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EX5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBFOBEsing1.43Å1.42Å
OBECBCsing1.35Å1.35Å
CBCOBDdoub1.22Å1.22Å
CBCCAJsing1.41Å1.39Å
CAKCAJsing1.52Å1.44Å
CAKCALsing1.52Å1.67Å
CAJCAHdoub1.35Å1.36Å
CBBCBAsing1.53Å1.53Å
CANCAOsing1.53Å1.53Å
CANCALsing1.52Å1.56Å
CANOAXsing1.43Å1.44Å
CAOCAPsing1.52Å1.55Å
CAOOAXsing1.43Å1.44Å
CALCBAsing1.53Å1.53Å
CALCAMsing1.53Å1.51Å
CAHNAGsing1.36Å1.31Å
CAHCAIsing1.51Å1.40Å
NAQCAPsing1.45Å1.48Å
NAQCAMsing1.49Å1.46Å
NAQCAYsing1.47Å1.49Å
CAMCAIsing1.52Å1.61Å
NAGCAEsing1.39Å1.30Å
CAZCAIsing1.55Å1.59Å
CAZCAYsing1.56Å1.61Å
CAICAFsing1.49Å1.38Å
CAECAFdoub1.40Å1.39ÅAromatic
CAECADsing1.39Å1.39ÅAromatic
CAFCAAsing1.38Å1.39ÅAromatic
CADCACdoub1.39Å1.45ÅAromatic
CAACABdoub1.39Å1.44ÅAromatic
CACCABsing1.39Å1.43ÅAromatic
CACOARsing1.36Å1.34Å
CABOASsing1.36Å1.38Å
CATOARsing1.43Å1.42Å
OASCAUsing1.34Å1.35Å
OAWCAUdoub1.21Å1.23Å
CAUCAVsing1.51Å1.52Å
CAAH1sing1.08Å1.08Å
CADH2sing1.08Å1.08Å
CAKH4sing1.09Å1.10Å
CAKH5sing1.09Å1.10Å
CAMH6sing1.09Å1.10Å
CANH7sing1.09Å1.10Å
CAOH8sing1.09Å1.10Å
CAPH9sing1.09Å1.10Å
CAPH10sing1.09Å1.10Å
CATH11sing1.09Å1.10Å
CATH12sing1.09Å1.10Å
CATH13sing1.09Å1.10Å
CAVH14sing1.09Å1.10Å
CAVH15sing1.09Å1.10Å
CAVH16sing1.09Å1.10Å
CAYH17sing1.09Å1.10Å
CAYH18sing1.09Å1.10Å
CAZH19sing1.09Å1.10Å
CAZH20sing1.09Å1.10Å
CBAH21sing1.09Å1.10Å
CBAH22sing1.09Å1.10Å
CBBH23sing1.09Å1.10Å
CBBH24sing1.09Å1.10Å
CBBH25sing1.09Å1.10Å
CBFH26sing1.09Å1.10Å
CBFH27sing1.09Å1.10Å
CBFH28sing1.09Å1.10Å
NAGH3sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBFOBECBC108.9°117.0°
OBECBFH26109.5°109.5°
OBECBFH27109.5°109.5°
OBECBFH28109.4°109.5°
OBECBCOBD122.2°120.0°
OBECBCCAJ116.8°120.0°
OBDCBCCAJ120.9°120.0°
CBCCAJCAK117.6°122.6°
CBCCAJCAH120.2°122.6°
CAJCAKCAL112.9°105.8°
CAKCAJCAH121.5°114.8°
CAJCAKH4108.6°110.2°
CAJCAKH5108.6°110.2°
CAKCALCAN117.4°110.3°
CAKCALCBA111.4°109.5°
CAKCALCAM101.1°108.8°
CALCAKH4108.6°110.9°
CALCAKH5108.6°109.4°
CAJCAHNAG129.8°129.3°
CAJCAHCAI121.6°124.3°
CBBCBACAL110.8°109.5°
CBBCBAH21109.1°109.5°
CBBCBAH22109.1°109.4°
CBACBBH23109.5°109.5°
CBACBBH24109.5°109.5°
CBACBBH25109.4°109.4°
CAOCANCAL121.9°120.1°
CAOCANOAX58.1°57.9°
CANCAOCAP117.8°119.1°
CANCAOOAX57.8°57.6°
CAOCANH7114.8°116.9°
CANCAOH8117.6°117.8°
CALCANOAX119.8°118.4°
CANCALCBA104.5°109.5°
CANCALCAM108.9°109.0°
CALCANH7114.4°115.3°
CANOAXCAO64.1°64.5°
OAXCANH7116.5°116.2°
CAPCAOOAX113.7°116.5°
CAOCAPNAQ113.4°107.5°
CAPCAOH8117.2°115.2°
CAOCAPH9108.5°109.9°
CAOCAPH10108.5°109.9°
OAXCAOH8119.4°118.6°
CBACALCAM114.0°109.8°
CALCBAH21109.1°109.5°
CALCBAH22109.1°109.5°
CALCAMNAQ115.9°104.9°
CALCAMCAI114.3°112.7°
CALCAMH6104.9°111.0°
NAGCAHCAI106.8°106.3°
CAHNAGCAE111.6°110.4°
CAHNAGH3124.2°124.8°
CAHCAICAM115.2°112.5°
CAHCAICAZ112.3°110.2°
CAHCAICAF106.9°103.7°
CAPNAQCAM113.8°109.8°
CAPNAQCAY116.0°116.7°
NAQCAPH9108.5°110.0°
NAQCAPH10108.5°109.7°
CAMNAQCAY99.0°105.6°
NAQCAMCAI111.2°105.4°
NAQCAMH6105.3°111.7°
NAQCAYCAZ99.7°101.5°
NAQCAYH17111.8°111.0°
NAQCAYH18111.9°111.1°
CAMCAICAZ97.8°105.9°
CAMCAICAF124.1°115.8°
CAICAMH6103.9°111.0°
NAGCAECAF109.0°110.5°
NAGCAECAD129.7°129.1°
CAENAGH3124.2°124.7°
CAICAZCAY101.8°102.4°
CAZCAICAF98.7°108.6°
CAICAZH19111.3°110.8°
CAICAZH20111.4°110.8°
CAZCAYH17111.8°111.0°
CAZCAYH18111.9°111.0°
CAYCAZH19111.4°110.8°
CAYCAZH20111.3°110.8°
CAICAFCAE105.7°105.6°
CAICAFCAA133.7°132.1°
CAFCAECAD121.3°120.4°
CAECAFCAA120.6°122.3°
CAECADCAC120.0°117.2°
CAECADH2120.0°121.4°
CAFCAACAB120.6°117.1°
CAFCAAH1119.7°121.5°
CADCACCAB118.6°121.8°
CADCACOAR124.6°119.1°
CACCADH2120.0°121.4°
CAACABCAC118.8°121.2°
CAACABOAS120.9°119.3°
CABCAAH1119.7°121.5°
CABCACOAR116.8°119.1°
CACCABOAS120.3°119.4°
CACOARCAT115.2°117.0°
CABOASCAU126.6°116.9°
OARCATH11109.5°109.4°
OARCATH12109.4°109.5°
OARCATH13109.5°109.4°
OASCAUOAW125.8°120.0°
OASCAUCAV113.1°120.0°
OAWCAUCAV121.2°120.0°
CAUCAVH14109.5°109.4°
CAUCAVH15109.4°109.5°
CAUCAVH16109.5°109.5°
H4CAKH5109.5°110.2°
H9CAPH10109.4°109.8°
H11CATH12109.5°109.5°
H11CATH13109.5°109.5°
H12CATH13109.4°109.5°
H14CAVH15109.5°109.4°
H14CAVH16109.5°109.5°
H15CAVH16109.5°109.5°
H17CAYH18109.5°110.9°
H19CAZH20109.5°110.8°
H21CBAH22109.5°109.4°
H23CBBH24109.5°109.5°
H23CBBH25109.5°109.5°
H24CBBH25109.5°109.4°
H26CBFH27109.5°109.5°
H26CBFH28109.5°109.5°
H27CBFH28109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBFOBECBCOBD34.3°0.1°
CBFOBECBCCAJ145.9°180.0°
OBECBFH26H27120.0°120.0°
OBECBFH26H28120.0°120.0°
OBECBFH27H28120.0°120.0°
OBECBCOBDCAJ179.8°180.0°
OBECBCCAJCAK9.9°0.0°
OBECBCCAJCAH179.8°180.0°
CBCOBECBFH26180.0°60.0°
CBCOBECBFH2760.0°60.0°
CBCOBECBFH2860.0°180.0°
OBDCBCCAJCAK170.3°180.0°
OBDCBCCAJCAH0.0°0.0°
CBCCAJCAKCAH170.1°180.0°
CBCCAJCAKCAL147.8°139.0°
CBCCAJCAHNAG27.4°13.0°
CBCCAJCAHCAI169.9°169.9°
CBCCAJCAKH491.6°101.1°
CBCCAJCAKH527.3°20.8°
CAJCAKCALH4120.5°119.5°
CAJCAKCALH5120.5°118.7°
CAJCAKCALCAN175.7°170.1°
CAJCAKCALCBA63.9°49.5°
CAJCAKCALCAM57.5°70.4°
CAKCAJCAHNAG142.5°167.1°
CAKCAJCAHCAI20.2°10.0°
CAJCAKH4H5118.4°121.8°
CALCAKCAJCAH22.3°41.1°
CAKCALCBACBB42.3°60.1°
CAKCALCANCAO94.2°100.2°
CAKCALCANCBA123.9°120.5°
CAKCALCANCAM113.9°119.4°
CAKCALCANOAX163.1°167.5°
CAKCALCBACAM113.6°119.3°
CAKCALCAMNAQ75.9°65.6°
CAKCALCAMCAI55.4°48.5°
CALCAKH4H5118.4°121.4°
CAKCALCAMH6168.4°173.6°
CAKCALCANH751.4°48.3°
CAKCALCBAH21162.5°60.0°
CAKCALCBAH2277.9°180.0°
CAJCAHNAGCAI164.6°177.5°
CAJCAHCAICAM21.7°32.8°
CAJCAHNAGCAE161.9°160.8°
CAJCAHCAICAZ89.0°85.2°
CAJCAHCAICAF163.8°158.7°
CAHCAJCAKH498.2°78.9°
CAHCAJCAKH5142.8°159.3°
CAJCAHNAGH318.1°20.1°
CBBCBACALCAN85.5°61.0°
CBBCBACALH21120.2°120.1°
CBBCBACALH22120.2°120.0°
CBBCBACALCAM155.8°179.4°
CBBCBAH21H22119.4°119.9°
CBACBBH23H24120.0°120.0°
CBACBBH23H25120.0°120.0°
CBACBBH24H25120.0°119.9°
CAOCANCALOAX68.9°67.3°
CAOCANCALH7145.6°148.5°
CAOCANOAXH7104.0°106.6°
CANCAOCAPOAX64.7°65.9°
CANCAOCAPH8149.3°148.4°
CANCAOOAXH8105.9°106.4°
CAOCANCALCBA141.9°139.3°
CAOCANCALCAM19.7°19.2°
CANCAOCAPNAQ17.1°21.5°
CANCAOCAPH9137.7°141.3°
CANCAOCAPH10103.5°97.8°
CALCANOAXH7144.9°143.9°
CALCANCAOCAP5.8°2.0°
CANCALCBACAM118.7°119.6°
CANCALCAMNAQ48.3°54.8°
CANCALCAMCAI179.6°168.8°
CANCALCAKH455.2°70.4°
CANCALCAKH563.8°51.4°
CANCALCAMH667.4°66.1°
CALCANCAOH8143.4°145.6°
CANCALCBAH2134.8°178.9°
CANCALCBAH22154.4°59.0°
OAXCANCALCBA73.0°71.9°
OAXCANCALCAM49.2°48.2°
CAPCAOOAXH8145.1°144.5°
CAOCAPNAQH9120.6°119.7°
CAOCAPNAQH10120.6°119.4°
CAOCAPNAQCAM44.8°61.8°
CAOCAPNAQCAY158.8°178.1°
CAPCAOCANH7151.2°150.0°
CAOCAPH9H10118.2°121.0°
OAXCAOCAPNAQ81.8°87.5°
OAXCAOCAPH9157.6°152.8°
OAXCAOCAPH1038.8°31.8°
CBACALCAMNAQ164.6°174.7°
CBACALCAMCAI64.2°71.2°
CBACALCAKH4175.6°169.0°
CBACALCAKH556.6°69.1°
CBACALCAMH648.9°53.9°
CBACALCANH772.6°72.3°
CALCBAH21H22119.4°120.0°
CALCBACBBH23180.0°180.0°
CALCBACBBH2460.0°59.9°
CALCBACBBH2560.0°60.0°
CALCAMCAICAH21.7°0.6°
CALCAMNAQCAP64.6°82.5°
CALCAMNAQCAI132.7°119.1°
CALCAMNAQH6115.4°120.3°
CALCAMNAQCAY171.6°150.9°
CALCAMCAIH6113.7°125.1°
CALCAMCAICAZ140.8°119.8°
CALCAMCAICAF113.2°119.7°
CAMCALCAKH462.9°49.1°
CAMCALCAKH5178.1°170.9°
CAMCALCANH7165.3°167.6°
CAMCALCBAH2184.0°59.3°
CAMCALCBAH2235.6°60.6°
NAGCAHCAICAM144.5°144.9°
CAHNAGCAEH3180.0°179.1°
NAGCAHCAICAZ104.8°97.2°
NAGCAHCAICAF2.3°18.9°
CAHNAGCAECAF2.0°7.7°
CAHNAGCAECAD178.4°170.1°
CAHCAICAMNAQ111.8°114.4°
CAHCAICAMCAZ119.1°120.4°
CAHCAICAMCAF134.9°119.1°
CAICAHNAGCAE2.7°16.7°
CAHCAICAZCAF112.3°113.0°
CAHCAICAZCAY146.3°141.8°
CAHCAICAFCAE1.1°14.3°
CAHCAICAFCAA178.9°168.0°
CAHCAICAMH6135.4°124.5°
CAHCAICAZH1995.0°99.9°
CAHCAICAZH2027.5°23.6°
CAICAHNAGH3177.3°162.4°
CAPNAQCAMCAY123.8°126.6°
CAPNAQCAMCAI162.7°158.4°
CAPNAQCAYCAZ175.4°166.3°
CAPNAQCAMH650.8°37.8°
NAQCAPCAOH8132.2°126.8°
NAQCAPH9H10118.2°120.8°
CAPNAQCAYH1766.3°48.2°
CAPNAQCAYH1856.9°75.7°
NAQCAMCAIH6112.8°121.1°
NAQCAMCAICAZ7.3°6.0°
CAMNAQCAYCAZ53.2°44.0°
NAQCAMCAICAF113.3°126.5°
CAMNAQCAPH9165.4°178.5°
CAMNAQCAPH1075.8°57.6°
CAMNAQCAYH17171.6°74.0°
CAMNAQCAYH1865.2°162.1°
CAYNAQCAMCAI38.9°31.8°
NAQCAYCAZCAI50.1°38.7°
NAQCAYCAZH17118.4°118.0°
NAQCAYCAZH18118.4°118.1°
CAYNAQCAMH673.0°88.9°
CAYNAQCAPH980.6°58.4°
CAYNAQCAPH1038.2°62.5°
NAQCAYH17H18124.5°124.0°
NAQCAYCAZH19168.9°157.0°
NAQCAYCAZH2068.6°79.5°
CAMCAICAZCAF126.4°125.1°
CAMCAICAZCAY25.0°19.9°
CAMCAICAFCAE139.1°138.1°
CAMCAICAFCAA41.0°44.2°
CAMCAICAZH19143.7°138.1°
CAMCAICAZH2093.8°98.4°
NAGCAECAFCAI0.4°5.1°
NAGCAECAFCAD179.6°178.0°
NAGCAECAFCAA179.5°176.9°
NAGCAECADCAC179.5°176.8°
NAGCAECADH20.5°3.2°
CAICAZCAYH19118.7°118.3°
CAICAZCAYH20118.8°118.3°
CAZCAICAFCAE115.4°102.9°
CAZCAICAFCAA64.6°74.8°
CAZCAICAMH6105.5°115.1°
CAICAZCAYH17168.5°79.3°
CAICAZCAYH1868.3°156.8°
CAICAZH19H20123.6°123.5°
CAYCAZCAICAF101.4°105.2°
CAZCAYH17H18124.6°123.9°
CAYCAZH19H20123.6°123.5°
CAICAFCAECAA180.0°178.0°
CAICAFCAECAD180.0°177.0°
CAICAFCAACAB179.8°176.9°
CAICAFCAAH10.3°3.4°
CAFCAICAMH60.5°5.4°
CAFCAICAZH1917.4°13.1°
CAFCAICAZH20139.8°136.6°
CAFCAECADCAC0.0°0.7°
CAECAFCAACAB0.3°0.5°
CAECAFCAAH1179.7°179.2°
CAFCAECADH2180.0°179.3°
CAFCAENAGH3178.0°171.4°
CADCAECAFCAA0.1°1.0°
CAECADCACH2180.0°180.0°
CAECADCACCAB0.2°0.0°
CAECADCACOAR179.9°180.0°
CADCAENAGH31.6°10.8°
CAFCAACABH1180.0°179.7°
CAFCAACABCAC0.5°0.2°
CAFCAACABOAS179.4°179.7°
CADCACCABCAA0.4°0.5°
CADCACCABOAR179.9°180.0°
CADCACCABOAS179.4°179.4°
CADCACOARCAT0.7°0.0°
CAACABCACOAS178.9°179.9°
CAACABCACOAR179.7°179.5°
CAACABOASCAU77.1°98.8°
CABCACOARCAT179.4°180.0°
CACCABOASCAU104.0°81.3°
CACCABCAAH1179.5°179.9°
CABCACCADH2179.8°180.0°
OARCACCABOAS0.8°0.6°
OARCACCADH20.1°0.0°
CACOARCATH11180.0°60.0°
CACOARCATH1260.0°179.9°
CACOARCATH1360.0°60.1°
CABOASCAUOAW58.3°5.4°
CABOASCAUCAV122.5°174.5°
OASCABCAAH10.6°0.0°
OARCATH11H12120.0°120.0°
OARCATH11H13120.0°119.9°
OARCATH12H13120.0°119.9°
OASCAUOAWCAV179.1°180.0°
OASCAUCAVH14179.2°0.0°
OASCAUCAVH1560.7°119.9°
OASCAUCAVH1659.2°120.0°
OAWCAUCAVH140.0°179.9°
OAWCAUCAVH15120.0°60.0°
OAWCAUCAVH16120.0°60.0°
CAUCAVH14H15120.0°120.0°
CAUCAVH14H16120.0°120.0°
CAUCAVH15H16119.9°120.0°
H7CANCAOH82.0°2.4°
H8CAOCAPH911.6°7.1°
H8CAOCAPH10107.2°113.9°
H11CATH12H13120.0°120.1°
H14CAVH15H16120.0°120.0°
H17CAYCAZH1972.7°38.9°
H17CAYCAZH2049.8°162.4°
H18CAYCAZH1950.5°84.9°
H18CAYCAZH20173.0°38.5°
H21CBACBBH2359.8°60.0°
H21CBACBBH2460.2°180.0°
H21CBACBBH25179.8°60.1°
H22CBACBBH2359.8°60.0°
H22CBACBBH24179.8°60.1°
H22CBACBBH2560.2°180.0°
H23CBBH24H25120.0°120.0°
H26CBFH27H28120.0°120.0°

224931

PDB entries from 2024-09-11

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