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HEM

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CHAC1Asing1.39Å1.37Å
CHAC4Ddoub1.40Å1.38Å
CHAHHAsing1.09Å1.08Å
CHBC4Asing1.39Å1.39Å
CHBC1Bdoub1.40Å1.36Å
CHBHHBsing1.09Å1.08Å
CHCC4Bsing1.39Å1.41Å
CHCC1Cdoub1.39Å1.39Å
CHCHHCsing1.09Å1.08Å
CHDC4Cdoub1.38Å1.39Å
CHDC1Dsing1.40Å1.39Å
CHDHHDsing1.09Å1.08Å
C1AC2Adoub1.41Å1.46ÅAromatic
C1ANAsing1.38Å1.36ÅAromatic
C2AC3Asing1.36Å1.33ÅAromatic
C2ACAAsing1.51Å1.49Å
C3AC4Adoub1.41Å1.46ÅAromatic
C3ACMAsing1.51Å1.50Å
C4ANAsing1.38Å1.36ÅAromatic
CMAHMAsing1.09Å1.10Å
CMAHMAAsing1.09Å1.10Å
CMAHMABsing1.09Å1.10Å
CAACBAsing1.53Å1.55Å
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CBACGAsing1.51Å1.51Å
CBAHBAsing1.09Å1.10Å
CBAHBAAsing1.09Å1.10Å
CGAO1Adoub1.21Å1.25Å
CGAO2Asing1.34Å1.26Å
C1BC2Bsing1.42Å1.44Å
C1BNBsing1.33Å1.37Å
C2BC3Bdoub1.36Å1.36Å
C2BCMBsing1.51Å1.51Å
C3BC4Bsing1.48Å1.44Å
C3BCABsing1.47Å1.49Å
C4BNBdoub1.33Å1.35Å
CMBHMBsing1.09Å1.10Å
CMBHMBAsing1.09Å1.10Å
CMBHMBBsing1.09Å1.10Å
CABCBBdoub1.33Å1.32Å
CABHABsing1.08Å1.08Å
CBBHBBsing1.08Å1.08Å
CBBHBBAsing1.08Å1.08Å
C1CC2Csing1.40Å1.46ÅAromatic
C1CNCsing1.38Å1.35ÅAromatic
C2CC3Cdoub1.38Å1.36ÅAromatic
C2CCMCsing1.51Å1.51Å
C3CC4Csing1.42Å1.46ÅAromatic
C3CCACsing1.47Å1.48Å
C4CNCsing1.38Å1.34ÅAromatic
CMCHMCsing1.09Å1.10Å
CMCHMCAsing1.09Å1.10Å
CMCHMCBsing1.09Å1.10Å
CACCBCdoub1.33Å1.34Å
CACHACsing1.08Å1.08Å
CBCHBCsing1.08Å1.08Å
CBCHBCAsing1.08Å1.08Å
C1DC2Dsing1.47Å1.44Å
C1DNDdoub1.33Å1.37Å
C2DC3Ddoub1.35Å1.37Å
C2DCMDsing1.51Å1.50Å
C3DC4Dsing1.47Å1.45Å
C3DCADsing1.51Å1.47Å
C4DNDsing1.34Å1.34Å
CMDHMDsing1.09Å1.10Å
CMDHMDAsing1.09Å1.10Å
CMDHMDBsing1.09Å1.10Å
CADCBDsing1.53Å1.56Å
CADHADsing1.09Å1.10Å
CADHADAsing1.09Å1.10Å
CBDCGDsing1.51Å1.46Å
CBDHBDsing1.09Å1.10Å
CBDHBDAsing1.09Å1.10Å
CGDO1Ddoub1.21Å1.27Å
CGDO2Dsing1.34Å1.27Å
O2AH2Asing0.97Å0.95Å
O2DH2Dsing0.97Å0.95Å
FENAsing1.98Å2.04Å
FENBsing2.39Å2.08Å
FENCsing2.09Å2.06Å
FENDsing1.85Å1.99Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1ACHAC4D127.9°123.0°
C1ACHAHHA116.0°118.4°
CHAC1AC2A125.8°124.2°
CHAC1ANA124.3°127.9°
C4DCHAHHA116.1°118.6°
CHAC4DC3D126.1°124.1°
CHAC4DND124.6°127.6°
C4ACHBC1B126.6°123.1°
C4ACHBHHB116.7°118.5°
CHBC4AC3A124.5°124.0°
CHBC4ANA125.2°128.3°
C1BCHBHHB116.7°118.5°
CHBC1BC2B124.6°123.3°
CHBC1BNB124.6°127.2°
C4BCHCC1C128.2°123.1°
C4BCHCHHC115.9°118.6°
CHCC4BC3B125.3°124.5°
CHCC4BNB124.7°128.4°
C1CCHCHHC115.9°118.3°
CHCC1CC2C126.2°123.8°
CHCC1CNC124.3°127.9°
C4CCHDC1D128.1°123.0°
C4CCHDHHD116.0°118.5°
CHDC4CC3C125.5°124.2°
CHDC4CNC124.8°128.1°
C1DCHDHHD115.9°118.4°
CHDC1DC2D125.1°124.1°
CHDC1DND125.0°127.6°
C2AC1ANA109.9°107.9°
C1AC2AC3A107.2°108.0°
C1AC2ACAA125.6°126.0°
C1ANAC4A106.2°108.2°
C1ANAFE125.5°117.4°
C3AC2ACAA127.2°126.0°
C2AC3AC4A106.4°108.1°
C2AC3ACMA127.9°125.9°
C2ACAACBA104.9°109.5°
C2ACAAHAA110.6°109.5°
C2ACAAHAAA110.6°109.5°
C4AC3ACMA125.7°126.0°
C3AC4ANA110.3°107.7°
C3ACMAHMA109.5°109.5°
C3ACMAHMAA109.5°109.5°
C3ACMAHMAB109.5°109.5°
C4ANAFE128.2°133.0°
HMACMAHMAA109.5°109.4°
HMACMAHMAB109.5°109.5°
HMAACMAHMAB109.4°109.4°
CBACAAHAA110.6°109.5°
CBACAAHAAA110.6°109.4°
CAACBACGA119.6°109.5°
CAACBAHBA106.9°109.4°
CAACBAHBAA106.9°109.4°
HAACAAHAAA109.5°109.5°
CGACBAHBA106.9°109.5°
CGACBAHBAA106.9°109.5°
CBACGAO1A117.8°120.0°
CBACGAO2A118.4°120.0°
HBACBAHBAA109.5°109.4°
O1ACGAO2A123.8°120.0°
CGAO2AH2A109.5°117.0°
C2BC1BNB110.8°109.5°
C1BC2BC3B105.5°107.0°
C1BC2BCMB125.3°126.5°
C1BNBC4B106.3°110.2°
C1BNBFE127.9°123.9°
C3BC2BCMB129.2°126.5°
C2BC3BC4B107.4°105.9°
C2BC3BCAB129.9°127.1°
C2BCMBHMB109.5°109.5°
C2BCMBHMBA109.5°109.5°
C2BCMBHMBB109.5°109.5°
C4BC3BCAB122.7°127.0°
C3BC4BNB110.1°107.1°
C3BCABCBB128.1°120.0°
C3BCABHAB115.9°120.0°
C4BNBFE125.9°125.5°
HMBCMBHMBA109.4°109.5°
HMBCMBHMBB109.5°109.4°
HMBACMBHMBB109.5°109.4°
CBBCABHAB116.0°120.0°
CABCBBHBB120.0°120.0°
CABCBBHBBA120.0°120.0°
HBBCBBHBBA120.0°120.0°
C2CC1CNC109.5°108.3°
C1CC2CC3C106.3°107.8°
C1CC2CCMC124.7°126.1°
C1CNCC4C108.1°108.7°
C1CNCFE127.2°132.6°
C3CC2CCMC129.0°126.2°
C2CC3CC4C106.4°107.4°
C2CC3CCAC129.7°126.3°
C2CCMCHMC109.5°109.5°
C2CCMCHMCA109.5°109.4°
C2CCMCHMCB109.5°109.5°
C4CC3CCAC123.9°126.3°
C3CC4CNC109.7°107.7°
C3CCACCBC128.3°120.1°
C3CCACHAC115.8°120.0°
C4CNCFE124.6°117.5°
HMCCMCHMCA109.5°109.5°
HMCCMCHMCB109.5°109.6°
HMCACMCHMCB109.5°109.4°
CBCCACHAC115.9°120.0°
CACCBCHBC120.0°120.0°
CACCBCHBCA120.0°120.0°
HBCCBCHBCA120.0°120.0°
C2DC1DND109.9°108.3°
C1DC2DC3D105.6°106.5°
C1DC2DCMD126.2°126.7°
C1DNDC4D107.7°110.1°
C1DNDFE125.1°126.4°
C3DC2DCMD128.2°126.8°
C2DC3DC4D107.5°106.5°
C2DC3DCAD126.9°126.7°
C2DCMDHMD109.5°109.5°
C2DCMDHMDA109.5°109.5°
C2DCMDHMDB109.5°109.4°
C4DC3DCAD125.6°126.7°
C3DC4DND109.3°108.3°
C3DCADCBD100.8°109.5°
C3DCADHAD111.6°109.5°
C3DCADHADA111.6°109.5°
C4DNDFE127.2°123.3°
HMDCMDHMDA109.5°109.5°
HMDCMDHMDB109.5°109.5°
HMDACMDHMDB109.4°109.5°
CBDCADHAD111.6°109.5°
CBDCADHADA111.6°109.5°
CADCBDCGD112.7°109.5°
CADCBDHBD108.7°109.5°
CADCBDHBDA108.7°109.5°
HADCADHADA109.5°109.4°
CGDCBDHBD108.7°109.5°
CGDCBDHBDA108.7°109.5°
CBDCGDO1D118.3°120.0°
CBDCGDO2D115.3°120.0°
HBDCBDHBDA109.5°109.4°
O1DCGDO2D126.4°120.0°
CGDO2DH2D109.5°117.0°
NAFENB87.5°82.2°
NAFENC177.2°160.2°
NAFEND90.4°98.4°
NBFENC89.8°80.7°
NBFEND177.8°161.9°
NCFEND92.3°94.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1ACHAC4DHHA180.0°179.8°
CHAC1AC2ANA178.9°179.5°
CHAC1AC2AC3A179.9°177.6°
CHAC1AC2ACAA1.3°2.3°
CHAC1ANAC4A179.9°176.4°
C1ACHAC4DC3D178.0°173.0°
C1ACHAC4DND0.3°7.4°
CHAC1ANAFE1.3°15.1°
C4DCHAC1AC2A177.5°178.2°
C4DCHAC1ANA1.2°2.3°
CHAC4DNDC1D179.4°175.1°
CHAC4DC3DC2D179.6°176.9°
CHAC4DC3DND178.0°179.7°
CHAC4DC3DCAD1.0°3.1°
CHAC4DNDFE0.3°0.8°
HHACHAC1AC2A2.5°2.0°
HHACHAC1ANA178.8°177.4°
HHACHAC4DC3D2.0°6.8°
HHACHAC4DND179.7°172.8°
C4ACHBC1BHHB180.0°179.9°
CHBC4ANAC1A179.3°176.6°
CHBC4AC3AC2A178.5°177.8°
CHBC4AC3ANA178.8°179.7°
CHBC4AC3ACMA0.3°2.2°
C4ACHBC1BC2B178.7°175.1°
C4ACHBC1BNB0.5°5.2°
CHBC4ANAFE0.8°17.4°
C1BCHBC4AC3A177.9°178.7°
C1BCHBC4ANA0.7°1.6°
CHBC1BC2BNB179.3°179.8°
CHBC1BC2BC3B179.3°176.9°
CHBC1BC2BCMB0.1°3.1°
CHBC1BNBC4B179.7°175.1°
CHBC1BNBFE0.3°1.4°
HHBCHBC4AC3A2.0°1.1°
HHBCHBC4ANA179.3°178.5°
HHBCHBC1BC2B1.3°5.0°
HHBCHBC1BNB179.5°174.7°
C4BCHCC1CHHC180.0°180.0°
CHCC4BNBC1B180.0°174.9°
CHCC4BC3BC2B180.0°176.9°
CHCC4BC3BNB179.4°179.4°
CHCC4BC3BCAB0.3°3.1°
C4BCHCC1CC2C177.8°176.9°
C4BCHCC1CNC1.0°3.5°
CHCC4BNBFE0.6°1.4°
C1CCHCC4BC3B179.4°177.2°
C1CCHCC4BNB0.1°3.5°
CHCC1CC2CNC179.0°179.7°
CHCC1CC2CC3C179.1°178.3°
CHCC1CC2CCMC0.5°1.6°
CHCC1CNCC4C179.6°176.5°
CHCC1CNCFE1.1°16.6°
HHCCHCC4BC3B0.6°2.7°
HHCCHCC4BNB179.9°176.5°
HHCCHCC1CC2C2.2°3.1°
HHCCHCC1CNC179.0°176.5°
C4CCHDC1DHHD180.0°179.8°
CHDC4CNCC1C179.5°175.9°
CHDC4CC3CC2C179.6°176.8°
CHDC4CC3CNC179.6°179.5°
CHDC4CC3CCAC0.5°3.2°
C4CCHDC1DC2D179.0°171.7°
C4CCHDC1DND0.7°8.7°
CHDC4CNCFE1.9°15.0°
C1DCHDC4CC3C179.2°179.3°
C1DCHDC4CNC0.3°1.3°
CHDC1DC2DND178.5°179.6°
CHDC1DC2DC3D178.1°177.1°
CHDC1DC2DCMD0.6°3.0°
CHDC1DNDC4D179.1°175.2°
CHDC1DNDFE0.0°0.7°
HHDCHDC4CC3C0.8°0.5°
HHDCHDC4CNC179.6°178.9°
HHDCHDC1DC2D1.1°8.4°
HHDCHDC1DND179.3°171.1°
C1AC2AC3ACAA178.8°179.9°
C1AC2AC3AC4A0.9°0.0°
C1AC2AC3ACMA179.7°180.0°
C2AC1ANAC4A1.0°3.2°
C1AC2ACAACBA85.6°90.0°
C1AC2ACAAHAA155.2°150.0°
C1AC2ACAAHAAA33.7°29.9°
C2AC1ANAFE177.6°165.4°
NAC1AC2AC3A1.3°1.9°
NAC1AC2ACAA177.5°178.1°
C1ANAC4AC3A0.5°3.2°
C1ANAC4AFE178.6°166.1°
C1ANAFENB178.7°178.0°
C1ANAFENC177.0°147.3°
C1ANAFEND0.6°16.2°
C2AC3AC4ACMA178.9°180.0°
C2AC3AC4ANA0.3°1.9°
C2AC3ACMAHMA89.3°90.0°
C2AC3ACMAHMAA150.7°150.0°
C2AC3ACMAHMAB30.7°30.0°
C3AC2ACAACBA93.0°90.0°
C3AC2ACAAHAA26.3°30.0°
C3AC2ACAAHAAA147.7°150.0°
CAAC2AC3AC4A177.9°179.9°
CAAC2AC3ACMA0.9°0.1°
C2ACAACBAHAA119.3°120.0°
C2ACAACBAHAAA119.3°120.0°
C2ACAAHAAHAAA122.1°120.0°
C2ACAACBACGA179.9°180.0°
C2ACAACBAHBA58.5°60.0°
C2ACAACBAHBAA58.7°60.0°
C4AC3ACMAHMA89.3°90.0°
C4AC3ACMAHMAA30.7°30.0°
C4AC3ACMAHMAB150.7°150.0°
C3AC4ANAFE178.1°162.9°
CMAC3AC4ANA179.2°178.0°
C3ACMAHMAHMAA120.0°120.0°
C3ACMAHMAHMAB120.0°120.0°
C3ACMAHMAAHMAB120.0°120.0°
C4ANAFENB0.4°17.0°
C4ANAFENC1.3°47.6°
C4ANAFEND178.9°178.7°
HMACMAHMAAHMAB120.0°120.0°
CBACAAHAAHAAA122.1°120.0°
CAACBACGAHBA121.4°120.0°
CAACBACGAHBAA121.4°120.0°
CAACBAHBAHBAA115.4°119.9°
CAACBACGAO1A114.6°0.1°
CAACBACGAO2A66.4°180.0°
HAACAACBACGA60.9°60.0°
HAACAACBAHBA177.7°180.0°
HAACAACBAHBAA60.6°60.0°
HAAACAACBACGA60.6°60.0°
HAAACAACBAHBA60.8°60.0°
HAAACAACBAHBAA177.9°180.0°
CGACBAHBAHBAA115.5°120.0°
CBACGAO1AO2A178.9°179.9°
CBACGAO2AH2A178.9°180.0°
HBACBACGAO1A124.0°119.9°
HBACBACGAO2A55.0°60.0°
HBAACBACGAO1A6.8°120.1°
HBAACBACGAO2A172.2°60.0°
O1ACGAO2AH2A0.0°0.1°
C1BC2BC3BCMB179.4°180.0°
C1BC2BC3BC4B0.4°0.2°
C1BC2BC3BCAB179.3°179.8°
C2BC1BNBC4B0.4°4.7°
C1BC2BCMBHMB180.0°0.0°
C1BC2BCMBHMBA60.0°120.0°
C1BC2BCMBHMBB60.0°120.0°
C2BC1BNBFE179.0°178.4°
NBC1BC2BC3B0.0°2.9°
NBC1BC2BCMB179.4°177.1°
C1BNBC4BC3B0.6°4.5°
C1BNBC4BFE179.4°173.6°
C1BNBFENA0.2°9.5°
C1BNBFENC179.7°179.4°
C1BNBFEND17.2°102.7°
C2BC3BC4BCAB179.7°180.0°
C2BC3BC4BNB0.6°2.6°
C3BC2BCMBHMB0.7°180.0°
C3BC2BCMBHMBA120.7°60.0°
C3BC2BCMBHMBB119.3°60.0°
C2BC3BCABCBB48.7°49.2°
C2BC3BCABHAB131.3°130.8°
CMBC2BC3BC4B179.8°179.8°
CMBC2BC3BCAB0.1°0.2°
C2BCMBHMBHMBA120.0°120.1°
C2BCMBHMBHMBB120.0°120.0°
C2BCMBHMBAHMBB120.0°120.0°
C4BC3BCABCBB131.6°130.8°
C4BC3BCABHAB48.4°49.2°
C3BC4BNBFE178.8°178.0°
CABC3BC4BNB179.1°177.5°
C3BCABCBBHAB180.0°180.0°
C3BCABCBBHBB180.0°174.0°
C3BCABCBBHBBA0.0°6.0°
C4BNBFENA179.5°177.8°
C4BNBFENC0.4°7.9°
C4BNBFEND162.1°84.6°
HMBCMBHMBAHMBB120.0°119.9°
CABCBBHBBHBBA180.0°180.0°
HABCABCBBHBB0.0°6.0°
HABCABCBBHBBA180.0°174.0°
C1CC2CC3CCMC179.6°179.9°
C1CC2CC3CC4C0.4°0.8°
C1CC2CC3CCAC179.5°179.2°
C2CC1CNCC4C0.6°3.1°
C1CC2CCMCHMC180.0°0.1°
C1CC2CCMCHMCA60.0°120.1°
C1CC2CCMCHMCB60.0°120.0°
C2CC1CNCFE177.9°163.7°
NCC1CC2CC3C0.1°1.4°
NCC1CC2CCMC179.5°178.7°
C1CNCC4CC3C0.8°3.6°
C1CNCC4CFE178.6°169.1°
C1CNCFENA2.2°45.8°
C1CNCFENB0.4°15.1°
C1CNCFEND179.7°177.4°
C2CC3CC4CCAC179.9°179.9°
C2CC3CC4CNC0.7°2.7°
C3CC2CCMCHMC0.5°180.0°
C3CC2CCMCHMCA119.5°60.1°
C3CC2CCMCHMCB120.5°59.9°
C2CC3CCACCBC48.1°55.9°
C2CC3CCACHAC131.9°124.0°
CMCC2CC3CC4C180.0°179.1°
CMCC2CC3CCAC0.1°0.9°
C2CCMCHMCHMCA120.0°119.9°
C2CCMCHMCHMCB120.0°120.0°
C2CCMCHMCAHMCB120.0°119.9°
C4CC3CCACCBC132.1°124.0°
C4CC3CCACHAC47.9°56.1°
C3CC4CNCFE177.7°165.6°
CACC3CC4CNC179.1°177.3°
C3CCACCBCHAC180.0°179.9°
C3CCACCBCHBC180.0°4.5°
C3CCACCBCHBCA0.0°175.4°
C4CNCFENA179.5°148.2°
C4CNCFENB178.7°179.0°
C4CNCFEND2.0°16.7°
HMCCMCHMCAHMCB120.0°120.1°
CACCBCHBCHBCA180.0°179.9°
HACCACCBCHBC0.0°175.4°
HACCACCBCHBCA180.0°4.7°
C1DC2DC3DCMD178.7°180.0°
C1DC2DC3DC4D1.1°0.1°
C1DC2DC3DCAD177.4°179.9°
C2DC1DNDC4D0.6°4.5°
C1DC2DCMDHMD180.0°0.0°
C1DC2DCMDHMDA60.0°120.0°
C1DC2DCMDHMDB60.0°120.0°
C2DC1DNDFE178.4°179.7°
NDC1DC2DC3D0.4°2.6°
NDC1DC2DCMD179.1°177.4°
C1DNDC4DC3D1.3°4.5°
C1DNDC4DFE179.0°176.0°
C1DNDFENA179.0°175.2°
C1DNDFENB163.6°84.6°
C1DNDFENC1.1°10.1°
C2DC3DC4DCAD178.6°180.0°
C2DC3DC4DND1.6°2.8°
C3DC2DCMDHMD1.6°180.0°
C3DC2DCMDHMDA118.4°60.0°
C3DC2DCMDHMDB121.6°60.0°
C2DC3DCADCBD99.1°95.0°
C2DC3DCADHAD19.5°145.0°
C2DC3DCADHADA142.3°25.1°
CMDC2DC3DC4D179.8°179.9°
CMDC2DC3DCAD1.3°0.1°
C2DCMDHMDHMDA120.0°120.0°
C2DCMDHMDHMDB120.0°120.0°
C2DCMDHMDAHMDB120.0°120.0°
C4DC3DCADCBD79.2°85.0°
C4DC3DCADHAD162.2°35.0°
C4DC3DCADHADA39.4°155.0°
C3DC4DNDFE177.7°179.5°
CADC3DC4DND177.0°177.3°
C3DCADCBDHAD118.6°120.0°
C3DCADCBDHADA118.6°120.0°
C3DCADHADHADA124.0°120.0°
C3DCADCBDCGD179.6°180.0°
C3DCADCBDHBD59.2°60.0°
C3DCADCBDHBDA59.9°60.0°
C4DNDFENA0.2°9.5°
C4DNDFENB17.5°100.1°
C4DNDFENC179.9°174.6°
HMDCMDHMDAHMDB120.0°120.0°
CBDCADHADHADA124.1°120.0°
CADCBDCGDHBD120.5°120.1°
CADCBDCGDHBDA120.5°120.0°
CADCBDHBDHBDA118.5°120.0°
CADCBDCGDO1D67.5°0.0°
CADCBDCGDO2D114.1°180.0°
HADCADCBDCGD61.8°60.0°
HADCADCBDHBD177.8°180.0°
HADCADCBDHBDA58.7°60.1°
HADACADCBDCGD61.1°60.0°
HADACADCBDHBD59.4°60.1°
HADACADCBDHBDA178.4°180.0°
CGDCBDHBDHBDA118.5°120.0°
CBDCGDO1DO2D178.2°180.0°
CBDCGDO2DH2D178.3°180.0°
HBDCBDCGDO1D52.9°120.1°
HBDCBDCGDO2D125.5°60.0°
HBDACBDCGDO1D172.0°120.0°
HBDACBDCGDO2D6.4°60.0°
O1DCGDO2DH2D0.0°0.0°
NAFENBNC179.9°169.9°
NAFENBND17.4°93.3°
NAFENCND177.6°131.6°
NBFENCND179.3°162.3°

219140

PDB entries from 2024-05-01

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