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58R

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAPCANsing1.53Å1.52Å
CAPNBIsing1.47Å1.50Å
CANCBHsing1.53Å1.48Å
CASNBIsing1.47Å1.50Å
CASCAZsing1.51Å1.47Å
NBICAQsing1.47Å1.49Å
FAFCBKsing1.40Å1.30Å
CAZCAIdoub1.39Å1.41ÅAromatic
CAZCAKsing1.36Å1.41ÅAromatic
CBHNAWsing1.47Å1.47Å
CBHCAOsing1.53Å1.53Å
CAICAJsing1.38Å1.42ÅAromatic
N1C2doub1.32Å1.38ÅAromatic
N1C6sing1.32Å1.37ÅAromatic
FAECBKsing1.40Å1.32Å
C2N3sing1.31Å1.37ÅAromatic
NAWC6sing1.38Å1.37Å
CAKCBDdoub1.40Å1.37ÅAromatic
C6C5doub1.42Å1.39ÅAromatic
CBKFADsing1.40Å1.31Å
CBKCATsing1.53Å1.54Å
CAQCAOsing1.53Å1.50Å
N3C4doub1.34Å1.34ÅAromatic
CAJCBGdoub1.39Å1.36ÅAromatic
C5C4sing1.40Å1.38ÅAromatic
C5CAMsing1.45Å1.38ÅAromatic
OCdoub1.21Å1.24Å
C4SAXsing1.76Å1.67ÅAromatic
CAMCBAdoub1.32Å1.39ÅAromatic
CBDCBGsing1.41Å1.36ÅAromatic
CBDCALsing1.42Å1.39ÅAromatic
CBGNsing1.38Å1.38ÅAromatic
NABCsing1.35Å1.34Å
CCAsing1.51Å1.51Å
CBASAXsing1.75Å1.68ÅAromatic
CBACATsing1.51Å1.53Å
CALCBBdoub1.36Å1.34ÅAromatic
NCBBsing1.38Å1.35ÅAromatic
NCAsing1.47Å1.50Å
CBBCAGsing1.43Å1.49Å
CAGNAAtrip1.14Å1.07Å
CATH1sing1.09Å1.10Å
CATH2sing1.09Å1.10Å
CAMH3sing1.08Å1.08Å
C2H4sing1.08Å1.08Å
NAWH5sing0.97Å1.00Å
CBHH6sing1.09Å1.10Å
CAOH7sing1.09Å1.10Å
CAOH8sing1.09Å1.10Å
CAQH9sing1.09Å1.10Å
CAQH10sing1.09Å1.10Å
CANH11sing1.09Å1.10Å
CANH12sing1.09Å1.10Å
CAPH13sing1.09Å1.10Å
CAPH14sing1.09Å1.10Å
CASH16sing1.09Å1.10Å
CASH17sing1.09Å1.10Å
CAKH18sing1.08Å1.08Å
CAIH19sing1.08Å1.08Å
CAJH20sing1.08Å1.08Å
CALH21sing1.08Å1.08Å
CAH22sing1.09Å1.10Å
CAH23sing1.09Å1.10Å
NABH24sing0.97Å1.00Å
NABH25sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CANCAPNBI111.4°109.5°
CAPCANCBH108.2°109.3°
CAPCANH11109.8°109.5°
CAPCANH12109.8°109.5°
CANCAPH13109.0°109.5°
CANCAPH14109.0°109.5°
CAPNBICAS108.6°111.0°
CAPNBICAQ106.5°111.2°
NBICAPH13109.0°109.5°
NBICAPH14109.0°109.5°
CANCBHNAW111.3°109.6°
CANCBHCAO107.6°109.1°
CANCBHH6109.9°109.6°
CBHCANH11109.8°109.5°
CBHCANH12109.8°109.4°
NBICASCAZ113.7°109.5°
CASNBICAQ109.8°111.0°
NBICASH16108.4°109.5°
NBICASH17108.4°109.5°
CASCAZCAI123.0°119.7°
CASCAZCAK118.0°119.7°
CAZCASH16108.4°109.5°
CAZCASH17108.4°109.5°
NBICAQCAO108.3°109.5°
NBICAQH9109.8°109.5°
NBICAQH10109.8°109.5°
FAFCBKFAE105.7°109.5°
FAFCBKFAD108.8°109.4°
FAFCBKCAT113.8°109.4°
CAICAZCAK118.9°120.6°
CAZCAICAJ119.8°120.6°
CAZCAIH19120.1°119.7°
CAZCAKCBD118.5°119.8°
CAZCAKH18120.8°120.1°
NAWCBHCAO108.6°109.5°
CBHNAWC6125.7°120.0°
CBHNAWH5105.3°120.0°
NAWCBHH6110.0°109.5°
CBHCAOCAQ113.6°109.3°
CAOCBHH6109.3°109.5°
CBHCAOH7108.5°109.5°
CBHCAOH8108.4°109.5°
CAICAJCBG118.9°119.9°
CAJCAIH19120.1°119.7°
CAICAJH20120.5°120.1°
C2N1C6116.9°121.2°
N1C2N3123.3°122.2°
N1C2H4118.4°118.9°
N1C6NAW117.2°120.5°
N1C6C5122.2°119.0°
FAECBKFAD110.1°109.5°
FAECBKCAT110.3°109.5°
C2N3C4117.4°121.1°
N3C2H4118.4°119.0°
NAWC6C5120.5°120.5°
C6NAWH5105.3°120.0°
CAKCBDCBG123.0°119.7°
CAKCBDCAL130.3°133.4°
CBDCAKH18120.7°120.0°
C6C5C4117.0°117.6°
C6C5CAM133.5°130.5°
FADCBKCAT108.1°109.4°
CBKCATCBA108.1°109.4°
CBKCATH1109.8°109.4°
CBKCATH2109.8°109.5°
CAQCAOH7108.4°109.5°
CAQCAOH8108.4°109.5°
CAOCAQH9109.7°109.5°
CAOCAQH10109.8°109.5°
N3C4C5123.2°119.1°
N3C4SAX122.9°131.3°
CAJCBGCBD120.6°119.4°
CAJCBGN129.3°133.3°
CBGCAJH20120.6°120.0°
C4C5CAM109.3°112.0°
C5C4SAX113.8°109.7°
C5CAMCBA114.8°114.8°
C5CAMH3122.6°122.6°
OCNAB124.6°120.0°
OCCA120.9°120.0°
C4SAXCBA92.2°92.1°
CAMCBASAX109.8°111.5°
CAMCBACAT125.3°124.3°
CBACAMH3122.6°122.6°
CBGCBDCAL106.6°106.9°
CBDCBGN109.9°107.4°
CBDCALCBB106.8°107.8°
CBDCALH21126.6°126.1°
CBGNCBB104.8°108.8°
CBGNCA125.9°125.6°
NABCCA114.3°120.0°
CNABH24120.0°120.0°
CNABH25120.0°120.0°
CCAN110.0°109.5°
CCAH22109.3°109.5°
CCAH23109.3°109.5°
SAXCBACAT124.8°124.2°
CBACATH1109.8°109.4°
CBACATH2109.8°109.5°
CALCBBN111.9°109.1°
CALCBBCAG129.5°125.4°
CBBCALH21126.6°126.1°
CBBNCA129.3°125.6°
NCBBCAG118.6°125.5°
NCAH22109.4°109.5°
NCAH23109.3°109.5°
CBBCAGNAA179.3°180.0°
H1CATH2109.5°109.5°
H7CAOH8109.5°109.6°
H9CAQH10109.5°109.4°
H11CANH12109.5°109.5°
H13CAPH14109.5°109.5°
H16CASH17109.5°109.5°
H22CAH23109.5°109.5°
H24NABH25120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CANCAPNBIH13120.3°120.0°
CANCAPNBIH14120.3°120.0°
CAPCANCBHH11119.8°120.0°
CAPCANCBHH12119.8°119.9°
CANCAPNBICAS177.4°174.1°
CANCAPNBICAQ64.4°61.8°
CAPCANCBHNAW175.8°177.6°
CAPCANCBHCAO56.8°57.7°
CAPCANCBHH662.1°62.2°
CAPCANH11H12120.6°120.1°
CANCAPH13H14119.1°120.0°
NBICAPCANCBH64.0°59.2°
CAPNBICASCAQ116.1°124.2°
CAPNBICASCAZ178.2°170.0°
CAPNBICAQCAO60.0°61.7°
CAPNBICAQH9179.8°58.3°
CAPNBICAQH1059.8°178.2°
NBICAPCANH11176.3°60.8°
NBICAPCANH1255.8°179.1°
NBICAPH13H14119.1°120.0°
CAPNBICASH1657.5°50.0°
CAPNBICASH1761.2°70.0°
CANCBHNAWCAO118.3°119.7°
CANCBHNAWH6122.1°120.3°
CANCBHCAOH6119.3°120.0°
CANCBHNAWC6107.6°85.3°
CANCBHCAOCAQ57.8°57.7°
CANCBHNAWH514.6°94.6°
CANCBHCAOH7178.4°177.6°
CANCBHCAOH862.8°62.3°
CBHCANH11H12120.6°120.1°
CBHCANCAPH13175.8°179.2°
CBHCANCAPH1456.3°60.8°
NBICASCAZH16120.6°120.0°
NBICASCAZH17120.6°120.0°
NBICASCAZCAI50.6°90.0°
NBICASCAZCAK133.4°89.7°
CASNBICAQCAO177.4°174.2°
CASNBICAQH962.8°65.8°
CASNBICAQH1057.6°54.1°
CASNBICAPH1357.1°54.1°
CASNBICAPH1462.3°65.9°
NBICASH16H17118.1°120.0°
CAZCASNBICAQ65.7°65.8°
CASCAZCAICAK176.0°179.8°
CASCAZCAICAJ179.2°180.0°
CASCAZCAKCBD176.8°180.0°
CAZCASH16H17118.1°120.0°
CASCAZCAKH183.2°0.1°
CASCAZCAIH190.8°0.0°
NBICAQCAOCBH59.7°59.2°
NBICAQCAOH9119.8°120.0°
NBICAQCAOH10119.8°120.0°
NBICAQCAOH7179.7°179.1°
NBICAQCAOH860.9°60.8°
NBICAQH9H10120.6°120.0°
CAQNBICAPH13175.3°178.3°
CAQNBICAPH1455.9°58.3°
CAQNBICASH16173.6°174.2°
CAQNBICASH1754.9°54.2°
FAFCBKFAEFAD117.4°120.0°
FAFCBKFAECAT123.4°120.0°
FAFCBKFADCAT123.9°119.9°
FAFCBKCATCBA55.5°180.0°
FAFCBKCATH1175.2°60.1°
FAFCBKCATH264.3°60.0°
CAZCAICAJH19180.0°180.0°
CAICAZCAKCBD0.6°0.2°
CAZCAICAJCBG6.0°0.0°
CAICAZCASH1670.1°30.0°
CAICAZCASH17171.2°150.0°
CAICAZCAKH18179.4°179.8°
CAZCAICAJH20174.0°179.9°
CAKCAZCAICAJ3.2°0.2°
CAZCAKCBDH18180.0°179.9°
CAZCAKCBDCBG0.8°0.0°
CAZCAKCBDCAL178.6°180.0°
CAKCAZCASH16106.0°150.3°
CAKCAZCASH1712.7°30.3°
CAKCAZCAIH19176.9°179.8°
NAWCBHCAOH6120.1°120.1°
CBHNAWC6N12.1°0.1°
CBHNAWC6H5122.2°179.9°
CBHNAWC6C5174.9°180.0°
NAWCBHCAOCAQ178.5°177.6°
NAWCBHCAOH760.9°62.5°
NAWCBHCAOH857.9°57.6°
NAWCBHCANH1164.4°57.6°
NAWCBHCANH1256.0°62.5°
CAOCBHNAWC6134.1°155.0°
CBHCAOCAQH7120.6°119.9°
CBHCAOCAQH8120.6°120.0°
CAOCBHNAWH5103.7°25.1°
CBHCAOH7H8118.1°120.1°
CBHCAOCAQH9179.5°60.9°
CBHCAOCAQH1060.2°179.2°
CAOCBHCANH11176.6°62.3°
CAOCBHCANH1263.0°177.6°
CAICAJCBGH20180.0°180.0°
CAICAJCBGCBD6.3°0.3°
CAICAJCBGN178.1°180.0°
N1C2N3H4180.0°179.8°
C2N1C6NAW176.5°180.0°
C2N1C6C50.4°0.0°
N1C2N3C40.2°0.5°
C6N1C2N31.2°0.3°
N1C6NAWC5177.0°179.9°
N1C6C5C41.2°0.0°
N1C6C5CAM174.7°179.9°
C6N1C2H4178.8°180.0°
N1C6NAWH5120.1°180.0°
FAECBKFADCAT120.6°120.0°
FAECBKCATCBA63.2°60.0°
FAECBKCATH156.6°60.0°
FAECBKCATH2177.0°180.0°
C2N3C4C51.6°0.4°
C2N3C4SAX179.5°179.9°
NAWC6C5C4178.1°180.0°
NAWC6C5CAM8.4°0.0°
C6NAWCBHH614.5°34.9°
CAKCBDCBGCAJ3.8°0.2°
CAKCBDCBGCAL178.2°180.0°
CAKCBDCBGN179.8°180.0°
CAKCBDCALCBB178.7°180.0°
CAKCBDCALH211.3°0.0°
C6C5C4N32.3°0.2°
C6C5C4CAM175.0°180.0°
C6C5C4SAX178.7°180.0°
C6C5CAMCBA176.2°180.0°
C6C5CAMH33.8°0.1°
C5C6NAWH562.9°0.1°
FADCBKCATCBA176.3°60.1°
FADCBKCATH163.9°180.0°
FADCBKCATH256.5°59.9°
CBKCATCBACAM101.5°90.0°
CBKCATCBASAX79.9°90.0°
CBKCATCBAH1119.8°119.9°
CBKCATCBAH2119.8°120.0°
CBKCATH1H2120.6°120.1°
CAQCAOCBHH661.5°62.4°
CAQCAOH7H8118.1°120.1°
CAOCAQH9H10120.5°120.0°
N3C4C5SAX179.0°179.7°
N3C4C5CAM177.3°179.8°
N3C4SAXCBA177.7°179.7°
C4N3C2H4179.8°179.8°
CAJCBGCBDN176.3°179.8°
CAJCBGCBDCAL177.9°179.8°
CAJCBGNCBB177.8°179.7°
CAJCBGNCA2.4°0.0°
CBGCAJCAIH19174.0°179.9°
C4C5CAMCBA2.3°0.0°
C5C4SAXCBA3.3°0.0°
C4C5CAMH3177.7°179.9°
CAMC5C4SAX3.7°0.0°
C5CAMCBAH3180.0°179.9°
C5CAMCBASAX0.0°0.0°
C5CAMCBACAT178.8°180.0°
OCNABCA174.8°180.0°
OCCAN39.3°0.0°
OCCAH22159.4°120.0°
OCCAH2380.7°120.0°
OCNABH240.0°180.0°
OCNABH25180.0°0.0°
C4SAXCBACAM1.8°0.0°
C4SAXCBACAT179.4°180.0°
CAMCBASAXCAT178.7°180.0°
CAMCBACATH1138.7°29.9°
CAMCBACATH218.3°150.0°
CBGCBDCALCBB0.6°0.0°
CBDCBGNCBB1.9°0.1°
CBDCBGNCA178.3°179.7°
CBGCBDCAKH18179.2°179.9°
CBDCBGCAJH20173.7°179.7°
CBGCBDCALH21179.3°180.0°
CALCBDCBGN1.6°0.0°
CBDCALCBBH21180.0°180.0°
CBDCALCBBN0.6°0.1°
CBDCALCBBCAG179.6°179.9°
CALCBDCAKH181.4°0.1°
CBGNCAC90.5°90.0°
CBGNCBBCAL1.5°0.1°
CBGNCBBCA179.8°179.7°
CBGNCBBCAG179.4°180.0°
NCBGCAJH201.9°0.0°
CBGNCAH2229.6°150.0°
CBGNCAH23149.4°30.0°
NABCCAN145.7°180.0°
NABCCAH2225.6°60.0°
NABCCAH2394.3°60.0°
CNABH24H25180.0°180.0°
CCANCBB89.3°90.4°
CCANH22120.1°120.0°
CCANH23120.1°120.0°
CCAH22H23119.7°120.0°
CACNABH24174.8°0.0°
CACNABH255.2°180.0°
SAXCBACATH139.9°150.0°
SAXCBACATH2160.3°30.0°
SAXCBACAMH3180.0°180.0°
CBACATH1H2120.6°120.0°
CATCBACAMH31.3°0.0°
CALCBBNCAG179.2°179.9°
CALCBBNCA178.7°179.8°
CALCBBCAGNAA119.7°95.0°
NCBBCAGNAA61.3°85.2°
NCBBCALH21179.5°179.9°
CBBNCAH22150.7°29.6°
CBBNCAH2330.8°149.6°
CANCBBCAG0.4°0.4°
NCAH22H23119.8°120.0°
CAGCBBCALH210.4°0.1°
H5NAWCBHH6136.7°145.1°
H6CBHCAOH759.1°57.6°
H6CBHCAOH8177.9°177.7°
H6CBHCANH1157.7°177.8°
H6CBHCANH12178.1°57.7°
H7CAOCAQH959.9°59.1°
H7CAOCAQH1060.5°60.9°
H8CAOCAQH958.9°179.2°
H8CAOCAQH10179.2°59.2°
H11CANCAPH1356.0°59.2°
H11CANCAPH1463.4°179.2°
H12CANCAPH1364.4°60.9°
H12CANCAPH14176.1°59.1°
H19CAICAJH206.0°0.1°

222624

PDB entries from 2024-07-17

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