1°
NBCCBICARH82.5°0.1°
CBOOBDCAUCAA171.9°180.0°
OBDCBOCATCBQ179.7°179.8°
OBDCBOCATH70.3°0.3°
CBOOBDCAUH2868.5°60.0°
CBOOBDCAUH2952.3°60.0°
CAUOBDCBOCAT17.3°0.6°
OBDCAUCAAH28119.6°120.0°
OBDCAUCAAH29119.6°120.0°
OBDCAUCAAH11180.0°180.0°
OBDCAUCAAH1260.0°60.0°
OBDCAUCAAH1360.0°60.0°
OBDCAUH28H29121.2°120.0°
CANCALCAKH2180.0°180.0°
NBCCBPCBRCBL179.6°179.9°
NBCCBPCBRCBQ179.5°180.0°
NBCCBPCBLCAJ2.6°0.0°
NBCCBPCBLCAQ179.9°179.9°
CBOCATCBQCBR0.5°0.6°
CBOCATCBQH7180.0°179.4°
CBOCATCBQNBA179.1°179.4°
CAUCAAH11H12120.0°120.0°
CAUCAAH11H13120.0°120.0°
CAUCAAH12H13120.0°120.0°
CAACAUH28H29121.2°120.0°
CBPCBRCBQCAT179.7°180.0°
CBPCBRCBQNBA0.1°0.0°
CBRCBPCBLCAJ177.8°180.0°
CBRCBPCBLCAQ0.3°0.1°
CBPCBRCASH60.6°0.0°
CBRCBPNBCH3033.9°91.9°
CBQCBRCBPCBL0.1°0.1°
CBRCBQCATNBA179.6°179.9°
CBRCBQNBACAQ0.3°0.1°
CBQCBRCASH6179.3°180.0°
CBRCBQCATH7179.5°180.0°
CBPCBLCAJCAQ177.5°179.9°
CBPCBLCAJNAD86.4°132.3°
CBPCBLCAQNBA0.8°0.1°
CBPCBLCAQH10179.2°180.0°
CBLCBPNBCH30146.6°88.0°
CATCBQNBACAQ179.3°180.0°
CBQNBACAQCBL0.8°0.0°
NBACBQCATH70.9°0.1°
CBQNBACAQH10179.2°179.9°
CAJCBLCAQNBA178.3°180.0°
CAJCBLCAQH101.7°0.1°
CAQCBLCAJNAD91.1°47.9°
CBLCAQNBAH10180.0°179.9°
H1CALCAKH20.0°0.3°
H1CALCANH50.1°0.1°
H2CAKCAMH90.1°0.3°
H3CAOCAPH41.2°0.2°
H11CAAH12H13120.0°120.0°
H11CAACAUH2860.4°59.9°
H11CAACAUH2960.4°60.0°
H12CAACAUH28179.6°60.0°
H12CAACAUH2959.6°179.9°
H13CAACAUH2859.6°179.9°
H13CAACAUH29179.6°60.0°
H14CABH15H16119.9°120.0°
H17CACH18H19120.0°120.0°
H22CAXCBTH24145.0°179.9°
H22CAXCBTH2524.3°59.9°
H23CAXCBTH2495.9°60.0°
H23CAXCBTH25143.3°180.0°
H24CBTCAYH26160.0°180.0°
H24CBTCAYH2782.0°60.0°
H25CBTCAYH2639.3°60.0°
H25CBTCAYH27157.3°180.0°

222415

PDB entries from 2024-07-10

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