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BLA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CHAC1Asing1.40Å1.40Å
CHAC4Ddoub1.40Å1.43Å
CHAHHAsing1.08Å1.10Å
NAC1Asing1.38Å1.38ÅAromatic
NAC4Asing1.37Å1.36ÅAromatic
NAHAsing0.97Å1.02Å
C1AC2Adoub1.40Å1.48ÅAromatic
C2AC3Asing1.38Å1.36ÅAromatic
C2ACAAsing1.51Å1.53Å
C3AC4Adoub1.40Å1.46ÅAromatic
C3ACMAsing1.51Å1.51Å
C4ACHBsing1.41Å1.41Å
CMAHMA1sing1.09Å1.11Å
CMAHMA2sing1.09Å1.12Å
CMAHMA3sing1.09Å1.11Å
CAACBAsing1.53Å1.57Å
CAAHAA1sing1.09Å1.11Å
CAAHAA2sing1.09Å1.12Å
CBACGAsing1.51Å1.53Å
CBAHBA1sing1.09Å1.11Å
CBAHBA2sing1.09Å1.12Å
CGAO1Adoub1.21Å1.25Å
CGAO2Asing1.34Å1.38Å
O2AH2Asing0.97Å0.95Å
CHBC1Bdoub1.38Å1.40Å
CHBHHBsing1.08Å1.10Å
NBC1Bsing1.39Å1.37Å
NBC4Bsing1.35Å1.37Å
NBHBsing0.97Å1.02Å
C1BC2Bsing1.41Å1.50Å
C2BC3Bdoub1.38Å1.39Å
C2BCMBsing1.51Å1.53Å
C3BC4Bsing1.47Å1.45Å
C3BCABsing1.47Å1.39Å
C4BOBdoub1.22Å1.23Å
CMBHMB1sing1.09Å1.11Å
CMBHMB2sing1.09Å1.12Å
CMBHMB3sing1.09Å1.11Å
CABCBBdoub1.33Å1.39Å
CABHABsing1.08Å1.10Å
CBBHBB1sing1.08Å1.10Å
CBBHBB2sing1.08Å1.10Å
NCC1Csing1.34Å1.39Å
NCC4Csing1.39Å1.37Å
NCHCsing0.97Å1.02Å
C1CC2Csing1.40Å1.43Å
C1COCdoub1.22Å1.24Å
C2CC3Cdoub1.39Å1.35Å
C2CCMCsing1.51Å1.54Å
C3CC4Csing1.47Å1.53Å
C3CCACsing1.47Å1.40Å
C4CCHDdoub1.36Å1.40Å
CMCHMC1sing1.09Å1.11Å
CMCHMC2sing1.09Å1.12Å
CMCHMC3sing1.09Å1.11Å
CACCBCdoub1.33Å1.44Å
CACHACsing1.08Å1.10Å
CBCHBC1sing1.08Å1.10Å
CBCHBC2sing1.08Å1.10Å
CHDC1Dsing1.46Å1.39Å
CHDHHDsing1.08Å1.10Å
NDC1Ddoub1.33Å1.38Å
NDC4Dsing1.34Å1.38Å
C1DC2Dsing1.42Å1.45Å
C2DC3Ddoub1.36Å1.36Å
C2DCMDsing1.51Å1.53Å
C3DC4Dsing1.42Å1.44Å
C3DCADsing1.51Å1.51Å
CMDHMD1sing1.09Å1.12Å
CMDHMD2sing1.09Å1.12Å
CMDHMD3sing1.09Å1.11Å
CADCBDsing1.53Å1.55Å
CADHAD1sing1.09Å1.12Å
CADHAD2sing1.09Å1.12Å
CBDCGDsing1.51Å1.52Å
CBDHBD1sing1.09Å1.12Å
CBDHBD2sing1.09Å1.12Å
CGDO1Ddoub1.21Å1.24Å
CGDO2Dsing1.34Å1.37Å
O2DH2Dsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1ACHAC4D127.7°119.9°
C1ACHAHHA115.1°120.1°
CHAC1ANA122.4°126.1°
CHAC1AC2A126.7°126.0°
C4DCHAHHA117.2°120.0°
CHAC4DND125.0°125.9°
CHAC4DC3D125.1°125.8°
C1ANAC4A106.4°108.4°
C1ANAHA127.3°125.7°
NAC1AC2A110.6°107.9°
C4ANAHA126.3°125.9°
NAC4AC3A109.8°108.3°
NAC4ACHB123.6°125.9°
C1AC2AC3A104.7°107.6°
C1AC2ACAA127.7°126.2°
C3AC2ACAA127.4°126.2°
C2AC3AC4A108.4°107.8°
C2AC3ACMA127.3°126.1°
C2ACAACBA113.1°109.5°
C2ACAAHAA1110.9°109.4°
C2ACAAHAA2110.9°109.5°
C4AC3ACMA124.1°126.1°
C3AC4ACHB126.6°125.8°
C3ACMAHMA1127.4°109.5°
C3ACMAHMA2105.9°109.4°
C3ACMAHMA3105.9°109.5°
C4ACHBC1B128.1°120.0°
C4ACHBHHB116.2°120.0°
HMA1CMAHMA2105.9°109.5°
HMA1CMAHMA3106.0°109.5°
HMA2CMAHMA3103.4°109.4°
CBACAAHAA1110.9°109.4°
CBACAAHAA2110.9°109.5°
CAACBACGA115.8°109.5°
CAACBAHBA1109.9°109.4°
CAACBAHBA2109.9°109.4°
HAA1CAAHAA299.4°109.5°
CGACBAHBA1109.9°109.5°
CGACBAHBA2109.9°109.5°
CBACGAO1A125.2°120.0°
CBACGAO2A115.3°120.0°
HBA1CBAHBA2100.3°109.5°
O1ACGAO2A118.3°120.0°
CGAO2AH2A115.3°120.1°
C1BCHBHHB115.7°120.0°
CHBC1BNB121.0°125.5°
CHBC1BC2B127.6°125.5°
C1BNBC4B104.5°109.2°
C1BNBHB127.7°125.4°
NBC1BC2B111.3°109.0°
C4BNBHB127.9°125.4°
NBC4BC3B113.8°107.6°
NBC4BOB121.6°126.2°
C1BC2BC3B105.5°107.5°
C1BC2BCMB126.6°126.3°
C3BC2BCMB127.9°126.2°
C2BC3BC4B104.9°106.7°
C2BC3BCAB134.3°126.6°
C2BCMBHMB1126.6°109.5°
C2BCMBHMB2106.2°109.4°
C2BCMBHMB3106.2°109.5°
C4BC3BCAB120.8°126.6°
C3BC4BOB124.5°126.2°
C3BCABCBB126.3°120.0°
C3BCABHAB116.8°120.0°
HMB1CMBHMB2106.2°109.5°
HMB1CMBHMB3106.2°109.5°
HMB2CMBHMB3103.3°109.4°
CBBCABHAB116.8°120.0°
CABCBBHBB1116.8°120.0°
CABCBBHBB2126.3°120.0°
HBB1CBBHBB2116.9°120.0°
C1CNCC4C105.4°109.1°
C1CNCHC127.9°125.4°
NCC1CC2C112.4°110.2°
NCC1COC125.0°124.9°
C4CNCHC126.6°125.4°
NCC4CC3C108.7°106.7°
NCC4CCHD121.6°126.6°
C2CC1COC122.6°124.9°
C1CC2CC3C106.6°108.0°
C1CC2CCMC122.7°126.0°
C3CC2CCMC130.0°126.0°
C2CC3CC4C106.4°106.1°
C2CC3CCAC120.0°127.0°
C2CCMCHMC1122.7°109.4°
C2CCMCHMC2107.5°109.5°
C2CCMCHMC3107.5°109.5°
C4CC3CCAC132.9°127.0°
C3CC4CCHD129.7°126.7°
C3CCACCBC129.7°120.0°
C3CCACHAC113.6°120.1°
C4CCHDC1D131.1°120.1°
C4CCHDHHD114.8°120.0°
HMC1CMCHMC2107.5°109.5°
HMC1CMCHMC3107.5°109.5°
HMC2CMCHMC3102.3°109.5°
CBCCACHAC116.7°119.9°
CACCBCHBC1116.7°120.0°
CACCBCHBC2129.8°120.0°
HBC1CBCHBC2113.5°120.0°
C1DCHDHHD114.1°120.0°
CHDC1DND125.9°125.7°
CHDC1DC2D124.3°125.7°
C1DNDC4D106.3°109.5°
NDC1DC2D109.7°108.6°
NDC4DC3D109.7°108.2°
C1DC2DC3D106.9°106.9°
C1DC2DCMD127.2°126.5°
C3DC2DCMD125.9°126.6°
C2DC3DC4D107.4°106.8°
C2DC3DCAD126.4°126.6°
C2DCMDHMD1127.2°109.5°
C2DCMDHMD2106.0°109.5°
C2DCMDHMD3106.0°109.5°
C4DC3DCAD125.9°126.6°
C3DCADCBD107.7°109.5°
C3DCADHAD1112.9°109.5°
C3DCADHAD2112.9°109.5°
HMD1CMDHMD2105.9°109.5°
HMD1CMDHMD3106.0°109.5°
HMD2CMDHMD3103.5°109.4°
CBDCADHAD1112.8°109.4°
CBDCADHAD2112.8°109.5°
CADCBDCGD109.8°109.5°
CADCBDHBD1112.1°109.5°
CADCBDHBD2112.1°109.5°
HAD1CADHAD297.6°109.5°
CGDCBDHBD1112.0°109.5°
CGDCBDHBD2112.1°109.5°
CBDCGDO1D121.5°120.0°
CBDCGDO2D122.6°120.0°
HBD1CBDHBD298.3°109.5°
O1DCGDO2D115.8°120.0°
CGDO2DH2D122.6°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1ACHAC4DHHA180.0°180.0°
CHAC1ANAC2A175.1°179.7°
CHAC1ANAC4A176.1°179.9°
CHAC1ANAHA3.9°0.0°
CHAC1AC2AC3A175.0°179.9°
CHAC1AC2ACAA8.6°0.3°
C1ACHAC4DND1.2°7.4°
C1ACHAC4DC3D176.0°172.3°
C4DCHAC1ANA6.8°10.5°
C4DCHAC1AC2A167.4°169.9°
CHAC4DNDC1D173.4°180.0°
CHAC4DNDC3D175.5°179.8°
CHAC4DC3DC2D174.6°179.8°
CHAC4DC3DCAD1.0°0.2°
HHACHAC1ANA173.2°169.5°
HHACHAC1AC2A12.6°10.2°
HHACHAC4DND178.8°172.6°
HHACHAC4DC3D4.0°7.7°
C1ANAC4AHA180.0°180.0°
NAC1AC2AC3A0.2°0.4°
NAC1AC2ACAA176.6°180.0°
C1ANAC4AC3A1.5°0.0°
C1ANAC4ACHB177.4°180.0°
C4ANAC1AC2A1.0°0.2°
NAC4AC3AC2A1.4°0.3°
NAC4AC3ACHB178.8°179.9°
NAC4AC3ACMA177.6°180.0°
NAC4ACHBC1B7.8°25.9°
NAC4ACHBHHB172.2°154.1°
HANAC1AC2A179.0°179.7°
HANAC4AC3A178.6°180.0°
HANAC4ACHB2.6°0.1°
C1AC2AC3ACAA176.4°179.6°
C1AC2AC3AC4A0.7°0.4°
C1AC2AC3ACMA176.7°179.8°
C1AC2ACAACBA103.9°90.0°
C1AC2ACAAHAA1130.8°150.1°
C1AC2ACAAHAA221.3°30.0°
C2AC3AC4ACMA176.2°179.7°
C2AC3AC4ACHB177.4°179.8°
C2AC3ACMAHMA1180.0°90.2°
C2AC3ACMAHMA254.7°29.8°
C2AC3ACMAHMA354.7°149.7°
C3AC2ACAACBA80.4°90.5°
C3AC2ACAAHAA144.9°29.4°
C3AC2ACAAHAA2154.3°149.5°
CAAC2AC3AC4A175.7°180.0°
CAAC2AC3ACMA0.3°0.2°
C2ACAACBAHAA1125.3°119.9°
C2ACAACBAHAA2125.3°120.0°
C2ACAAHAA1HAA2116.7°120.1°
C2ACAACBACGA49.4°180.0°
C2ACAACBAHBA175.9°60.0°
C2ACAACBAHBA2174.6°60.0°
C4AC3ACMAHMA14.5°90.1°
C4AC3ACMAHMA2120.7°149.9°
C4AC3ACMAHMA3129.8°30.0°
C3AC4ACHBC1B170.9°154.2°
C3AC4ACHBHHB9.1°25.8°
CMAC3AC4ACHB1.2°0.0°
C3ACMAHMA1HMA2125.2°120.0°
C3ACMAHMA1HMA3125.3°120.0°
C3ACMAHMA2HMA3111.2°120.0°
C4ACHBC1BHHB179.9°180.0°
C4ACHBC1BNB6.9°7.1°
C4ACHBC1BC2B176.2°172.7°
HMA1CMAHMA2HMA3111.3°120.0°
CBACAAHAA1HAA2116.8°120.0°
CAACBACGAHBA1125.3°120.0°
CAACBACGAHBA2125.2°120.0°
CAACBAHBA1HBA2115.6°120.0°
CAACBACGAO1A69.2°0.0°
CAACBACGAO2A97.9°180.0°
HAA1CAACBACGA174.7°60.0°
HAA1CAACBAHBA149.4°180.0°
HAA1CAACBAHBA260.1°60.0°
HAA2CAACBACGA75.9°60.0°
HAA2CAACBAHBA1158.8°60.0°
HAA2CAACBAHBA249.4°180.0°
CGACBAHBA1HBA2115.7°120.0°
CBACGAO1AO2A166.8°180.0°
CBACGAO2AH2A180.0°180.0°
HBA1CBACGAO1A165.5°120.0°
HBA1CBACGAO2A27.4°60.0°
HBA2CBACGAO1A56.0°119.9°
HBA2CBACGAO2A136.9°60.1°
O1ACGAO2AH2A12.0°0.0°
CHBC1BNBC2B177.4°179.8°
CHBC1BNBC4B174.9°180.0°
CHBC1BNBHB5.0°0.1°
CHBC1BC2BC3B175.5°179.8°
CHBC1BC2BCMB4.7°0.2°
HHBCHBC1BNB173.0°173.0°
HHBCHBC1BC2B3.9°7.3°
C1BNBC4BHB179.9°180.0°
NBC1BC2BC3B1.6°0.4°
NBC1BC2BCMB178.1°180.0°
C1BNBC4BC3B2.5°0.0°
C1BNBC4BOB176.6°180.0°
C4BNBC1BC2B2.5°0.2°
NBC4BC3BC2B1.6°0.2°
NBC4BC3BOB179.1°180.0°
NBC4BC3BCAB179.3°180.0°
HBNBC1BC2B177.6°179.7°
HBNBC4BC3B177.6°180.0°
HBNBC4BOB3.3°0.0°
C1BC2BC3BCMB179.7°179.6°
C1BC2BC3BC4B0.0°0.4°
C1BC2BC3BCAB179.0°179.8°
C1BC2BCMBHMB1180.0°179.6°
C1BC2BCMBHMB254.8°60.4°
C1BC2BCMBHMB354.7°59.5°
C2BC3BC4BCAB179.2°179.8°
C2BC3BC4BOB177.6°179.8°
C3BC2BCMBHMB10.4°0.0°
C3BC2BCMBHMB2125.6°120.0°
C3BC2BCMBHMB3124.9°120.1°
C2BC3BCABCBB12.0°174.7°
C2BC3BCABHAB167.9°5.3°
CMBC2BC3BC4B179.7°180.0°
CMBC2BC3BCAB1.3°0.2°
C2BCMBHMB1HMB2125.2°120.0°
C2BCMBHMB1HMB3125.3°120.0°
C2BCMBHMB2HMB3111.5°120.0°
C4BC3BCABCBB169.1°5.1°
C4BC3BCABHAB10.9°175.0°
CABC3BC4BOB1.6°0.0°
C3BCABCBBHAB180.0°180.0°
C3BCABCBBHBB10.0°174.3°
C3BCABCBBHBB2179.9°5.6°
HMB1CMBHMB2HMB3111.6°120.0°
CABCBBHBB1HBB2179.9°179.9°
HABCABCBBHBB1179.9°5.7°
HABCABCBBHBB20.0°174.4°
C1CNCC4CHC180.0°179.9°
NCC1CC2COC177.4°179.9°
NCC1CC2CC3C5.5°0.2°
NCC1CC2CCMC165.9°180.0°
C1CNCC4CC3C5.4°0.3°
C1CNCC4CCHD175.3°180.0°
C4CNCC1CC2C6.8°0.1°
C4CNCC1COC170.5°180.0°
NCC4CC3CC2C2.3°0.5°
NCC4CC3CCHD179.2°179.7°
NCC4CC3CCAC168.2°180.0°
NCC4CCHDC1D8.9°1.6°
NCC4CCHDHHD171.1°178.4°
HCNCC1CC2C173.1°179.9°
HCNCC1COC9.5°0.2°
HCNCC4CC3C174.5°179.8°
HCNCC4CCHD4.7°0.1°
C1CC2CC3CCMC170.5°179.7°
C1CC2CC3CC4C1.8°0.4°
C1CC2CC3CCAC173.8°180.0°
C1CC2CCMCHMC1180.0°5.1°
C1CC2CCMCHMC254.8°125.1°
C1CC2CCMCHMC354.8°114.9°
OCC1CC2CC3C172.0°179.7°
OCC1CC2CCMC16.7°0.1°
C2CC3CC4CCAC170.5°179.6°
C2CC3CC4CCHD178.5°179.9°
C3CC2CCMCHMC110.8°174.6°
C3CC2CCMCHMC2114.5°54.6°
C3CC2CCMCHMC3136.0°65.4°
C2CC3CCACCBC156.8°55.3°
C2CC3CCACHAC23.2°124.7°
CMCC2CC3CC4C168.7°179.9°
CMCC2CC3CCAC3.2°0.3°
C2CCMCHMC1HMC2125.2°119.9°
C2CCMCHMC1HMC3125.2°120.0°
C2CCMCHMC2HMC3113.0°120.0°
C4CC3CCACCBC33.8°124.2°
C4CC3CCACHAC146.2°55.8°
C3CC4CCHDC1D170.2°178.8°
C3CC4CCHDHHD9.8°1.3°
CACC3CC4CCHD11.0°0.3°
C3CCACCBCHAC180.0°180.0°
C3CCACCBCHBC10.0°175.3°
C3CCACCBCHBC2180.0°4.7°
C4CCHDC1DHHD179.9°180.0°
C4CCHDC1DND8.8°7.1°
C4CCHDC1DC2D175.4°172.9°
HMC1CMCHMC2HMC3113.1°120.1°
CACCBCHBC1HBC2180.0°179.9°
HACCACCBCHBC1179.9°4.7°
HACCACCBCHBC20.0°175.4°
CHDC1DNDC2D176.3°180.0°
CHDC1DNDC4D173.7°180.0°
CHDC1DC2DC3D174.3°179.7°
CHDC1DC2DCMD7.9°0.0°
HHDCHDC1DND171.1°172.8°
HHDCHDC1DC2D4.7°7.2°
NDC1DC2DC3D2.1°0.3°
NDC1DC2DCMD175.7°180.0°
C1DNDC4DC3D2.1°0.3°
C4DNDC1DC2D2.6°0.0°
NDC4DC3DC2D0.9°0.4°
NDC4DC3DCAD174.5°180.0°
C1DC2DC3DCMD177.9°179.7°
C1DC2DC3DC4D0.7°0.4°
C1DC2DC3DCAD172.9°180.0°
C1DC2DCMDHMD1179.9°0.0°
C1DC2DCMDHMD254.8°120.0°
C1DC2DCMDHMD354.7°120.0°
C2DC3DC4DCAD173.7°179.6°
C3DC2DCMDHMD12.6°179.7°
C3DC2DCMDHMD2127.8°59.6°
C3DC2DCMDHMD3122.7°60.3°
C2DC3DCADCBD76.2°90.0°
C2DC3DCADHAD149.0°150.0°
C2DC3DCADHAD2158.6°30.0°
CMDC2DC3DC4D177.1°179.9°
CMDC2DC3DCAD9.2°0.3°
C2DCMDHMD1HMD2125.2°120.1°
C2DCMDHMD1HMD3125.3°120.0°
C2DCMDHMD2HMD3111.3°120.0°
C4DC3DCADCBD96.3°90.5°
C4DC3DCADHAD1138.5°29.5°
C4DC3DCADHAD228.9°149.5°
C3DCADCBDHAD1125.3°120.0°
C3DCADCBDHAD2125.3°120.0°
C3DCADHAD1HAD2118.9°120.1°
C3DCADCBDCGD177.5°180.0°
C3DCADCBDHBD152.3°60.0°
C3DCADCBDHBD257.2°60.0°
HMD1CMDHMD2HMD3111.3°120.0°
CBDCADHAD1HAD2118.7°120.0°
CADCBDCGDHBD1125.3°120.0°
CADCBDCGDHBD2125.3°120.0°
CADCBDHBD1HBD2118.0°120.0°
CADCBDCGDO1D33.3°0.0°
CADCBDCGDO2D142.6°180.0°
HAD1CADCBDCGD57.2°60.0°
HAD1CADCBDHBD1177.5°180.0°
HAD1CADCBDHBD268.0°60.0°
HAD2CADCBDCGD52.2°60.0°
HAD2CADCBDHBD173.0°60.0°
HAD2CADCBDHBD2177.5°179.9°
CGDCBDHBD1HBD2117.9°120.0°
CBDCGDO1DO2D176.2°180.0°
CBDCGDO2DH2D180.0°180.0°
HBD1CBDCGDO1D158.6°120.0°
HBD1CBDCGDO2D17.3°60.0°
HBD2CBDCGDO1D92.0°120.0°
HBD2CBDCGDO2D92.1°60.0°
O1DCGDO2DH2D3.9°0.0°

220113

PDB entries from 2024-05-22

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