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PP9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CHAC1Asing0.00Å1.39ÅAromatic
CHAC4Ddoub0.00Å1.39ÅAromatic
CHAHHAsing0.00Å1.10Å
CHBC4Asing0.00Å1.37ÅAromatic
CHBC1Bdoub0.00Å1.36ÅAromatic
CHBHHBsing0.00Å1.10Å
CHCC4Bsing0.00Å1.36ÅAromatic
CHCC1Cdoub0.00Å1.36ÅAromatic
CHCHHCsing0.00Å1.10Å
CHDC4Cdoub0.00Å1.36ÅAromatic
CHDC1Dsing0.00Å1.37ÅAromatic
CHDHHDsing0.00Å1.10Å
NAC1Asing0.00Å1.37ÅAromatic
NAC4Asing0.00Å1.38ÅAromatic
NAHNAsing0.00Å1.02Å
C1AC2Adoub0.00Å1.48ÅAromatic
C2AC3Asing0.00Å1.35ÅAromatic
C2ACAAsing0.00Å1.53Å
C3AC4Adoub0.00Å1.44ÅAromatic
C3ACMAsing0.00Å1.53Å
CMAHMA1sing0.00Å1.12Å
CMAHMA2sing0.00Å1.11Å
CMAHMA3sing0.00Å1.11Å
CAACBAsing0.00Å1.52Å
CAAHAA1sing0.00Å1.11Å
CAAHAA2sing0.00Å1.12Å
CBACGAsing0.00Å1.52Å
CBAHBA1sing0.00Å1.11Å
CBAHBA2sing0.00Å1.11Å
CGAO1Adoub0.00Å1.23Å
CGAO2Asing0.00Å1.23Å
O2AH2Asing0.00Å0.95Å
NBC1Bsing0.00Å1.37ÅAromatic
NBC4Bdoub0.00Å1.38ÅAromatic
C1BC2Bsing0.00Å1.43Å
C2BC3Bdoub0.00Å1.33Å
C2BCMBsing0.00Å1.50Å
C3BC4Bsing0.00Å1.42Å
C3BCABsing0.00Å1.37Å
CMBHMB1sing0.00Å1.11Å
CMBHMB2sing0.00Å1.11Å
CMBHMB3sing0.00Å1.11Å
CABCBBdoub0.00Å1.43Å
CABHABsing0.00Å1.10Å
CBBHBB1sing0.00Å1.10Å
CBBHBB2sing0.00Å1.10Å
NCC1Csing0.00Å1.37ÅAromatic
NCC4Csing0.00Å1.37ÅAromatic
NCHNCsing0.00Å1.02Å
C1CC2Csing0.00Å1.41ÅAromatic
C2CC3Cdoub0.00Å1.34ÅAromatic
C2CCMCsing0.00Å1.51Å
C3CC4Csing0.00Å1.44ÅAromatic
C3CCACsing0.00Å1.37Å
CMCHMC1sing0.00Å1.12Å
CMCHMC2sing0.00Å1.12Å
CMCHMC3sing0.00Å1.11Å
CACCBCdoub0.00Å1.46Å
CACHACsing0.00Å1.10Å
CBCHBC1sing0.00Å1.10Å
CBCHBC2sing0.00Å1.10Å
NDC1Ddoub0.00Å1.38ÅAromatic
NDC4Dsing0.00Å1.37ÅAromatic
C1DC2Dsing0.00Å1.44Å
C2DC3Ddoub0.00Å1.34Å
C2DCMDsing0.00Å1.53Å
C3DC4Dsing0.00Å1.47Å
C3DCADsing0.00Å1.52Å
CMDHMD1sing0.00Å1.12Å
CMDHMD2sing0.00Å1.11Å
CMDHMD3sing0.00Å1.11Å
CADCBDsing0.00Å1.52Å
CADHAD1sing0.00Å1.11Å
CADHAD2sing0.00Å1.11Å
CBDCGDsing0.00Å1.52Å
CBDHBD1sing0.00Å1.11Å
CBDHBD2sing0.00Å1.11Å
CGDO1Ddoub0.00Å1.23Å
CGDO2Dsing0.00Å1.23Å
O2DH2Dsing0.00Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1ACHAC4D129.5°90.0°
C1ACHAHHA115.2°90.0°
CHAC1ANA121.6°90.0°
CHAC1AC2A127.3°90.0°
C4DCHAHHA115.3°90.0°
CHAC4DND122.2°90.0°
CHAC4DC3D127.2°90.0°
C4ACHBC1B124.5°90.0°
C4ACHBHHB117.8°90.0°
CHBC4ANA124.1°90.0°
CHBC4AC3A124.0°90.0°
C1BCHBHHB117.7°90.0°
CHBC1BNB125.1°90.0°
CHBC1BC2B124.2°90.0°
C4BCHCC1C123.5°90.0°
C4BCHCHHC118.4°90.0°
CHCC4BNB124.9°90.0°
CHCC4BC3B122.1°90.0°
C1CCHCHHC118.1°90.0°
CHCC1CNC125.2°90.0°
CHCC1CC2C121.0°90.0°
C4CCHDC1D124.4°90.0°
C4CCHDHHD117.7°90.0°
CHDC4CNC124.0°90.0°
CHDC4CC3C125.1°90.0°
C1DCHDHHD117.9°90.0°
CHDC1DND124.2°90.0°
CHDC1DC2D124.0°90.0°
C1ANAC4A104.4°90.0°
C1ANAHNA127.5°90.0°
NAC1AC2A111.0°90.0°
C4ANAHNA128.1°90.0°
NAC4AC3A111.8°90.0°
C1AC2AC3A105.8°90.0°
C1AC2ACAA130.7°90.0°
C3AC2ACAA123.5°90.0°
C2AC3AC4A106.9°90.0°
C2AC3ACMA126.0°90.0°
C2ACAACBA117.4°90.0°
C2ACAAHAA1109.4°90.0°
C2ACAAHAA2109.4°90.0°
C4AC3ACMA127.1°90.0°
C3ACMAHMA1126.0°90.0°
C3ACMAHMA2106.4°90.0°
C3ACMAHMA3106.4°90.0°
HMA1CMAHMA2106.4°90.0°
HMA1CMAHMA3106.5°90.0°
HMA2CMAHMA3103.0°90.0°
CBACAAHAA1109.3°90.0°
CBACAAHAA2109.3°90.0°
CAACBACGA118.2°90.0°
CAACBAHBA1109.1°90.0°
CAACBAHBA2109.1°90.0°
HAA1CAAHAA2100.7°90.0°
CGACBAHBA1109.1°90.0°
CGACBAHBA2109.0°90.0°
CBACGAO1A117.6°90.0°
CBACGAO2A119.7°90.0°
HBA1CBAHBA2101.1°90.0°
O1ACGAO2A122.7°90.0°
CGAO2AH2A119.7°90.0°
C1BNBC4B103.8°90.0°
NBC1BC2B110.4°90.0°
NBC4BC3B111.7°90.0°
C1BC2BC3B107.9°90.0°
C1BC2BCMB127.8°90.0°
C3BC2BCMB123.7°90.0°
C2BC3BC4B106.2°90.0°
C2BC3BCAB126.4°90.0°
C2BCMBHMB1127.9°90.0°
C2BCMBHMB2105.8°90.0°
C2BCMBHMB3105.8°90.0°
C4BC3BCAB127.1°90.0°
C3BCABCBB117.2°90.0°
C3BCABHAB119.3°90.0°
HMB1CMBHMB2105.8°90.0°
HMB1CMBHMB3105.8°90.0°
HMB2CMBHMB3103.5°90.0°
CBBCABHAB123.4°90.0°
CABCBBHBB1123.4°90.0°
CABCBBHBB2117.2°90.0°
HBB1CBBHBB2119.4°90.0°
C1CNCC4C103.5°90.0°
C1CNCHNC114.5°90.0°
NCC1CC2C111.7°90.0°
C4CNCHNC114.5°90.0°
NCC4CC3C110.8°90.0°
C1CC2CC3C107.1°90.0°
C1CC2CCMC124.2°90.0°
C3CC2CCMC128.5°90.0°
C2CC3CC4C105.1°90.0°
C2CC3CCAC123.8°90.0°
C2CCMCHMC1124.2°90.0°
C2CCMCHMC2107.0°90.0°
C2CCMCHMC3107.0°90.0°
C4CC3CCAC126.8°90.0°
C3CCACCBC117.1°90.0°
C3CCACHAC118.6°90.0°
HMC1CMCHMC2107.0°90.0°
HMC1CMCHMC3107.0°90.0°
HMC2CMCHMC3102.7°90.0°
CBCCACHAC124.3°90.0°
CACCBCHBC1124.2°90.0°
CACCBCHBC2117.1°90.0°
HBC1CBCHBC2118.7°90.0°
C1DNDC4D104.5°90.0°
NDC1DC2D111.7°90.0°
NDC4DC3D110.6°90.0°
C1DC2DC3D106.5°90.0°
C1DC2DCMD127.7°90.0°
C3DC2DCMD125.8°90.0°
C2DC3DC4D106.6°90.0°
C2DC3DCAD122.9°90.0°
C2DCMDHMD1127.7°90.0°
C2DCMDHMD2105.8°90.0°
C2DCMDHMD3105.8°90.0°
C4DC3DCAD130.3°90.0°
C3DCADCBD119.9°90.0°
C3DCADHAD1108.5°90.0°
C3DCADHAD2108.5°90.0°
HMD1CMDHMD2105.8°90.0°
HMD1CMDHMD3105.8°90.0°
HMD2CMDHMD3103.6°90.0°
CBDCADHAD1108.5°90.0°
CBDCADHAD2108.4°90.0°
CADCBDCGD111.4°90.0°
CADCBDHBD1111.5°90.0°
CADCBDHBD2111.5°90.0°
HAD1CADHAD2101.5°90.0°
CGDCBDHBD1111.5°90.0°
CGDCBDHBD2111.5°90.0°
CBDCGDO1D119.1°90.0°
CBDCGDO2D118.2°90.0°
HBD1CBDHBD298.9°90.0°
O1DCGDO2D122.7°90.0°
CGDO2DH2D118.2°90.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1ACHAC4DHHA180.0°90.0°
CHAC1ANAC2A179.5°90.0°
CHAC1ANAC4A178.1°90.0°
CHAC1ANAHNA1.9°90.0°
CHAC1AC2AC3A177.6°90.0°
CHAC1AC2ACAA2.5°90.0°
C1ACHAC4DND0.9°90.0°
C1ACHAC4DC3D178.0°90.0°
C4DCHAC1ANA1.1°90.0°
C4DCHAC1AC2A179.5°90.0°
CHAC4DNDC1D179.8°90.0°
CHAC4DNDC3D179.1°90.0°
CHAC4DC3DC2D179.3°90.0°
CHAC4DC3DCAD5.8°90.0°
HHACHAC1ANA178.9°90.0°
HHACHAC1AC2A0.5°90.0°
HHACHAC4DND179.2°90.0°
HHACHAC4DC3D1.9°90.0°
C4ACHBC1BHHB180.0°90.0°
CHBC4ANAC1A179.0°90.0°
CHBC4ANAC3A178.5°90.0°
CHBC4ANAHNA0.9°90.0°
CHBC4AC3AC2A177.8°90.0°
CHBC4AC3ACMA2.5°90.0°
C4ACHBC1BNB0.1°90.0°
C4ACHBC1BC2B173.2°90.0°
C1BCHBC4ANA0.5°90.0°
C1BCHBC4AC3A177.8°90.0°
CHBC1BNBC2B174.1°90.0°
CHBC1BNBC4B175.4°90.0°
CHBC1BC2BC3B177.0°90.0°
CHBC1BC2BCMB5.9°90.0°
HHBCHBC4ANA179.5°90.0°
HHBCHBC4AC3A2.2°90.0°
HHBCHBC1BNB179.9°90.0°
HHBCHBC1BC2B6.8°90.0°
C4BCHCC1CHHC180.0°90.0°
CHCC4BNBC1B166.6°90.0°
CHCC4BNBC3B167.2°90.0°
CHCC4BC3BC2B165.2°90.0°
CHCC4BC3BCAB8.3°90.0°
C4BCHCC1CNC8.9°90.0°
C4BCHCC1CC2C171.5°90.0°
C1CCHCC4BNB4.3°90.0°
C1CCHCC4BC3B170.2°90.0°
CHCC1CNCC2C163.9°90.0°
CHCC1CNCC4C160.5°90.0°
CHCC1CNCHNC35.2°90.0°
CHCC1CC2CC3C153.6°90.0°
CHCC1CC2CCMC31.0°90.0°
HHCCHCC4BNB175.7°90.0°
HHCCHCC4BC3B9.8°90.0°
HHCCHCC1CNC171.1°90.0°
HHCCHCC1CC2C8.5°90.0°
C4CCHDC1DHHD180.0°90.0°
CHDC4CNCC1C173.2°90.0°
CHDC4CNCC3C178.3°90.0°
CHDC4CNCHNC61.5°90.0°
CHDC4CC3CC2C166.3°90.0°
CHDC4CC3CCAC36.7°90.0°
C4CCHDC1DND1.2°90.0°
C4CCHDC1DC2D175.0°90.0°
C1DCHDC4CNC1.2°90.0°
C1DCHDC4CC3C179.2°90.0°
CHDC1DNDC2D176.6°90.0°
CHDC1DNDC4D175.1°90.0°
CHDC1DC2DC3D175.2°90.0°
CHDC1DC2DCMD4.6°90.0°
HHDCHDC4CNC178.8°90.0°
HHDCHDC4CC3C0.8°90.0°
HHDCHDC1DND178.8°90.0°
HHDCHDC1DC2D5.0°90.0°
C1ANAC4AHNA180.0°90.0°
NAC1AC2AC3A1.9°90.0°
NAC1AC2ACAA178.0°90.0°
C1ANAC4AC3A0.5°90.0°
C4ANAC1AC2A1.4°90.0°
NAC4AC3AC2A0.7°90.0°
NAC4AC3ACMA179.0°90.0°
HNANAC1AC2A178.5°90.0°
HNANAC4AC3A179.5°90.0°
C1AC2AC3ACAA179.9°90.0°
C1AC2AC3AC4A1.5°90.0°
C1AC2AC3ACMA178.2°90.0°
C1AC2ACAACBA120.1°90.0°
C1AC2ACAAHAA1114.6°90.0°
C1AC2ACAAHAA25.2°90.0°
C2AC3AC4ACMA179.7°90.0°
C2AC3ACMAHMA1179.9°90.0°
C2AC3ACMAHMA254.7°90.0°
C2AC3ACMAHMA354.7°90.0°
C3AC2ACAACBA59.7°90.0°
C3AC2ACAAHAA165.5°90.0°
C3AC2ACAAHAA2175.0°90.0°
CAAC2AC3AC4A178.4°90.0°
CAAC2AC3ACMA1.9°90.0°
C2ACAACBAHAA1125.3°90.0°
C2ACAACBAHAA2125.3°90.0°
C2ACAAHAA1HAA2115.1°90.0°
C2ACAACBACGA179.0°90.0°
C2ACAACBAHBA155.8°90.0°
C2ACAACBAHBA253.8°90.0°
C4AC3ACMAHMA10.3°90.0°
C4AC3ACMAHMA2124.9°90.0°
C4AC3ACMAHMA3125.7°90.0°
C3ACMAHMA1HMA2125.3°90.0°
C3ACMAHMA1HMA3125.4°90.0°
C3ACMAHMA2HMA3111.7°90.0°
HMA1CMAHMA2HMA3111.8°90.0°
CBACAAHAA1HAA2115.0°90.0°
CAACBACGAHBA1125.2°90.0°
CAACBACGAHBA2125.2°90.0°
CAACBAHBA1HBA2114.8°90.0°
CAACBACGAO1A130.4°90.0°
CAACBACGAO2A51.3°90.0°
HAA1CAACBACGA53.7°90.0°
HAA1CAACBAHBA1178.9°90.0°
HAA1CAACBAHBA271.5°90.0°
HAA2CAACBACGA55.7°90.0°
HAA2CAACBAHBA169.5°90.0°
HAA2CAACBAHBA2179.1°90.0°
CGACBAHBA1HBA2114.8°90.0°
CBACGAO1AO2A178.2°90.0°
CBACGAO2AH2A180.0°90.0°
HBA1CBACGAO1A5.2°90.0°
HBA1CBACGAO2A176.5°90.0°
HBA2CBACGAO1A104.3°90.0°
HBA2CBACGAO2A73.9°90.0°
O1ACGAO2AH2A1.8°90.0°
NBC1BC2BC3B2.8°90.0°
NBC1BC2BCMB168.2°90.0°
C1BNBC4BC3B0.6°90.0°
C4BNBC1BC2B1.3°90.0°
NBC4BC3BC2B2.4°90.0°
NBC4BC3BCAB175.9°90.0°
C1BC2BC3BCMB171.5°90.0°
C1BC2BC3BC4B3.0°90.0°
C1BC2BC3BCAB176.6°90.0°
C1BC2BCMBHMB1180.0°90.0°
C1BC2BCMBHMB254.7°90.0°
C1BC2BCMBHMB354.7°90.0°
C2BC3BC4BCAB173.6°90.0°
C3BC2BCMBHMB110.2°90.0°
C3BC2BCMBHMB2135.5°90.0°
C3BC2BCMBHMB3115.1°90.0°
C2BC3BCABCBB90.9°90.0°
C2BC3BCABHAB89.1°90.0°
CMBC2BC3BC4B168.5°90.0°
CMBC2BC3BCAB5.1°90.0°
C2BCMBHMB1HMB2125.3°90.0°
C2BCMBHMB1HMB3125.3°90.0°
C2BCMBHMB2HMB3111.0°90.0°
C4BC3BCABCBB81.4°90.0°
C4BC3BCABHAB98.6°90.0°
C3BCABCBBHAB180.0°90.0°
C3BCABCBBHBB10.0°90.0°
C3BCABCBBHBB2180.0°90.0°
HMB1CMBHMB2HMB3111.0°90.0°
CABCBBHBB1HBB2180.0°90.0°
HABCABCBBHBB1180.0°90.0°
HABCABCBBHBB20.0°90.0°
C1CNCC4CHNC125.3°90.0°
NCC1CC2CC3C11.1°90.0°
NCC1CC2CCMC164.3°90.0°
C1CNCC4CC3C5.1°90.0°
C4CNCC1CC2C3.4°90.0°
NCC4CC3CC2C11.9°90.0°
NCC4CC3CCAC145.1°90.0°
HNCNCC1CC2C128.7°90.0°
HNCNCC4CC3C120.3°90.0°
C1CC2CC3CCMC175.2°90.0°
C1CC2CC3CC4C13.3°90.0°
C1CC2CC3CCAC144.6°90.0°
C1CC2CCMCHMC1180.0°90.0°
C1CC2CCMCHMC254.8°90.0°
C1CC2CCMCHMC354.7°90.0°
C2CC3CC4CCAC157.0°90.0°
C3CC2CCMCHMC15.6°90.0°
C3CC2CCMCHMC2130.8°90.0°
C3CC2CCMCHMC3119.7°90.0°
C2CC3CCACCBC54.5°90.0°
C2CC3CCACHAC125.5°90.0°
CMCC2CC3CC4C161.9°90.0°
CMCC2CC3CCAC40.2°90.0°
C2CCMCHMC1HMC2125.2°90.0°
C2CCMCHMC1HMC3125.3°90.0°
C2CCMCHMC2HMC3112.4°90.0°
C4CC3CCACCBC98.5°90.0°
C4CC3CCACHAC81.5°90.0°
C3CCACCBCHAC180.0°90.0°
C3CCACCBCHBC10.0°90.0°
C3CCACCBCHBC2180.0°90.0°
HMC1CMCHMC2HMC3112.5°90.0°
CACCBCHBC1HBC2180.0°90.0°
HACCACCBCHBC1180.0°90.0°
HACCACCBCHBC20.0°90.0°
NDC1DC2DC3D1.5°90.0°
NDC1DC2DCMD178.7°90.0°
C1DNDC4DC3D1.1°90.0°
C4DNDC1DC2D1.6°90.0°
NDC4DC3DC2D0.3°90.0°
NDC4DC3DCAD175.1°90.0°
C1DC2DC3DCMD179.8°90.0°
C1DC2DC3DC4D0.7°90.0°
C1DC2DC3DCAD174.7°90.0°
C1DC2DCMDHMD1180.0°90.0°
C1DC2DCMDHMD254.7°90.0°
C1DC2DCMDHMD354.8°90.0°
C2DC3DC4DCAD174.9°90.0°
C3DC2DCMDHMD10.2°90.0°
C3DC2DCMDHMD2125.5°90.0°
C3DC2DCMDHMD3125.0°90.0°
C2DC3DCADCBD70.5°90.0°
C2DC3DCADHAD154.7°90.0°
C2DC3DCADHAD2164.2°90.0°
CMDC2DC3DC4D179.5°90.0°
CMDC2DC3DCAD5.1°90.0°
C2DCMDHMD1HMD2125.3°90.0°
C2DCMDHMD1HMD3125.2°90.0°
C2DCMDHMD2HMD3111.1°90.0°
C4DC3DCADCBD115.3°90.0°
C4DC3DCADHAD1119.4°90.0°
C4DC3DCADHAD29.9°90.0°
C3DCADCBDHAD1125.3°90.0°
C3DCADCBDHAD2125.3°90.0°
C3DCADHAD1HAD2114.2°90.0°
C3DCADCBDCGD173.1°90.0°
C3DCADCBDHBD161.7°90.0°
C3DCADCBDHBD247.9°90.0°
HMD1CMDHMD2HMD3111.1°90.0°
CBDCADHAD1HAD2114.1°90.0°
CADCBDCGDHBD1125.2°90.0°
CADCBDCGDHBD2125.2°90.0°
CADCBDHBD1HBD2117.4°90.0°
CADCBDCGDO1D108.0°90.0°
CADCBDCGDO2D71.4°90.0°
HAD1CADCBDCGD47.8°90.0°
HAD1CADCBDHBD1173.0°90.0°
HAD1CADCBDHBD277.4°90.0°
HAD2CADCBDCGD61.6°90.0°
HAD2CADCBDHBD163.6°90.0°
HAD2CADCBDHBD2173.2°90.0°
CGDCBDHBD1HBD2117.4°90.0°
CBDCGDO1DO2D179.4°90.0°
CBDCGDO2DH2D180.0°90.0°
HBD1CBDCGDO1D126.7°90.0°
HBD1CBDCGDO2D53.8°90.0°
HBD2CBDCGDO1D17.2°90.0°
HBD2CBDCGDO2D163.3°90.0°
O1DCGDO2DH2D0.5°90.0°

221716

PDB entries from 2024-06-26

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