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58Q

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAPCANsing1.53Å1.54Å
CAPNBNsing1.47Å1.47Å
CANCBMsing1.53Å1.51Å
CARNBNsing1.47Å1.49Å
CARCBHsing1.51Å1.50Å
OAZCAAsing1.43Å1.45Å
OAZCBFsing1.36Å1.37Å
NBNCAQsing1.47Å1.49Å
FAFCBPsing1.40Å1.29Å
CBHCBFdoub1.39Å1.40ÅAromatic
CBHCBCsing1.36Å1.42ÅAromatic
CBFCAMsing1.38Å1.42ÅAromatic
CBMNAXsing1.47Å1.49Å
CBMCAOsing1.53Å1.54Å
NAUNAYsing1.40Å1.22ÅAromatic
NAUCAIsing1.35Å1.35ÅAromatic
NAYCAJdoub1.31Å1.35ÅAromatic
N1C2doub1.32Å1.41ÅAromatic
N1C6sing1.32Å1.35ÅAromatic
CABCBCsing1.51Å1.42Å
C2N3sing1.31Å1.37ÅAromatic
NAXC6sing1.38Å1.39Å
CBCCBIdoub1.40Å1.38ÅAromatic
FAECBPsing1.40Å1.39Å
CAQCAOsing1.53Å1.49Å
C6C5doub1.42Å1.41ÅAromatic
CAMCBLdoub1.39Å1.33ÅAromatic
CAICBBdoub1.35Å1.32ÅAromatic
CBPFADsing1.40Å1.29Å
CBPCATsing1.53Å1.56Å
N3C4doub1.34Å1.36ÅAromatic
CAJCBBsing1.40Å1.32ÅAromatic
C5C4sing1.40Å1.40ÅAromatic
C5CALsing1.45Å1.35ÅAromatic
C4SBAsing1.76Å1.67ÅAromatic
CBICBLsing1.41Å1.37ÅAromatic
CBICAKsing1.42Å1.38ÅAromatic
CBLNBOsing1.38Å1.38ÅAromatic
CALCBEdoub1.32Å1.37ÅAromatic
CBBCASsing1.51Å1.51Å
SBACBEsing1.75Å1.70ÅAromatic
CBECATsing1.51Å1.55Å
CAKCBDdoub1.36Å1.36ÅAromatic
NBOCASsing1.47Å1.47Å
NBOCBDsing1.38Å1.34ÅAromatic
CBDCAGsing1.43Å1.45Å
CAGNACtrip1.14Å1.11Å
CATH1sing1.09Å1.10Å
CATH2sing1.09Å1.10Å
CALH3sing1.08Å1.08Å
C2H4sing1.08Å1.08Å
NAXH5sing0.97Å1.00Å
CBMH6sing1.09Å1.10Å
CAOH7sing1.09Å1.10Å
CAOH8sing1.09Å1.10Å
CAQH9sing1.09Å1.10Å
CAQH10sing1.09Å1.10Å
CANH11sing1.09Å1.10Å
CANH12sing1.09Å1.10Å
CAPH13sing1.09Å1.10Å
CAPH14sing1.09Å1.10Å
CARH16sing1.09Å1.10Å
CARH17sing1.09Å1.10Å
CABH18sing1.09Å1.10Å
CABH19sing1.09Å1.10Å
CABH20sing1.09Å1.10Å
CAAH21sing1.09Å1.10Å
CAAH22sing1.09Å1.10Å
CAAH23sing1.09Å1.10Å
CAMH24sing1.08Å1.08Å
CAKH25sing1.08Å1.08Å
CASH26sing1.09Å1.10Å
CASH27sing1.09Å1.10Å
CAIH28sing1.08Å1.08Å
NAUH29sing0.97Å1.00Å
CAJH30sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CANCAPNBN110.5°109.5°
CAPCANCBM108.6°109.3°
CAPCANH11109.7°109.5°
CAPCANH12109.7°109.5°
CANCAPH13109.2°109.5°
CANCAPH14109.2°109.5°
CAPNBNCAR106.5°111.0°
CAPNBNCAQ106.3°111.2°
NBNCAPH13109.2°109.4°
NBNCAPH14109.2°109.5°
CANCBMNAX105.5°109.5°
CANCBMCAO107.0°109.2°
CANCBMH6111.9°109.5°
CBMCANH11109.7°109.5°
CBMCANH12109.7°109.6°
NBNCARCBH115.1°109.5°
CARNBNCAQ107.8°111.0°
NBNCARH16108.1°109.5°
NBNCARH17108.1°109.5°
CARCBHCBF119.9°119.7°
CARCBHCBC123.5°119.7°
CBHCARH16108.1°109.5°
CBHCARH17108.0°109.5°
CAAOAZCBF122.3°117.0°
OAZCAAH21109.5°109.5°
OAZCAAH22109.5°109.5°
OAZCAAH23109.5°109.5°
OAZCBFCBH115.4°119.8°
OAZCBFCAM124.2°119.7°
NBNCAQCAO107.2°109.5°
NBNCAQH9110.0°109.5°
NBNCAQH10110.0°109.5°
FAFCBPFAE103.9°109.5°
FAFCBPFAD110.8°109.5°
FAFCBPCAT115.1°109.4°
CBFCBHCBC116.2°120.6°
CBHCBFCAM120.4°120.5°
CBHCBCCAB121.3°120.1°
CBHCBCCBI121.1°119.9°
CBFCAMCBL121.0°119.8°
CBFCAMH24119.5°120.1°
NAXCBMCAO108.3°109.5°
CBMNAXC6122.7°120.0°
CBMNAXH5106.1°120.0°
NAXCBMH6112.3°109.5°
CBMCAOCAQ113.7°109.3°
CAOCBMH6111.5°109.5°
CBMCAOH7108.4°109.5°
CBMCAOH8108.4°109.5°
NAYNAUCAI109.7°107.9°
NAUNAYCAJ108.4°108.2°
NAYNAUH29125.1°126.1°
NAUCAICBB107.7°107.8°
NAUCAIH28126.2°126.1°
CAINAUH29125.2°126.0°
NAYCAJCBB108.6°108.2°
NAYCAJH30125.7°125.8°
C2N1C6120.1°121.2°
N1C2N3118.1°122.1°
N1C2H4121.0°118.9°
N1C6NAX116.9°120.5°
N1C6C5121.6°119.0°
CABCBCCBI117.6°120.0°
CBCCABH18109.5°109.5°
CBCCABH19109.5°109.5°
CBCCABH20109.5°109.5°
C2N3C4122.3°121.0°
N3C2H4120.9°118.9°
NAXC6C5121.5°120.5°
C6NAXH5106.1°120.0°
CBCCBICBL120.8°119.7°
CBCCBICAK132.4°133.3°
FAECBPFAD105.8°109.5°
FAECBPCAT109.8°109.5°
CAQCAOH7108.4°109.5°
CAQCAOH8108.4°109.6°
CAOCAQH9110.0°109.5°
CAOCAQH10110.0°109.4°
C6C5C4117.2°117.5°
C6C5CAL131.6°130.5°
CAMCBLCBI120.3°119.5°
CAMCBLNBO130.5°133.1°
CBLCAMH24119.5°120.1°
CAICBBCAJ105.6°107.9°
CAICBBCAS126.7°126.1°
CBBCAIH28126.1°126.2°
FADCBPCAT110.8°109.5°
CBPCATCBE108.5°109.5°
CBPCATH1109.7°109.5°
CBPCATH2109.7°109.4°
N3C4C5120.6°119.2°
N3C4SBA129.3°131.2°
CAJCBBCAS127.6°126.0°
CBBCAJH30125.7°126.0°
C4C5CAL111.2°112.0°
C5C4SBA110.1°109.6°
C5CALCBE117.1°114.8°
C5CALH3121.4°122.6°
C4SBACBE94.7°92.2°
CBLCBICAK106.8°107.0°
CBICBLNBO109.2°107.4°
CBICAKCBD107.6°107.7°
CBICAKH25126.2°126.1°
CBLNBOCAS124.9°125.6°
CBLNBOCBD106.4°108.7°
CALCBESBA106.9°111.4°
CALCBECAT125.7°124.3°
CBECALH3121.5°122.6°
CBBCASNBO109.5°109.4°
CBBCASH26109.5°109.5°
CBBCASH27109.5°109.5°
SBACBECAT127.4°124.3°
CBECATH1109.7°109.5°
CBECATH2109.7°109.5°
CAKCBDNBO110.0°109.2°
CAKCBDCAG129.6°125.4°
CBDCAKH25126.2°126.2°
CASNBOCBD128.8°125.7°
NBOCASH26109.4°109.4°
NBOCASH27109.5°109.5°
NBOCBDCAG120.3°125.4°
CBDCAGNAC179.4°180.0°
H1CATH2109.4°109.5°
H7CAOH8109.5°109.5°
H9CAQH10109.5°109.5°
H11CANH12109.5°109.5°
H13CAPH14109.5°109.5°
H16CARH17109.5°109.5°
H18CABH19109.5°109.5°
H18CABH20109.4°109.4°
H19CABH20109.5°109.5°
H21CAAH22109.5°109.5°
H21CAAH23109.4°109.5°
H22CAAH23109.4°109.4°
H26CASH27109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CANCAPNBNH13120.1°120.0°
CANCAPNBNH14120.1°120.0°
CAPCANCBMH11119.9°119.9°
CAPCANCBMH12119.9°120.0°
CANCAPNBNCAR177.7°174.2°
CANCAPNBNCAQ67.6°61.8°
CAPCANCBMNAX168.9°177.6°
CAPCANCBMCAO53.7°57.6°
CAPCANCBMH668.8°62.3°
CAPCANH11H12120.4°120.0°
CANCAPH13H14119.5°120.0°
NBNCAPCANCBM63.4°59.2°
CAPNBNCARCAQ113.7°124.2°
CAPNBNCARCBH176.0°170.0°
CAPNBNCAQCAO64.6°61.8°
CAPNBNCAQH9175.7°58.2°
CAPNBNCAQH1055.0°178.2°
NBNCAPCANH11176.7°60.8°
NBNCAPCANH1256.4°179.2°
NBNCAPH13H14119.6°120.0°
CAPNBNCARH1655.2°50.0°
CAPNBNCARH1763.2°70.0°
CANCBMNAXCAO114.2°119.7°
CANCBMNAXH6122.2°120.2°
CANCBMCAOH6122.7°119.9°
CANCBMNAXC6120.7°85.3°
CANCBMCAOCAQ56.1°57.6°
CANCBMNAXH51.1°94.7°
CANCBMCAOH7176.7°177.6°
CANCBMCAOH864.5°62.4°
CBMCANH11H12120.4°120.2°
CBMCANCAPH13176.4°179.1°
CBMCANCAPH1456.7°60.8°
NBNCARCBHH16120.8°120.0°
NBNCARCBHH17120.8°120.0°
NBNCARCBHCBF72.4°90.0°
NBNCARCBHCBC115.3°89.7°
CARNBNCAQCAO178.4°174.2°
CARNBNCAQH961.9°65.8°
CARNBNCAQH1058.8°54.2°
CARNBNCAPH1357.6°54.2°
CARNBNCAPH1462.2°65.8°
NBNCARH16H17117.4°120.0°
CARCBHCBFOAZ5.8°0.0°
CBHCARNBNCAQ70.3°65.8°
CARCBHCBFCBC172.8°179.7°
CARCBHCBFCAM177.4°180.0°
CARCBHCBCCAB6.3°0.0°
CARCBHCBCCBI174.6°180.0°
CBHCARH16H17117.4°120.0°
CAAOAZCBFCBH174.8°180.0°
CAAOAZCBFCAM1.9°0.0°
OAZCAAH21H22120.0°120.0°
OAZCAAH21H23120.0°120.0°
OAZCAAH22H23120.0°120.0°
OAZCBFCBHCAM176.8°180.0°
OAZCBFCBHCBC178.6°179.7°
OAZCBFCAMCBL178.8°180.0°
CBFOAZCAAH21180.0°60.0°
CBFOAZCAAH2260.0°60.1°
CBFOAZCAAH2360.0°180.0°
OAZCBFCAMH241.2°0.0°
NBNCAQCAOCBM61.5°59.2°
NBNCAQCAOH9119.7°120.1°
NBNCAQCAOH10119.6°120.0°
NBNCAQCAOH7177.8°179.1°
NBNCAQCAOH859.1°60.8°
NBNCAQH9H10121.0°120.0°
CAQNBNCAPH13172.2°178.2°
CAQNBNCAPH1452.5°58.2°
CAQNBNCARH16168.8°174.2°
CAQNBNCARH1750.5°54.2°
FAFCBPFAEFAD116.8°120.0°
FAFCBPFAECAT123.6°119.9°
FAFCBPFADCAT129.1°120.0°
FAFCBPCATCBE56.2°180.0°
FAFCBPCATH1176.1°60.0°
FAFCBPCATH263.6°60.0°
CBFCBHCBCCAB178.9°179.7°
CBFCBHCBCCBI2.0°0.3°
CBHCBFCAMCBL4.7°0.0°
CBFCBHCARH1648.4°30.0°
CBFCBHCARH17166.8°150.0°
CBHCBFCAMH24175.3°180.0°
CBCCBHCBFCAM4.6°0.3°
CBHCBCCABCBI179.1°180.0°
CBHCBCCBICBL0.6°0.0°
CBHCBCCBICAK179.9°180.0°
CBCCBHCARH16123.9°150.3°
CBCCBHCARH175.5°30.3°
CBHCBCCABH1889.5°90.0°
CBHCBCCABH19150.5°150.0°
CBHCBCCABH2030.5°30.0°
CBFCAMCBLH24180.0°180.0°
CBFCAMCBLCBI2.0°0.3°
CBFCAMCBLNBO176.7°180.0°
NAXCBMCAOH6124.0°120.1°
CBMNAXC6N10.3°0.0°
CBMNAXC6H5121.8°180.0°
NAXCBMCAOCAQ169.4°177.6°
CBMNAXC6C5179.8°179.9°
NAXCBMCAOH770.0°62.4°
NAXCBMCAOH848.7°57.6°
NAXCBMCANH1171.2°57.7°
NAXCBMCANH1249.0°62.4°
CAOCBMNAXC6125.0°155.0°
CBMCAOCAQH7120.6°119.9°
CBMCAOCAQH8120.6°120.0°
CAOCBMNAXH5113.1°25.0°
CBMCAOH7H8118.1°120.0°
CBMCAOCAQH9178.8°60.9°
CBMCAOCAQH1058.1°179.2°
CAOCBMCANH11173.6°62.3°
CAOCBMCANH1266.1°177.6°
NAYNAUCAIH29180.0°179.8°
NAYNAUCAICBB0.1°0.0°
NAUNAYCAJCBB2.1°0.4°
NAYNAUCAIH28179.9°180.0°
NAUNAYCAJH30177.9°180.0°
CAINAUNAYCAJ1.2°0.3°
NAUCAICBBH28180.0°180.0°
NAUCAICBBCAJ1.4°0.3°
NAUCAICBBCAS178.9°180.0°
NAYCAJCBBCAI2.1°0.4°
NAYCAJCBBH30180.0°179.6°
NAYCAJCBBCAS179.6°179.8°
CAJNAYNAUH29178.8°180.0°
N1C2N3H4180.0°179.8°
C2N1C6NAX177.5°180.0°
C2N1C6C52.5°0.0°
N1C2N3C40.5°0.5°
C6N1C2N31.4°0.2°
N1C6NAXC5180.0°179.9°
N1C6C5C41.6°0.1°
N1C6C5CAL177.4°179.9°
C6N1C2H4178.5°180.0°
N1C6NAXH5122.1°180.0°
CABCBCCBICBL178.6°180.0°
CABCBCCBICAK0.8°0.0°
CBCCABH18H19120.0°120.0°
CBCCABH18H20120.0°120.0°
CBCCABH19H20120.0°120.0°
C2N3C4C51.3°0.4°
C2N3C4SBA179.1°179.9°
NAXC6C5C4178.3°180.0°
NAXC6C5CAL2.7°0.1°
C6NAXCBMH61.5°34.9°
CBCCBICBLCAM0.6°0.3°
CBCCBICBLCAK179.5°180.0°
CBCCBICBLNBO179.6°180.0°
CBCCBICAKCBD179.5°179.9°
CBICBCCABH1889.6°90.0°
CBICBCCABH1930.4°30.0°
CBICBCCABH20150.4°150.0°
CBCCBICAKH250.5°0.0°
FAECBPFADCAT118.9°120.0°
FAECBPCATCBE60.6°60.0°
FAECBPCATH159.3°60.0°
FAECBPCATH2179.6°180.0°
CAQCAOCBMH666.6°62.3°
CAQCAOH7H8118.0°120.2°
CAOCAQH9H10121.0°119.9°
C6C5C4N30.3°0.2°
C6C5C4CAL179.2°179.9°
C6C5C4SBA180.0°179.9°
C6C5CALCBE179.0°179.9°
C6C5CALH31.0°0.1°
C5C6NAXH557.9°0.1°
CAMCBLCBINBO178.9°179.8°
CAMCBLCBICAK179.9°179.7°
CAMCBLNBOCAS0.5°0.0°
CAMCBLNBOCBD179.8°179.6°
CAICBBCAJCAS177.5°179.7°
CAICBBCASNBO136.5°90.0°
CAICBBCASH2616.5°30.0°
CAICBBCASH27103.4°150.0°
CBBCAINAUH29179.9°179.8°
CAICBBCAJH30177.9°180.0°
FADCBPCATCBE177.0°60.0°
FADCBPCATH157.1°180.0°
FADCBPCATH263.1°60.0°
CBPCATCBECAL97.7°90.1°
CBPCATCBESBA80.4°90.0°
CBPCATCBEH1119.9°120.1°
CBPCATCBEH2119.9°119.9°
CBPCATH1H2120.4°120.0°
N3C4C5SBA179.7°179.8°
N3C4C5CAL179.5°179.7°
N3C4SBACBE179.2°179.7°
C4N3C2H4179.6°179.7°
CAJCBBCASNBO46.5°90.3°
CAJCBBCASH26166.5°149.7°
CAJCBBCASH2773.5°29.7°
CAJCBBCAIH28178.6°179.7°
C4C5CALCBE0.0°0.0°
C5C4SBACBE1.1°0.0°
C4C5CALH3180.0°180.0°
CALC5C4SBA0.8°0.0°
C5CALCBEH3180.0°180.0°
C5CALCBESBA0.8°0.0°
C5CALCBECAT177.6°180.0°
C4SBACBECAL1.1°0.0°
C4SBACBECAT177.3°180.0°
CBLCBICAKCBD0.1°0.0°
CBICBLNBOCAS179.3°179.7°
CBICBLNBOCBD1.4°0.1°
CBICBLCAMH24178.0°179.7°
CBLCBICAKH25179.9°180.0°
CAKCBICBLNBO0.9°0.1°
CBICAKCBDH25180.0°180.0°
CBICAKCBDNBO0.8°0.1°
CBICAKCBDCAG179.1°180.0°
CBLNBOCASCBB95.3°90.0°
CBLNBOCBDCAK1.4°0.2°
CBLNBOCASCBD179.1°179.5°
CBLNBOCBDCAG179.8°179.9°
NBOCBLCAMH243.3°0.0°
CBLNBOCASH2624.7°150.0°
CBLNBOCASH27144.7°30.0°
CALCBESBACAT178.4°180.0°
CALCBECATH1142.4°30.0°
CALCBECATH222.1°150.0°
CBBCASNBOH26120.0°119.9°
CBBCASNBOH27120.0°120.0°
CBBCASNBOCBD85.6°90.5°
CBBCASH26H27120.0°120.0°
CASCBBCAIH281.1°0.0°
CASCBBCAJH300.5°0.2°
SBACBECATH139.5°150.0°
SBACBECATH2159.8°30.0°
SBACBECALH3179.2°180.0°
CBECATH1H2120.5°120.0°
CATCBECALH32.4°0.0°
CAKCBDNBOCAS179.4°179.7°
CAKCBDNBOCAG178.4°179.9°
CAKCBDCAGNAC121.6°46.9°
CASNBOCBDCAG1.0°0.4°
NBOCASH26H27120.0°120.0°
NBOCBDCAGNAC56.5°133.0°
NBOCBDCAKH25179.2°179.9°
CBDNBOCASH26154.4°29.5°
CBDNBOCASH2734.4°149.5°
CAGCBDCAKH251.0°0.0°
H5NAXCBMH6123.3°145.2°
H6CBMCAOH754.0°57.7°
H6CBMCAOH8172.8°177.7°
H6CBMCANH1151.1°177.8°
H6CBMCANH12171.4°57.7°
H7CAOCAQH958.1°59.1°
H7CAOCAQH1062.5°60.9°
H8CAOCAQH960.6°179.2°
H8CAOCAQH10178.7°59.2°
H11CANCAPH1356.5°59.2°
H11CANCAPH1463.2°179.2°
H12CANCAPH1363.7°60.9°
H12CANCAPH14176.6°59.2°
H18CABH19H20119.9°119.9°
H21CAAH22H23119.9°120.0°
H28CAINAUH290.1°0.3°

223532

PDB entries from 2024-08-07

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