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7XR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CABCADdoub1.38Å1.38ÅAromatic
CABCACsing1.38Å1.38ÅAromatic
CADCAFsing1.38Å1.38ÅAromatic
CACCAEdoub1.38Å1.38ÅAromatic
CAFCAYdoub1.39Å1.38ÅAromatic
CAECAYsing1.39Å1.38ÅAromatic
CAYNAXsing1.40Å1.32Å
NAXC8sing1.38Å1.31Å
N7C8doub1.31Å1.31ÅAromatic
N7C5sing1.36Å1.32ÅAromatic
C8N9sing1.37Å1.31ÅAromatic
C5C6doub1.40Å1.37ÅAromatic
C5C4sing1.41Å1.37ÅAromatic
N9CBFsing1.46Å1.45Å
N9C4sing1.38Å1.31ÅAromatic
C6N1sing1.32Å1.30ÅAromatic
CBFCAOsing1.54Å1.51Å
CBFCANsing1.54Å1.51Å
C4N3doub1.33Å1.33ÅAromatic
CAOCAMsing1.54Å1.51Å
CANCALsing1.55Å1.52Å
N1C2doub1.33Å1.32ÅAromatic
N3C2sing1.32Å1.33ÅAromatic
CAMCALsing1.55Å1.52Å
C2N2sing1.39Å1.30Å
N2CAZsing1.40Å1.31Å
CAGCAZdoub1.39Å1.38ÅAromatic
CAGCAIsing1.38Å1.38ÅAromatic
CAZCAHsing1.39Å1.38ÅAromatic
CAICBAdoub1.39Å1.38ÅAromatic
CAHCAJdoub1.38Å1.37ÅAromatic
CBACAJsing1.39Å1.37ÅAromatic
CBANBHsing1.40Å1.38Å
CARNBHsing1.47Å1.46Å
CARCAPsing1.53Å1.52Å
NBHCASsing1.47Å1.46Å
CAPNBGsing1.47Å1.46Å
CASCAQsing1.53Å1.51Å
NBGCAQsing1.47Å1.45Å
NBGCAAsing1.47Å1.46Å
C6H1sing1.08Å1.08Å
N2H2sing0.97Å1.00Å
CARH3sing1.09Å1.10Å
CARH4sing1.09Å1.10Å
CAPH5sing1.09Å1.10Å
CAPH6sing1.09Å1.10Å
CAAH8sing1.09Å1.10Å
CAAH9sing1.09Å1.10Å
CAAH10sing1.09Å1.10Å
CAQH11sing1.09Å1.10Å
CAQH12sing1.09Å1.10Å
CASH13sing1.09Å1.10Å
CASH14sing1.09Å1.10Å
CAJH15sing1.08Å1.08Å
CAHH16sing1.08Å1.08Å
CAIH17sing1.08Å1.08Å
CAGH18sing1.08Å1.08Å
CBFH19sing1.09Å1.10Å
CANH20sing1.09Å1.10Å
CANH21sing1.09Å1.10Å
CALH22sing1.09Å1.10Å
CALH23sing1.09Å1.10Å
CAMH24sing1.09Å1.10Å
CAMH25sing1.09Å1.10Å
CAOH26sing1.09Å1.10Å
CAOH27sing1.09Å1.10Å
NAXH28sing0.97Å1.00Å
CAEH29sing1.08Å1.08Å
CACH30sing1.08Å1.08Å
CABH31sing1.08Å1.08Å
CADH32sing1.08Å1.08Å
CAFH33sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CADCABCAC119.7°120.2°
CABCADCAF120.5°120.1°
CADCABH31120.1°119.9°
CABCADH32119.7°120.0°
CABCACCAE119.7°120.1°
CABCACH30120.1°120.0°
CACCABH31120.2°119.9°
CADCAFCAY119.7°119.9°
CAFCADH32119.7°119.9°
CADCAFH33120.2°120.1°
CACCAECAY120.5°119.9°
CACCAEH29119.8°120.1°
CAECACH30120.1°120.0°
CAFCAYCAE119.9°119.9°
CAFCAYNAX121.0°120.1°
CAYCAFH33120.2°120.0°
CAECAYNAX119.1°120.0°
CAYCAEH29119.8°120.0°
CAYNAXC8116.7°120.0°
CAYNAXH28121.6°120.1°
NAXC8N7122.6°125.1°
NAXC8N9127.6°125.1°
C8NAXH28121.6°120.0°
C8N7C5107.0°109.4°
N7C8N9109.8°109.9°
N7C5C6131.9°134.5°
N7C5C4108.6°107.2°
C8N9CBF125.5°126.3°
C8N9C4109.0°107.4°
C6C5C4119.5°118.4°
C5C6N1118.8°118.7°
C5C6H1120.6°120.6°
C5C4N9105.7°106.1°
C5C4N3119.8°119.1°
CBFN9C4125.5°126.3°
N9CBFCAO107.1°110.0°
N9CBFCAN110.7°110.0°
N9CBFH19112.8°110.0°
N9C4N3134.6°134.7°
C6N1C2121.3°121.2°
N1C6H1120.6°120.7°
CAOCBFCAN102.0°106.6°
CBFCAOCAM101.6°106.6°
CAOCBFH19111.9°110.0°
CBFCAOH26111.4°110.0°
CBFCAOH27111.4°110.0°
CBFCANCAL104.8°104.2°
CANCBFH19111.8°110.1°
CBFCANH20110.6°110.5°
CBFCANH21110.6°110.4°
C4N3C2118.6°120.3°
CAOCAMCAL103.8°104.2°
CAOCAMH24110.9°110.5°
CAOCAMH25110.9°110.6°
CAMCAOH26111.4°110.0°
CAMCAOH27111.4°110.0°
CANCALCAM105.9°102.8°
CALCANH20110.6°110.5°
CALCANH21110.6°110.5°
CANCALH22110.3°110.7°
CANCALH23110.4°110.8°
N1C2N3122.1°122.2°
N1C2N2116.5°118.9°
N3C2N2121.4°118.9°
CAMCALH22110.4°110.7°
CAMCALH23110.4°110.9°
CALCAMH24110.9°110.4°
CALCAMH25110.9°110.4°
C2N2CAZ123.3°120.0°
C2N2H2118.3°120.0°
N2CAZCAG121.7°120.0°
N2CAZCAH117.5°120.0°
CAZN2H2118.3°120.0°
CAZCAGCAI119.1°120.0°
CAGCAZCAH120.7°120.0°
CAZCAGH18120.4°120.0°
CAGCAICBA119.8°120.0°
CAGCAIH17120.1°120.0°
CAICAGH18120.4°120.0°
CAZCAHCAJ120.3°120.0°
CAZCAHH16119.8°120.0°
CAICBACAJ120.8°120.0°
CAICBANBH122.2°120.0°
CBACAIH17120.1°120.0°
CAHCAJCBA119.3°120.0°
CAHCAJH15120.4°120.0°
CAJCAHH16119.8°120.0°
CAJCBANBH117.1°120.0°
CBACAJH15120.4°120.0°
CBANBHCAR121.7°111.0°
CBANBHCAS117.7°111.0°
NBHCARCAP108.9°109.4°
CARNBHCAS120.6°110.8°
NBHCARH3109.6°109.5°
NBHCARH4109.6°109.5°
CARCAPNBG108.8°109.4°
CAPCARH3109.6°109.5°
CAPCARH4109.6°109.5°
CARCAPH5109.6°109.5°
CARCAPH6109.7°109.5°
NBHCASCAQ108.5°109.4°
NBHCASH13109.7°109.5°
NBHCASH14109.7°109.5°
CAPNBGCAQ109.1°110.8°
CAPNBGCAA108.9°111.0°
NBGCAPH5109.6°109.5°
NBGCAPH6109.6°109.4°
CASCAQNBG108.1°109.4°
CASCAQH11109.8°109.5°
CASCAQH12109.8°109.5°
CAQCASH13109.7°109.5°
CAQCASH14109.7°109.5°
CAQNBGCAA108.6°111.0°
NBGCAQH11109.8°109.4°
NBGCAQH12109.8°109.4°
NBGCAAH8109.5°109.5°
NBGCAAH9109.4°109.5°
NBGCAAH10109.5°109.5°
H3CARH4109.5°109.5°
H5CAPH6109.4°109.5°
H8CAAH9109.5°109.5°
H8CAAH10109.4°109.4°
H9CAAH10109.5°109.5°
H11CAQH12109.5°109.5°
H13CASH14109.5°109.5°
H20CANH21109.5°110.6°
H22CALH23109.5°110.6°
H24CAMH25109.5°110.4°
H26CAOH27109.4°110.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CADCABCACH31180.0°179.7°
CABCADCAFH32180.0°179.7°
CADCABCACCAE0.1°0.0°
CABCADCAFCAY0.2°0.6°
CADCABCACH30179.9°180.0°
CABCADCAFH33179.8°180.0°
CACCABCADCAF0.3°0.3°
CABCACCAEH30180.0°180.0°
CABCACCAECAY0.3°0.0°
CABCACCAEH29179.7°179.9°
CACCABCADH32179.7°180.0°
CADCAFCAYH33180.0°179.5°
CADCAFCAYCAE0.2°0.6°
CADCAFCAYNAX179.6°179.7°
CAFCADCABH31179.6°180.0°
CACCAECAYCAF0.4°0.3°
CACCAECAYH29180.0°179.9°
CACCAECAYNAX179.9°180.0°
CAECACCABH31179.9°179.7°
CAFCAYCAENAX179.5°179.7°
CAFCAYNAXC8141.6°32.4°
CAFCAYNAXH2838.4°147.5°
CAFCAYCAEH29179.5°179.8°
CAYCAFCADH32179.8°179.7°
CAECAYNAXC837.9°147.9°
CAECAYNAXH28142.1°32.2°
CAYCAECACH30179.7°180.0°
CAECAYCAFH33179.8°180.0°
CAYNAXC8H28180.0°179.9°
CAYNAXC8N78.2°5.3°
CAYNAXC8N9172.2°174.8°
NAXCAYCAEH290.1°0.1°
NAXCAYCAFH330.3°0.3°
NAXC8N7N9179.6°179.9°
NAXC8N7C5179.8°179.7°
NAXC8N9CBF1.5°0.0°
NAXC8N9C4179.8°179.6°
C8N7C5C6179.8°180.0°
C8N7C5C40.2°0.0°
N7C8N9CBF179.0°180.0°
N7C8N9C40.6°0.3°
N7C8NAXH28171.8°174.8°
C5N7C8N90.2°0.2°
N7C5C6C4180.0°180.0°
N7C5C4N90.5°0.2°
N7C5C6N1179.9°179.9°
N7C5C4N3179.6°180.0°
N7C5C6H10.1°0.0°
C8N9C4C50.7°0.3°
C8N9CBFC4178.1°179.6°
C8N9CBFCAO125.1°60.0°
C8N9CBFCAN124.5°57.1°
C8N9C4N3179.6°179.9°
C8N9CBFH191.6°178.6°
N9C8NAXH287.8°5.1°
C6C5C4N9179.5°179.8°
C5C6N1H1180.0°180.0°
C6C5C4N30.4°0.0°
C5C6N1C20.0°0.0°
C5C4N9CBF179.0°180.0°
C5C4N9N3178.9°179.7°
C4C5C6N10.1°0.0°
C5C4N3C20.5°0.1°
C4C5C6H1179.9°180.0°
N9CBFCAOCAN116.3°119.3°
N9CBFCAOH19124.0°121.4°
N9CBFCANH19126.7°121.4°
CBFN9C4N32.1°0.3°
N9CBFCAOCAM163.2°119.3°
N9CBFCANCAL148.6°142.9°
N9CBFCANH2029.4°24.2°
N9CBFCANH2192.1°98.5°
N9CBFCAOH2678.1°121.4°
N9CBFCAOH2744.4°0.0°
C4N9CBFCAO53.0°120.4°
C4N9CBFCAN57.4°122.4°
N9C4N3C2179.3°179.8°
C4N9CBFH19176.5°1.0°
C6N1C2N30.1°0.0°
C6N1C2N2179.9°179.9°
CAOCBFCANH19119.7°119.3°
CBFCAOCAMH26118.8°119.3°
CBFCAOCAMH27118.7°119.2°
CAOCBFCANCAL35.0°23.6°
CBFCAOCAMCAL40.5°23.6°
CAOCBFCANH2084.3°95.1°
CAOCBFCANH21154.3°142.2°
CBFCAOCAMH2478.6°95.0°
CBFCAOCAMH25159.6°142.3°
CBFCAOH26H27123.7°121.4°
CANCBFCAOCAM46.8°0.0°
CBFCANCALH20119.2°118.7°
CBFCANCALH21119.3°118.6°
CBFCANCALCAM10.0°38.0°
CBFCANH20H21122.2°122.6°
CBFCANCALH22129.4°156.3°
CBFCANCALH23109.4°80.6°
CANCBFCAOH26165.6°119.3°
CANCBFCAOH2771.9°119.3°
C4N3C2N10.4°0.1°
C4N3C2N2179.6°180.0°
CAOCAMCALCAN18.8°38.0°
CAOCAMCALH24119.1°118.7°
CAOCAMCALH25119.1°118.8°
CAMCAOCBFH1972.8°119.3°
CAOCAMCALH22100.6°156.3°
CAOCAMCALH23138.3°80.5°
CAOCAMH24H25122.6°122.8°
CAMCAOH26H27123.6°121.4°
CANCALCAMH22119.4°118.3°
CANCALCAMH23119.4°118.4°
CALCANCBFH1984.7°95.7°
CALCANH20H21122.2°122.7°
CANCALH22H23121.7°123.2°
CANCALCAMH24100.2°80.7°
CANCALCAMH25137.9°156.8°
N1C2N3N2180.0°179.9°
N1C2N2CAZ169.9°0.8°
C2N1C6H1180.0°180.0°
N1C2N2H210.1°179.3°
N3C2N2CAZ10.2°179.3°
N3C2N2H2169.8°0.6°
CAMCALCANH20109.2°80.7°
CAMCALCANH21129.3°156.6°
CAMCALH22H23121.7°123.4°
CALCAMH24H25122.6°122.5°
CALCAMCAOH26159.3°95.7°
CALCAMCAOH2778.2°142.9°
C2N2CAZH2180.0°179.9°
C2N2CAZCAG5.8°144.1°
C2N2CAZCAH174.4°36.5°
N2CAZCAGCAH179.8°179.3°
N2CAZCAGCAI179.6°180.0°
N2CAZCAHCAJ179.6°179.8°
N2CAZCAHH160.4°0.2°
N2CAZCAGH180.4°0.7°
CAZCAGCAIH18180.0°179.3°
CAZCAGCAICBA0.1°0.4°
CAGCAZCAHCAJ0.2°0.5°
CAGCAZN2H2174.2°36.0°
CAGCAZCAHH16179.8°179.6°
CAZCAGCAIH17179.8°179.6°
CAICAGCAZCAH0.2°0.7°
CAGCAICBAH17180.0°180.0°
CAGCAICBACAJ0.1°0.1°
CAGCAICBANBH179.7°179.7°
CAZCAHCAJH16180.0°179.9°
CAZCAHCAJCBA0.2°0.0°
CAHCAZN2H25.6°143.4°
CAZCAHCAJH15179.8°180.0°
CAHCAZCAGH18179.8°180.0°
CAICBACAJCAH0.1°0.3°
CAICBACAJNBH179.6°179.7°
CAICBANBHCAR6.2°0.3°
CAICBANBHCAS172.4°123.5°
CAICBACAJH15179.9°179.7°
CBACAICAGH18179.9°179.7°
CAHCAJCBAH15180.0°180.0°
CAHCAJCBANBH179.8°179.9°
CAJCBANBHCAR174.2°180.0°
CAJCBANBHCAS7.2°56.2°
CBACAJCAHH16179.8°180.0°
CAJCBACAIH17179.9°180.0°
CBANBHCARCAS178.6°123.9°
CBANBHCARCAP134.5°176.8°
CBANBHCASCAQ133.1°176.8°
CBANBHCARH314.6°63.2°
CBANBHCARH4105.6°56.8°
CBANBHCASH13107.0°56.8°
CBANBHCASH1413.3°63.2°
NBHCBACAJH150.3°0.0°
NBHCBACAIH170.3°0.3°
NBHCARCAPH3119.9°120.0°
NBHCARCAPH4119.9°119.9°
NBHCARCAPNBG51.7°58.5°
CARNBHCASCAQ45.5°59.3°
NBHCARH3H4120.3°120.0°
NBHCARCAPH568.2°61.5°
NBHCARCAPH6171.6°178.3°
CARNBHCASH1374.4°179.3°
CARNBHCASH14165.3°60.7°
CAPCARNBHCAS44.1°59.3°
CARCAPNBGH5119.9°120.0°
CARCAPNBGH6119.9°119.9°
CARCAPNBGCAQ67.6°59.3°
CARCAPNBGCAA174.1°176.8°
CAPCARH3H4120.3°120.0°
CARCAPH5H6120.3°120.1°
NBHCASCAQH13119.9°119.9°
NBHCASCAQH14119.9°120.1°
NBHCASCAQNBG54.5°58.4°
CASNBHCARH3164.0°60.7°
CASNBHCARH475.9°179.3°
NBHCASCAQH11174.3°61.5°
NBHCASCAQH1265.2°178.4°
NBHCASH13H14120.4°120.1°
CAPNBGCAQCAS69.0°59.3°
CAPNBGCAQCAA118.6°123.9°
NBGCAPCARH3171.6°61.6°
NBGCAPCARH468.2°178.4°
NBGCAPH5H6120.3°120.0°
CAPNBGCAAH8180.0°60.0°
CAPNBGCAAH960.0°180.0°
CAPNBGCAAH1060.0°60.0°
CAPNBGCAQH11171.2°60.6°
CAPNBGCAQH1250.8°179.3°
CASCAQNBGH11119.8°120.0°
CASCAQNBGH12119.8°120.0°
CASCAQNBGCAA172.5°176.8°
CASCAQH11H12120.6°120.2°
CAQCASH13H14120.4°120.0°
CAQNBGCAPH552.3°60.7°
CAQNBGCAPH6172.5°179.3°
CAQNBGCAAH861.4°176.2°
CAQNBGCAAH958.6°56.2°
CAQNBGCAAH10178.7°63.8°
NBGCAQH11H12120.6°120.0°
NBGCAQCASH1365.3°178.4°
NBGCAQCASH14174.4°61.6°
CAANBGCAPH566.0°63.2°
CAANBGCAPH654.1°56.9°
NBGCAAH8H9120.0°120.0°
NBGCAAH8H10120.0°120.0°
NBGCAAH9H10120.0°120.0°
CAANBGCAQH1152.7°63.2°
CAANBGCAQH1267.7°56.8°
H3CARCAPH551.7°178.5°
H3CARCAPH668.5°58.3°
H4CARCAPH5171.9°58.4°
H4CARCAPH651.7°61.7°
H8CAAH9H10120.0°120.0°
H11CAQCASH1354.5°58.5°
H11CAQCASH1465.8°178.5°
H12CAQCASH13174.9°61.7°
H12CAQCASH1454.6°58.3°
H15CAJCAHH160.2°0.1°
H17CAICAGH180.2°0.3°
H19CBFCANH20156.1°145.6°
H19CBFCANH2134.6°23.0°
H19CBFCAOH2645.9°0.0°
H19CBFCAOH27168.5°121.4°
H20CANCALH2210.2°37.6°
H20CANCALH23131.3°160.8°
H21CANCALH22111.3°85.1°
H21CANCALH239.8°38.0°
H22CALCAMH24140.4°37.6°
H22CALCAMH2518.5°84.9°
H23CALCAMH2419.2°160.8°
H23CALCAMH25102.6°38.4°
H24CAMCAOH2640.2°145.7°
H24CAMCAOH27162.7°24.2°
H25CAMCAOH2681.6°23.0°
H25CAMCAOH2740.9°98.4°
H29CAECACH300.3°0.0°
H30CACCABH310.1°0.2°
H31CABCADH320.4°0.3°
H32CADCAFH330.2°0.2°

222624

PDB entries from 2024-07-17

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