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54B

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
FBLCBKsing1.40Å1.35Å
CBKFBMsing1.40Å1.36Å
CBKFBNsing1.40Å1.35Å
CBKCBJsing1.51Å1.55Å
CBJNBOsing1.31Å1.35ÅAromatic
CBJCBIdoub1.34Å1.34ÅAromatic
NBOCBHdoub1.30Å1.34ÅAromatic
CBISBPsing1.76Å1.65ÅAromatic
SBPCBHsing1.76Å1.63ÅAromatic
CBHCBFsing1.48Å1.35Å
CBFCBEdoub1.40Å1.40ÅAromatic
CBFCAUsing1.41Å1.41ÅAromatic
CBECAXsing1.39Å1.40ÅAromatic
CAXNAYsing1.39Å1.34Å
CAXNAWdoub1.32Å1.34ÅAromatic
NAYCAZsing1.35Å1.35Å
CAZOBAdoub1.22Å1.23Å
CAZNBBsing1.35Å1.34Å
NBBCBCsing1.47Å1.46Å
CBCCBDsing1.53Å1.52Å
NAWCAVsing1.32Å1.39ÅAromatic
CAVCAUdoub1.39Å1.39ÅAromatic
CAUCATsing1.48Å1.39Å
CATCASdoub1.39Å1.39ÅAromatic
CATCAIsing1.40Å1.40ÅAromatic
CASCALsing1.40Å1.39ÅAromatic
CALCAMsing1.48Å1.33Å
CALCAKdoub1.39Å1.39ÅAromatic
CAMOANsing1.35Å1.34Å
CAMNARdoub1.30Å1.33Å
OANCAOsing1.34Å1.34Å
CAOOAPdoub1.22Å1.23Å
CAONAQsing1.35Å1.33Å
NAQNARsing1.40Å1.35Å
CAKNAJsing1.32Å1.39ÅAromatic
NAJCAIdoub1.32Å1.34ÅAromatic
CAINAHsing1.39Å1.33Å
NAHCACsing1.49Å1.46Å
NAHCAGsing1.49Å1.48Å
CACCABsing1.55Å1.53Å
CACCADsing1.54Å1.51Å
CABCAAsing1.54Å1.55Å
CAACAGsing1.55Å1.51Å
CAGCAFsing1.54Å1.52Å
CAFNAEsing1.47Å1.46Å
NAECBGsing1.47Å1.47Å
NAECADsing1.47Å1.46Å
CBIH1sing1.08Å1.08Å
CBEH4sing1.08Å1.08Å
NAYH5sing0.97Å1.00Å
NBBH6sing0.97Å1.00Å
CBCH7sing1.09Å1.10Å
CBCH8sing1.09Å1.10Å
CBDH9sing1.09Å1.10Å
CBDH10sing1.09Å1.10Å
CBDH11sing1.09Å1.10Å
CAVH12sing1.08Å1.08Å
CASH13sing1.08Å1.08Å
NAQH14sing0.97Å1.00Å
CAKH15sing1.08Å1.08Å
CACH16sing1.09Å1.10Å
CABH17sing1.09Å1.10Å
CABH18sing1.09Å1.10Å
CAAH19sing1.09Å1.10Å
CAAH20sing1.09Å1.10Å
CAGH21sing1.09Å1.10Å
CAFH22sing1.09Å1.10Å
CAFH23sing1.09Å1.10Å
CBGH25sing1.09Å1.10Å
CBGH26sing1.09Å1.10Å
CBGH27sing1.09Å1.10Å
CADH28sing1.09Å1.10Å
CADH29sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
FBLCBKFBM109.7°109.5°
FBLCBKFBN108.4°109.4°
FBLCBKCBJ109.9°109.5°
FBMCBKFBN109.6°109.5°
FBMCBKCBJ109.1°109.5°
FBNCBKCBJ110.0°109.4°
CBKCBJNBO123.3°122.1°
CBKCBJCBI121.6°122.1°
NBOCBJCBI115.1°115.8°
CBJNBOCBH114.1°117.1°
CBJCBISBP106.1°108.2°
CBJCBIH1126.9°125.9°
NBOCBHSBP107.2°109.0°
NBOCBHCBF125.4°125.5°
CBISBPCBH97.5°89.8°
SBPCBIH1126.9°125.9°
SBPCBHCBF127.4°125.5°
CBHCBFCBE117.5°120.9°
CBHCBFCAU125.0°120.9°
CBECBFCAU117.4°118.1°
CBFCBECAX122.1°119.0°
CBFCBEH4118.9°120.5°
CBFCAUCAV119.0°118.9°
CBFCAUCAT126.0°120.6°
CBECAXNAY126.3°119.5°
CBECAXNAW119.3°121.0°
CAXCBEH4119.0°120.5°
NAYCAXNAW114.4°119.5°
CAXNAYCAZ125.9°120.0°
CAXNAYH5117.1°120.0°
CAXNAWCAV120.3°122.1°
NAYCAZOBA125.6°120.0°
NAYCAZNBB114.0°120.0°
CAZNAYH5117.0°120.0°
OBACAZNBB120.4°120.0°
CAZNBBCBC123.0°120.0°
CAZNBBH6118.5°120.0°
NBBCBCCBD107.5°109.5°
CBCNBBH6118.6°120.0°
NBBCBCH7110.0°109.5°
NBBCBCH8110.0°109.5°
CBDCBCH7109.9°109.5°
CBDCBCH8110.0°109.4°
CBCCBDH9109.5°109.5°
CBCCBDH10109.5°109.5°
CBCCBDH11109.5°109.4°
NAWCAVCAU121.8°120.8°
NAWCAVH12119.1°119.6°
CAVCAUCAT114.9°120.6°
CAUCAVH12119.1°119.6°
CAUCATCAS119.9°120.5°
CAUCATCAI120.5°120.6°
CASCATCAI119.6°118.9°
CATCASCAL119.6°118.3°
CATCASH13120.2°120.9°
CATCAINAJ120.2°120.8°
CATCAINAH123.6°119.6°
CASCALCAM121.6°120.4°
CASCALCAK119.6°119.2°
CALCASH13120.2°120.9°
CAMCALCAK118.7°120.4°
CALCAMOAN124.2°125.5°
CALCAMNAR125.5°125.5°
CALCAKNAJ119.9°121.0°
CALCAKH15120.1°119.5°
OANCAMNAR110.2°109.0°
CAMOANCAO105.1°108.9°
CAMNARNAQ107.2°107.7°
OANCAOOAP124.8°126.2°
OANCAONAQ110.4°107.5°
OAPCAONAQ124.8°126.3°
CAONAQNAR107.1°106.9°
CAONAQH14126.4°126.6°
NARNAQH14126.5°126.5°
CAKNAJCAI121.1°121.9°
NAJCAKH15120.1°119.5°
NAJCAINAH116.2°119.7°
CAINAHCAC125.4°111.0°
CAINAHCAG127.9°111.0°
CACNAHCAG103.1°103.0°
NAHCACCAB99.1°104.0°
NAHCACCAD111.9°106.9°
NAHCACH16112.8°112.5°
NAHCAGCAA98.4°104.0°
NAHCAGCAF112.4°107.0°
NAHCAGH21112.2°112.4°
CABCACCAD108.5°107.6°
CACCABCAA105.0°104.7°
CABCACH16111.7°112.4°
CACCABH17110.6°110.4°
CACCABH18110.6°110.4°
CACCADNAE109.7°109.0°
CADCACH16112.0°112.8°
CACCADH28109.4°109.6°
CACCADH29109.4°109.6°
CABCAACAG103.7°104.8°
CAACABH17110.6°110.4°
CAACABH18110.6°110.4°
CABCAAH19110.9°110.4°
CABCAAH20110.9°110.4°
CAACAGCAF109.9°107.6°
CAGCAAH19110.9°110.4°
CAGCAAH20110.9°110.4°
CAACAGH21111.7°112.4°
CAGCAFNAE110.6°108.9°
CAFCAGH21111.6°112.8°
CAGCAFH22109.2°109.6°
CAGCAFH23109.2°109.6°
CAFNAECBG110.3°111.0°
CAFNAECAD108.5°111.7°
NAECAFH22109.2°109.6°
NAECAFH23109.2°109.5°
CBGNAECAD110.0°111.0°
NAECBGH25109.5°109.5°
NAECBGH26109.5°109.5°
NAECBGH27109.4°109.5°
NAECADH28109.4°109.5°
NAECADH29109.4°109.5°
H7CBCH8109.5°109.4°
H9CBDH10109.4°109.5°
H9CBDH11109.4°109.4°
H10CBDH11109.5°109.4°
H17CABH18109.5°110.5°
H19CAAH20109.5°110.4°
H22CAFH23109.5°109.7°
H25CBGH26109.5°109.4°
H25CBGH27109.5°109.5°
H26CBGH27109.5°109.4°
H28CADH29109.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
FBLCBKFBMFBN119.0°120.0°
FBLCBKFBMCBJ120.5°120.0°
FBLCBKFBNCBJ120.3°120.0°
FBLCBKCBJNBO161.9°5.1°
FBLCBKCBJCBI18.2°175.3°
FBMCBKFBNCBJ119.9°120.0°
FBMCBKCBJNBO77.7°114.9°
FBMCBKCBJCBI102.2°64.7°
FBNCBKCBJNBO42.6°125.0°
FBNCBKCBJCBI137.6°55.3°
CBKCBJNBOCBI179.9°179.7°
CBKCBJNBOCBH179.2°179.9°
CBKCBJCBISBP179.9°179.9°
CBKCBJCBIH10.1°0.0°
NBOCBJCBISBP0.1°0.3°
CBJNBOCBHSBP1.0°0.1°
CBJNBOCBHCBF178.4°180.0°
NBOCBJCBIH1179.9°179.7°
CBICBJNBOCBH0.7°0.3°
CBJCBISBPH1180.0°180.0°
CBJCBISBPCBH0.6°0.2°
NBOCBHSBPCBI0.9°0.0°
NBOCBHSBPCBF177.3°179.9°
NBOCBHCBFCBE34.4°6.1°
NBOCBHCBFCAU147.5°173.7°
CBISBPCBHCBF178.3°179.9°
SBPCBHCBFCBE142.5°174.0°
SBPCBHCBFCAU35.6°6.2°
CBHSBPCBIH1179.4°179.8°
CBHCBFCBECAU178.3°179.8°
CBHCBFCBECAX179.1°180.0°
CBHCBFCAUCAV179.5°179.8°
CBHCBFCAUCAT3.2°0.1°
CBHCBFCBEH40.9°0.1°
CBFCBECAXH4180.0°179.9°
CBFCBECAXNAY178.9°180.0°
CBFCBECAXNAW0.2°0.0°
CBECBFCAUCAV1.4°0.4°
CBECBFCAUCAT178.6°179.7°
CAUCBFCBECAX0.8°0.2°
CBFCAUCAVNAW1.0°0.5°
CBFCAUCAVCAT177.5°179.8°
CBFCAUCATCAS119.9°110.0°
CBFCAUCATCAI62.5°70.3°
CAUCBFCBEH4179.2°179.7°
CBFCAUCAVH12179.0°179.8°
CBECAXNAYNAW178.7°179.9°
CBECAXNAYCAZ12.5°174.6°
CBECAXNAWCAV0.7°0.0°
CBECAXNAYH5167.5°5.5°
CAXNAYCAZH5180.0°179.9°
CAXNAYCAZOBA4.3°5.3°
CAXNAYCAZNBB176.6°174.7°
NAYCAXNAWCAV179.5°180.0°
NAYCAXCBEH41.1°0.1°
NAWCAXNAYCAZ166.2°5.3°
CAXNAWCAVCAU0.0°0.2°
NAWCAXCBEH4179.8°180.0°
NAWCAXNAYH513.8°174.6°
CAXNAWCAVH12180.0°180.0°
NAYCAZOBANBB179.1°180.0°
NAYCAZNBBCBC178.6°180.0°
NAYCAZNBBH61.4°0.0°
OBACAZNBBCBC0.5°0.0°
OBACAZNAYH5175.7°174.8°
OBACAZNBBH6179.5°180.0°
CAZNBBCBCH6180.0°180.0°
CAZNBBCBCCBD171.3°180.0°
NBBCAZNAYH53.4°5.2°
CAZNBBCBCH751.6°59.9°
CAZNBBCBCH869.0°60.0°
NBBCBCCBDH7119.7°120.1°
NBBCBCCBDH8119.7°120.0°
NBBCBCH7H8120.9°120.0°
NBBCBCCBDH9180.0°180.0°
NBBCBCCBDH1060.0°59.9°
NBBCBCCBDH1160.0°60.0°
CBDCBCNBBH68.7°0.1°
CBDCBCH7H8120.9°119.9°
CBCCBDH9H10120.0°120.1°
CBCCBDH9H11120.0°119.9°
CBCCBDH10H11120.0°119.9°
NAWCAVCAUH12180.0°179.8°
NAWCAVCAUCAT178.6°179.7°
CAVCAUCATCAS62.7°69.9°
CAVCAUCATCAI114.8°109.9°
CAUCATCASCAI177.6°179.7°
CAUCATCASCAL179.5°179.9°
CAUCATCAINAJ178.7°179.6°
CAUCATCAINAH0.4°0.0°
CATCAUCAVH121.4°0.1°
CAUCATCASH130.5°0.1°
CATCASCALH13180.0°179.9°
CATCASCALCAM179.4°180.0°
CATCASCALCAK1.8°0.1°
CASCATCAINAJ1.1°0.6°
CASCATCAINAH178.0°179.7°
CAICATCASCAL1.9°0.3°
CATCAINAJCAK0.2°0.7°
CATCAINAJNAH179.2°179.7°
CATCAINAHCAC143.6°171.5°
CATCAINAHCAG61.4°74.6°
CAICATCASH13178.1°179.8°
CASCALCAMCAK177.6°179.9°
CASCALCAMOAN174.8°180.0°
CASCALCAMNAR9.1°0.4°
CASCALCAKNAJ0.9°0.1°
CASCALCAKH15179.1°179.9°
CALCAMOANNAR176.6°179.7°
CALCAMOANCAO178.1°180.0°
CALCAMNARNAQ178.0°179.8°
CAMCALCAKNAJ178.5°180.0°
CAMCALCASH130.6°0.1°
CAMCALCAKH151.4°0.0°
CAKCALCAMOAN7.6°0.1°
CAKCALCAMNAR168.5°179.7°
CALCAKNAJH15180.0°180.0°
CALCAKNAJCAI0.1°0.4°
CAKCALCASH13178.2°179.9°
CAMOANCAOOAP179.2°180.0°
CAMOANCAONAQ1.0°0.0°
OANCAMNARNAQ1.4°0.4°
NARCAMOANCAO1.5°0.3°
CAMNARNAQCAO0.8°0.4°
CAMNARNAQH14179.2°179.9°
OANCAOOAPNAQ179.8°179.9°
OANCAONAQNAR0.2°0.3°
OANCAONAQH14179.9°179.9°
OAPCAONAQNAR180.0°179.7°
OAPCAONAQH140.0°0.0°
CAONAQNARH14180.0°179.7°
CAKNAJCAINAH179.0°179.6°
NAJCAINAHCAC37.2°8.2°
NAJCAINAHCAG117.7°105.7°
CAINAJCAKH15179.9°179.6°
CAINAHCACCAG160.0°118.9°
CAINAHCACCAB108.7°76.1°
CAINAHCACCAD137.0°170.2°
CAINAHCAGCAA104.4°76.0°
CAINAHCAGCAF140.0°170.3°
CAINAHCACH169.6°45.8°
CAINAHCAGH2113.2°45.8°
NAHCACCABCAD116.9°113.2°
NAHCACCABH16119.1°121.9°
NAHCACCADH16127.8°124.2°
NAHCACCABCAA27.1°25.9°
CACNAHCAGCAA54.9°42.8°
CACNAHCAGCAF60.8°70.9°
NAHCACCADNAE64.7°63.6°
NAHCACCABH17146.4°144.7°
NAHCACCABH1892.2°92.9°
CACNAHCAGH21172.5°164.7°
NAHCACCADH2855.4°56.2°
NAHCACCADH29175.3°176.6°
CAGNAHCACCAB51.3°42.8°
CAGNAHCACCAD63.0°70.9°
NAHCAGCAACAB34.7°25.9°
NAHCAGCAACAF117.6°113.3°
NAHCAGCAAH21118.0°121.9°
NAHCAGCAFH21127.0°124.2°
NAHCAGCAFNAE60.0°63.6°
CAGNAHCACH16169.6°164.7°
NAHCAGCAAH19153.7°144.8°
NAHCAGCAAH2084.4°92.9°
NAHCAGCAFH22179.8°176.6°
NAHCAGCAFH2360.1°56.2°
CABCACCADH16123.8°124.6°
CACCABCAAH17119.3°118.8°
CACCABCAAH18119.3°118.8°
CACCABCAACAG5.1°0.0°
CABCACCADNAE43.7°47.6°
CACCABH17H18122.1°122.4°
CACCABCAAH19124.1°118.8°
CACCABCAAH20114.0°118.9°
CABCACCADH28163.8°167.5°
CABCACCADH2976.3°72.2°
CADCACCABCAA89.8°87.3°
CACCADNAECAF57.2°55.3°
CACCADNAECBG177.9°179.8°
CACCADNAEH28120.0°119.9°
CACCADNAEH29120.0°119.9°
CADCACCABH1729.5°31.5°
CADCACCABH18150.9°153.9°
CACCADH28H29119.9°120.4°
CABCAACAGH19119.1°118.8°
CABCAACAGH20119.1°118.8°
CABCAACAGCAF83.0°87.3°
CAACABCACH16146.2°147.9°
CAACABH17H18122.1°122.4°
CABCAAH19H20122.6°122.3°
CABCAACAGH21152.7°147.8°
CAACAGCAFH21124.4°124.6°
CAACAGCAFNAE48.5°47.7°
CAGCAACABH17114.2°118.8°
CAGCAACABH18124.3°118.8°
CAGCAAH19H20122.7°122.4°
CAACAGCAFH2271.7°72.2°
CAACAGCAFH23168.7°167.5°
CAGCAFNAEH22120.1°119.9°
CAGCAFNAEH23120.2°119.8°
CAGCAFNAECBG175.8°179.8°
CAGCAFNAECAD55.3°55.3°
CAFCAGCAAH1936.1°31.5°
CAFCAGCAAH20158.0°153.9°
CAGCAFH22H23119.5°120.3°
CAFNAECBGCAD119.7°124.9°
NAECAFCAGH21172.9°172.3°
NAECAFH22H23119.5°120.2°
CAFNAECBGH25180.0°60.1°
CAFNAECBGH2660.0°180.0°
CAFNAECBGH2760.0°60.0°
CAFNAECADH2862.8°64.6°
CAFNAECADH29177.2°175.2°
CBGNAECAFH2264.0°60.4°
CBGNAECAFH2355.7°60.0°
NAECBGH25H26120.0°120.0°
NAECBGH25H27120.0°120.1°
NAECBGH26H27119.9°120.1°
CBGNAECADH2857.9°59.9°
CBGNAECADH2962.1°60.3°
NAECADCACH16167.5°172.2°
CADNAECAFH22175.5°175.1°
CADNAECAFH2364.9°64.5°
CADNAECBGH2560.3°64.8°
CADNAECBGH26179.6°55.1°
CADNAECBGH2759.7°175.2°
NAECADH28H29119.9°120.1°
H6NBBCBCH7128.4°120.0°
H6NBBCBCH8111.0°120.1°
H7CBCCBDH960.3°59.9°
H7CBCCBDH10179.7°NaN°
H7CBCCBDH1159.7°60.0°
H8CBCCBDH960.3°60.0°
H8CBCCBDH1059.7°60.1°
H8CBCCBDH11179.7°180.0°
H9CBDH10H11119.9°119.9°
H16CACCABH1794.5°93.3°
H16CACCABH1827.0°29.1°
H16CACCADH2872.4°67.9°
H16CACCADH2947.5°52.4°
H17CABCAAH194.8°0.0°
H17CABCAAH20126.7°122.4°
H18CABCAAH19116.6°122.4°
H18CABCAAH205.2°0.1°
H19CAACAGH2188.3°93.3°
H20CAACAGH2133.6°29.0°
H21CAGCAFH2252.8°52.4°
H21CAGCAFH2366.9°67.9°
H25CBGH26H27120.0°119.9°

222624

PDB entries from 2024-07-17

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