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M2D

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OBCCAFdoub1.22Å1.23Å
CADCACsing1.51Å1.40Å
CADCAEdoub1.33Å1.39Å
CBACAZsing1.53Å1.53Å
CACCABsing1.53Å1.54Å
CACCBBsing1.53Å1.53Å
CAFCAEsing1.47Å1.39Å
CAFNAGsing1.35Å1.42Å
CAICAJdoub1.32Å1.41Å
CAICAHsing1.50Å1.40Å
CABCAZsing1.53Å1.53Å
CABOAAsing1.45Å1.42Å
CAJCAKsing1.46Å1.40Å
CAHNAGsing1.47Å1.50Å
CAZCBJsing1.53Å1.53Å
OCdoub1.21Å1.23Å
CAKCALdoub1.33Å1.41Å
CAKCBDsing1.51Å1.39Å
CALCAMsing1.51Å1.41Å
OAACsing1.34Å1.35Å
CCAsing1.51Å1.39Å
OBECAMsing1.43Å1.44Å
CAMCANsing1.53Å1.55Å
CANsing1.47Å1.47Å
CACBsing1.53Å1.53Å
CAPCAQsing1.51Å1.39Å
CAPCAOsing1.53Å1.52Å
NCAYsing1.36Å1.39Å
NAUCAQdoub1.30Å1.33ÅAromatic
NAUCATsing1.36Å1.33ÅAromatic
CANCAOsing1.53Å1.55Å
CAQOARsing1.34Å1.36ÅAromatic
CAYCATsing1.47Å1.33Å
CAYOBIdoub1.22Å1.23Å
CATCASdoub1.36Å1.33ÅAromatic
CAOOBFsing1.43Å1.43Å
OARCASsing1.34Å1.35ÅAromatic
CBAH1sing1.09Å1.10Å
CBAH2sing1.09Å1.10Å
CBAH3sing1.09Å1.10Å
CAZH4sing1.09Å1.10Å
CBJH5sing1.09Å1.10Å
CBJH6sing1.09Å1.10Å
CBJH7sing1.09Å1.10Å
CABH8sing1.09Å1.10Å
CAH9sing1.09Å1.10Å
CBH10sing1.09Å1.10Å
CBH11sing1.09Å1.10Å
CBH12sing1.09Å1.10Å
NH13sing0.97Å1.00Å
CASH14sing1.08Å1.08Å
CAPH15sing1.09Å1.10Å
CAPH16sing1.09Å1.10Å
CAOH17sing1.09Å1.10Å
OBFH18sing0.97Å0.95Å
CANH19sing1.09Å1.10Å
CANH20sing1.09Å1.10Å
CAMH21sing1.09Å1.10Å
OBEH22sing0.97Å0.95Å
CALH23sing1.08Å1.08Å
CBDH25sing1.09Å1.10Å
CBDH26sing1.09Å1.10Å
CBDH27sing1.09Å1.10Å
CAJH28sing1.09Å1.08Å
CAIH29sing1.09Å1.08Å
CAHH31sing1.09Å1.10Å
CAHH32sing1.09Å1.10Å
NAGH33sing0.97Å1.00Å
CAEH34sing1.08Å1.08Å
CADH35sing1.08Å1.08Å
CACH36sing1.09Å1.10Å
CBBH37sing1.09Å1.10Å
CBBH38sing1.09Å1.10Å
CBBH39sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OBCCAFCAE118.5°119.9°
OBCCAFNAG122.1°120.0°
CACCADCAE121.5°120.0°
CADCACCAB109.4°109.4°
CADCACCBB110.5°109.5°
CACCADH35119.3°120.0°
CADCACH36110.6°109.5°
CADCAECAF123.2°120.0°
CADCAEH34118.4°119.8°
CAECADH35119.3°120.0°
CBACAZCAB111.4°109.5°
CBACAZCBJ109.1°109.5°
CAZCBAH1109.5°109.5°
CAZCBAH2109.5°109.5°
CAZCBAH3109.4°109.4°
CBACAZH4109.4°109.4°
CABCACCBB109.0°109.4°
CACCABCAZ112.7°109.4°
CACCABOAA109.3°109.6°
CACCABH8109.0°109.5°
CABCACH36108.6°109.6°
CBBCACH36108.8°109.5°
CACCBBH37109.5°109.5°
CACCBBH38109.4°109.5°
CACCBBH39109.5°109.5°
CAECAFNAG119.3°120.1°
CAFCAEH34118.4°120.2°
CAFNAGCAH126.6°118.7°
CAFNAGH33116.7°120.7°
CAJCAICAH134.6°122.5°
CAICAJCAK137.7°123.3°
CAICAJH28111.2°117.5°
CAJCAIH29112.7°118.6°
CAICAHNAG109.4°109.5°
CAHCAIH29112.7°118.9°
CAICAHH31109.5°109.5°
CAICAHH32109.5°109.5°
CAZCABOAA106.3°109.5°
CABCAZCBJ108.2°109.5°
CABCAZH4109.4°109.5°
CAZCABH8109.0°109.4°
CABOAAC115.2°117.0°
OAACABH8110.6°109.5°
CAJCAKCAL116.6°120.0°
CAJCAKCBD123.2°121.2°
CAKCAJH28111.2°119.1°
NAGCAHH31109.5°109.4°
NAGCAHH32109.5°109.5°
CAHNAGH33116.7°120.6°
CBJCAZH4109.4°109.4°
CAZCBJH5109.5°109.4°
CAZCBJH6109.5°109.5°
CAZCBJH7109.5°109.5°
OCOAA124.9°119.9°
OCCA122.2°120.0°
CALCAKCBD120.2°118.8°
CAKCALCAM124.6°119.9°
CAKCALH23117.7°119.9°
CAKCBDH25109.5°109.5°
CAKCBDH26109.4°109.5°
CAKCBDH27109.5°109.5°
CALCAMOBE108.4°109.4°
CALCAMCAN115.1°109.6°
CALCAMH21109.3°109.5°
CAMCALH23117.7°120.2°
OAACCA112.9°120.1°
CCAN113.3°109.1°
CCACB109.9°109.6°
CCAH9109.0°109.5°
OBECAMCAN107.5°109.4°
OBECAMH21108.9°109.4°
CAMOBEH22109.5°114.0°
CAMCANCAO114.5°109.4°
CAMCANH19108.2°109.5°
CAMCANH20108.2°109.5°
CANCAMH21107.5°109.4°
NCACB109.5°109.5°
CANCAY119.5°118.1°
NCAH9107.8°109.5°
CANH13120.2°120.9°
CBCAH9107.1°109.6°
CACBH10109.5°109.5°
CACBH11109.4°109.5°
CACBH12109.5°109.5°
CAQCAPCAO114.0°109.3°
CAPCAQNAU119.1°125.2°
CAPCAQOAR133.7°125.5°
CAQCAPH15108.3°109.5°
CAQCAPH16108.3°109.5°
CAPCAOCAN108.7°109.5°
CAPCAOOBF110.7°109.5°
CAOCAPH15108.3°109.5°
CAOCAPH16108.3°109.5°
CAPCAOH17108.7°109.5°
NCAYCAT118.3°119.1°
NCAYOBI119.7°120.5°
CAYNH13120.3°121.0°
CAQNAUCAT108.9°108.5°
NAUCAQOAR107.2°109.2°
NAUCATCAY117.9°126.2°
NAUCATCAS108.9°107.1°
CANCAOOBF110.6°109.5°
CANCAOH17108.3°109.4°
CAOCANH19108.2°109.5°
CAOCANH20108.2°109.5°
CAQOARCAS107.8°108.3°
CATCAYOBI122.0°120.4°
CAYCATCAS133.2°126.7°
CATCASOAR107.2°106.9°
CATCASH14126.4°126.5°
OBFCAOH17109.8°109.5°
CAOOBFH18109.5°114.0°
OARCASH14126.4°126.6°
H1CBAH2109.5°109.5°
H1CBAH3109.5°109.4°
H2CBAH3109.5°109.5°
H5CBJH6109.5°109.5°
H5CBJH7109.5°109.5°
H6CBJH7109.4°109.5°
H10CBH11109.5°109.4°
H10CBH12109.4°109.5°
H11CBH12109.5°109.5°
H15CAPH16109.5°109.5°
H19CANH20109.5°109.5°
H25CBDH26109.5°109.5°
H25CBDH27109.5°109.4°
H26CBDH27109.5°109.4°
H31CAHH32109.5°109.4°
H37CBBH38109.5°109.5°
H37CBBH39109.5°109.4°
H38CBBH39109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OBCCAFCAECAD1.2°4.0°
OBCCAFCAENAG179.6°179.9°
OBCCAFNAGCAH1.7°178.8°
OBCCAFNAGH33178.3°1.3°
OBCCAFCAEH34178.8°176.3°
CACCADCAEH35180.0°179.9°
CADCACCABCBB120.9°119.9°
CADCACCABH36120.7°120.0°
CADCACCBBH36121.5°120.0°
CACCADCAECAF178.4°179.9°
CADCACCABCAZ172.5°20.0°
CADCACCABOAA69.5°140.0°
CADCACCABH851.4°99.9°
CACCADCAEH341.6°0.3°
CADCACCBBH37180.0°60.0°
CADCACCBBH3860.0°180.0°
CADCACCBBH3960.0°60.0°
CAECADCACCAB86.9°89.1°
CAECADCACCBB33.2°151.0°
CADCAECAFH34180.0°179.7°
CADCAECAFNAG179.1°175.9°
CAECADCACH36153.6°31.0°
CBACAZCABCAC54.6°161.7°
CBACAZCABCBJ119.9°120.1°
CBACAZCABH4121.1°120.0°
CBACAZCABOAA174.2°41.6°
CBACAZCBJH4119.7°119.9°
CAZCBAH1H2120.0°120.1°
CAZCBAH1H3120.0°119.9°
CAZCBAH2H3120.0°119.9°
CBACAZCBJH5180.0°57.9°
CBACAZCBJH660.0°177.9°
CBACAZCBJH760.0°62.0°
CBACAZCABH866.6°78.3°
CABCACCBBH36118.2°120.1°
CACCABCAZOAA119.7°120.1°
CACCABCAZH8121.1°119.9°
CACCABOAAH8119.9°120.1°
CACCABCAZCBJ174.4°78.2°
CACCABOAAC111.7°154.6°
CACCABCAZH466.5°41.7°
CABCACCADH3593.1°90.8°
CABCACCBBH3759.8°59.9°
CABCACCBBH38179.8°60.1°
CABCACCBBH3960.3°179.9°
CBBCACCABCAZ66.6°140.0°
CBBCACCABOAA51.4°100.0°
CBBCACCABH8172.3°20.1°
CBBCACCADH35146.9°29.1°
CACCBBH37H38120.0°120.0°
CACCBBH37H39120.0°120.0°
CACCBBH38H39120.0°120.0°
CAECAFNAGCAH178.7°1.1°
CAECAFNAGH331.3°178.8°
CAFCAECADH351.6°0.1°
CAFNAGCAHCAI50.8°165.4°
CAFNAGCAHH33180.0°179.9°
CAFNAGCAHH3169.2°74.6°
CAFNAGCAHH32170.8°45.4°
NAGCAFCAEH340.8°3.8°
CAJCAICAHH29180.0°179.9°
CAICAJCAKH28180.0°176.2°
CAJCAICAHNAG113.9°134.5°
CAICAJCAKCAL179.4°138.3°
CAICAJCAKCBD1.4°43.7°
CAJCAICAHH31126.1°14.5°
CAJCAICAHH326.1°105.4°
CAHCAICAJCAK2.6°1.5°
CAICAHNAGH31120.0°120.0°
CAICAHNAGH32120.0°120.1°
CAHCAICAJH28177.5°174.7°
CAICAHH31H32120.0°120.0°
CAICAHNAGH33129.2°14.5°
CAZCABOAAH8118.2°119.9°
CABCAZCBJH4119.1°120.0°
CAZCABOAAC126.3°85.4°
CABCAZCBAH1180.0°180.0°
CABCAZCBAH260.0°59.9°
CABCAZCBAH360.0°60.1°
CABCAZCBJH558.7°62.1°
CABCAZCBJH661.3°57.9°
CABCAZCBJH7178.8°177.9°
CAZCABCACH3651.8°100.0°
OAACABCAZCBJ65.9°161.7°
CABOAACO1.3°0.2°
CABOAACCA178.8°179.9°
OAACABCAZH453.2°78.3°
OAACABCACH36169.7°20.0°
CAJCAKCALCBD178.0°178.0°
CAJCAKCALCAM178.9°177.8°
CAJCAKCALH231.1°2.2°
CAJCAKCBDH25180.0°116.6°
CAJCAKCBDH2660.0°3.4°
CAJCAKCBDH2760.0°123.4°
CAKCAJCAIH29177.5°178.4°
NAGCAHCAIH2966.0°45.4°
NAGCAHH31H32120.0°120.0°
CBJCAZCBAH160.7°59.9°
CBJCAZCBAH259.3°180.0°
CBJCAZCBAH3179.3°60.0°
CAZCBJH5H6120.0°120.0°
CAZCBJH5H7120.0°120.0°
CAZCBJH6H7120.0°120.0°
CBJCAZCABH853.3°41.7°
OCOAACA179.9°180.0°
OCCAN0.8°115.3°
OCCACB122.0°4.7°
OCCAH9120.9°124.9°
CAKCALCAMH23180.0°180.0°
CAKCALCAMOBE103.2°126.7°
CAKCALCAMCAN136.4°113.2°
CAKCALCAMH2115.4°6.8°
CALCAKCBDH252.1°65.4°
CALCAKCBDH26117.9°174.6°
CALCAKCBDH27122.1°54.6°
CALCAKCAJH280.6°37.9°
CBDCAKCALCAM3.0°0.3°
CBDCAKCALH23176.9°179.8°
CAKCBDH25H26120.0°120.1°
CAKCBDH25H27120.0°120.1°
CAKCBDH26H27120.0°120.0°
CBDCAKCAJH28178.6°140.1°
CALCAMOBECAN125.0°120.2°
CALCAMOBEH21118.8°120.0°
CALCAMCANH21122.0°120.1°
CALCAMCANCAO67.7°156.7°
CALCAMCANH19171.6°36.8°
CALCAMCANH2053.1°83.3°
CALCAMOBEH22180.0°59.9°
OAACCAN179.1°64.8°
OAACCACB58.1°175.3°
COAACABH88.2°34.5°
OAACCAH959.0°55.1°
CCANCB123.1°119.9°
CCANH9120.7°119.9°
CCACBH9118.2°120.2°
CCANCAY93.5°154.4°
CCACBH10180.0°75.5°
CCACBH1160.0°164.5°
CCACBH1260.0°44.5°
CCANH1386.5°25.5°
OBECAMCANH21117.1°119.9°
OBECAMCANCAO171.4°83.2°
OBECAMCANH1950.7°156.8°
OBECAMCANH2067.8°36.8°
OBECAMCALH2376.8°53.3°
CAMCANCAOCAP109.3°153.0°
CAMCANCAOH19120.7°120.0°
CAMCANCAOH20120.7°120.0°
CAMCANCAOOBF12.4°86.9°
CAMCANCAOH17132.8°33.0°
CAMCANH19H20117.7°120.1°
CANCAMOBEH2255.0°180.0°
CANCAMCALH2343.6°66.8°
NCACBH9116.7°120.2°
CANCAYH13180.0°179.9°
CANCAYCAT177.2°180.0°
CANCAYOBI1.7°0.1°
NCACBH1054.9°44.1°
NCACBH11175.0°75.9°
NCACBH1265.0°164.1°
CBCANCAY143.4°34.5°
CACBH10H11120.0°120.1°
CACBH10H12120.0°120.0°
CACBH11H12120.0°120.0°
CBCANH1336.6°145.4°
CAQCAPCAOH15120.6°120.0°
CAQCAPCAOH16120.7°119.9°
CAPCAQNAUOAR178.5°180.0°
CAPCAQNAUCAT179.1°179.9°
CAQCAPCAOCAN171.6°127.8°
CAQCAPCAOOBF49.9°7.8°
CAPCAQOARCAS178.7°179.9°
CAQCAPH15H16118.0°120.1°
CAQCAPCAOH1770.8°112.2°
CAOCAPCAQNAU79.8°34.1°
CAPCAOCANOBF121.7°120.1°
CAPCAOCANH17117.9°120.0°
CAOCAPCAQOAR102.2°145.9°
CAPCAOOBFH17120.0°120.0°
CAOCAPH15H16117.9°120.1°
CAPCAOOBFH18180.0°60.0°
CAPCAOCANH19129.9°87.0°
CAPCAOCANH2011.4°33.0°
NCAYCATNAU3.2°0.0°
NCAYCATOBI178.9°180.0°
NCAYCATCAS176.3°179.9°
CAYNCAH927.2°85.7°
CAQNAUCATCAY179.2°180.0°
CAQNAUCATCAS0.4°0.1°
NAUCAQOARCAS0.6°0.1°
NAUCAQCAPH1540.9°85.9°
NAUCAQCAPH16159.6°154.1°
CATNAUCAQOAR0.6°0.1°
NAUCATCAYCAS179.5°180.0°
NAUCATCAYOBI177.9°180.0°
NAUCATCASOAR0.0°0.0°
NAUCATCASH14180.0°180.0°
CANCAOOBFH17119.5°119.9°
CANCAOCAPH1551.0°7.8°
CANCAOCAPH1667.7°112.3°
CANCAOOBFH1859.5°179.9°
CAOCANH19H20117.7°120.0°
CAOCANCAMH2154.3°36.6°
CAQOARCASCAT0.3°0.0°
CAQOARCASH14179.7°179.9°
OARCAQCAPH15137.1°94.1°
OARCAQCAPH1618.4°26.0°
CAYCATCASOAR179.5°180.0°
CATCAYNH132.8°0.0°
CAYCATCASH140.5°0.0°
OBICAYCATCAS2.6°0.0°
OBICAYNH13178.2°180.0°
CATCASOARH14180.0°180.0°
OBFCAOCAPH1570.7°112.2°
OBFCAOCAPH16170.6°127.7°
OBFCAOCANH19108.4°33.0°
OBFCAOCANH20133.1°153.0°
H1CBAH2H3120.0°120.0°
H1CBACAZH458.9°60.0°
H2CBACAZH4178.9°60.1°
H3CBACAZH461.1°179.9°
H4CAZCBJH560.3°177.9°
H4CAZCBJH6179.7°62.1°
H4CAZCBJH759.7°57.9°
H4CAZCABH8172.4°161.7°
H5CBJH6H7120.0°120.0°
H8CABCACH3669.4°140.1°
H9CACBH1061.8°164.3°
H9CACBH1158.3°44.3°
H9CACBH12178.3°75.7°
H9CANH13152.8°94.4°
H10CBH11H12120.0°120.0°
H15CAPCAOH17168.6°127.8°
H16CAPCAOH1749.9°7.7°
H17CAOOBFH1860.0°60.0°
H17CAOCANH1912.0°153.0°
H17CAOCANH20106.5°87.0°
H19CANCAMH2166.4°83.3°
H20CANCAMH21175.0°156.6°
H21CAMOBEH2261.2°60.1°
H21CAMCALH23164.6°173.1°
H25CBDH26H27120.0°119.9°
H28CAJCAIH292.5°5.3°
H29CAICAHH3153.9°165.4°
H29CAICAHH32174.0°74.6°
H31CAHNAGH33110.8°105.5°
H32CAHNAGH339.2°134.5°
H34CAECADH35178.4°179.6°
H35CADCACH3626.4°149.1°
H36CACCBBH3758.4°180.0°
H36CACCBBH3861.6°60.0°
H36CACCBBH39178.5°60.0°
H37CBBH38H39120.0°119.9°

222415

PDB entries from 2024-07-10

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