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3XY

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CANCALsing1.53Å1.52Å
CANNBFsing1.47Å1.51Å
CALCBEsing1.53Å1.55Å
CAPNBFsing1.47Å1.50Å
CAPCAWsing1.51Å1.47Å
NBFCAOsing1.47Å1.49Å
FADCBGsing1.40Å1.31Å
CAWCAGdoub1.39Å1.42ÅAromatic
CAWCAIsing1.36Å1.42ÅAromatic
CAGCAHsing1.38Å1.40ÅAromatic
CBENATsing1.47Å1.49Å
CBECAMsing1.53Å1.52Å
N1C2doub1.32Å1.39ÅAromatic
N1C6sing1.33Å1.37ÅAromatic
CAICBAdoub1.40Å1.37ÅAromatic
NATC6sing1.38Å1.36Å
FACCBGsing1.40Å1.34Å
C2N3sing1.31Å1.39ÅAromatic
C6C5doub1.42Å1.39ÅAromatic
CAHCBBdoub1.39Å1.37ÅAromatic
CAOCAMsing1.53Å1.54Å
CBGFABsing1.40Å1.32Å
CBGCAQsing1.53Å1.53Å
N3C4doub1.34Å1.36ÅAromatic
C5C4sing1.40Å1.37ÅAromatic
C5CAKsing1.45Å1.36ÅAromatic
C4SAVsing1.76Å1.74ÅAromatic
CBACBBsing1.41Å1.34ÅAromatic
CBACAJsing1.42Å1.36ÅAromatic
CAKCAYdoub1.32Å1.37ÅAromatic
CBBNAUsing1.38Å1.35ÅAromatic
CAYSAVsing1.75Å1.69ÅAromatic
CAYCAQsing1.51Å1.52Å
CAJCAXdoub1.36Å1.35ÅAromatic
NAUCAXsing1.38Å1.30ÅAromatic
CAXCAEsing1.43Å1.41Å
CAENAAtrip1.14Å1.12Å
CAQH1sing1.09Å1.10Å
CAQH2sing1.09Å1.10Å
CAKH3sing1.08Å1.08Å
C2H4sing1.08Å1.08Å
NATH5sing0.97Å1.00Å
CBEH6sing1.09Å1.10Å
CAMH7sing1.09Å1.10Å
CAMH8sing1.09Å1.10Å
CAOH9sing1.09Å1.10Å
CAOH10sing1.09Å1.10Å
CALH11sing1.09Å1.10Å
CALH12sing1.09Å1.10Å
CANH13sing1.09Å1.10Å
CANH14sing1.09Å1.10Å
CAPH16sing1.09Å1.10Å
CAPH17sing1.09Å1.10Å
CAIH18sing1.08Å1.08Å
CAJH19sing1.08Å1.08Å
NAUH20sing0.97Å1.00Å
CAHH21sing1.08Å1.08Å
CAGH22sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CALCANNBF115.1°109.5°
CANCALCBE110.0°109.3°
CANCALH11109.3°109.5°
CANCALH12109.3°109.5°
CALCANH13108.0°109.5°
CALCANH14108.0°109.5°
CANNBFCAP106.9°111.0°
CANNBFCAO110.8°111.2°
NBFCANH13108.0°109.5°
NBFCANH14108.1°109.4°
CALCBENAT110.6°109.5°
CALCBECAM112.7°109.2°
CALCBEH6109.0°109.6°
CBECALH11109.3°109.6°
CBECALH12109.3°109.5°
NBFCAPCAW113.0°109.5°
CAPNBFCAO111.3°111.0°
NBFCAPH16108.6°109.5°
NBFCAPH17108.6°109.5°
CAPCAWCAG121.6°119.7°
CAPCAWCAI121.9°119.7°
CAWCAPH16108.6°109.5°
CAWCAPH17108.6°109.5°
NBFCAOCAM107.0°109.5°
NBFCAOH9110.1°109.5°
NBFCAOH10110.1°109.4°
FADCBGFAC109.0°109.5°
FADCBGFAB108.7°109.5°
FADCBGCAQ110.3°109.5°
CAGCAWCAI116.4°120.6°
CAWCAGCAH119.9°120.6°
CAWCAGH22120.0°119.7°
CAWCAICBA120.9°119.8°
CAWCAIH18119.5°120.1°
CAGCAHCBB120.5°119.8°
CAGCAHH21119.7°120.1°
CAHCAGH22120.0°119.7°
NATCBECAM105.2°109.5°
CBENATC6120.7°120.0°
CBENATH5106.6°120.0°
NATCBEH6109.8°109.5°
CBECAMCAO111.8°109.3°
CAMCBEH6109.4°109.5°
CBECAMH7108.9°109.5°
CBECAMH8108.9°109.5°
C2N1C6120.6°121.2°
N1C2N3119.3°122.1°
N1C2H4120.3°118.9°
N1C6NAT117.6°120.5°
N1C6C5120.4°118.9°
CAICBACBB121.9°119.7°
CAICBACAJ131.6°133.4°
CBACAIH18119.5°120.1°
NATC6C5121.9°120.5°
C6NATH5106.6°120.0°
FACCBGFAB108.0°109.4°
FACCBGCAQ109.4°109.5°
C2N3C4118.8°121.1°
N3C2H4120.3°119.0°
C6C5C4117.5°117.5°
C6C5CAK130.7°130.4°
CAHCBBCBA120.3°119.5°
CAHCBBNAU130.6°133.1°
CBBCAHH21119.8°120.1°
CAOCAMH7108.9°109.5°
CAOCAMH8108.9°109.6°
CAMCAOH9110.1°109.5°
CAMCAOH10110.1°109.4°
FABCBGCAQ111.4°109.4°
CBGCAQCAY109.8°109.5°
CBGCAQH1109.4°109.5°
CBGCAQH2109.4°109.5°
N3C4C5123.2°119.2°
N3C4SAV125.7°131.3°
C4C5CAK111.8°112.0°
C5C4SAV111.1°109.6°
C5CAKCAY115.0°114.8°
C5CAKH3122.5°122.6°
C4SAVCAY91.1°92.2°
CBBCBACAJ106.4°107.0°
CBACBBNAU109.2°107.4°
CBACAJCAX107.1°107.7°
CBACAJH19126.4°126.1°
CAKCAYSAV111.0°111.4°
CAKCAYCAQ124.3°124.3°
CAYCAKH3122.5°122.6°
CBBNAUCAX107.7°108.8°
CBBNAUH20126.2°125.7°
SAVCAYCAQ124.7°124.3°
CAYCAQH1109.4°109.5°
CAYCAQH2109.4°109.4°
CAJCAXNAU109.6°109.1°
CAJCAXCAE131.1°125.4°
CAXCAJH19126.4°126.1°
NAUCAXCAE119.2°125.4°
CAXNAUH20126.1°125.6°
CAXCAENAA178.3°179.9°
H1CAQH2109.5°109.4°
H7CAMH8109.4°109.5°
H9CAOH10109.5°109.5°
H11CALH12109.5°109.5°
H13CANH14109.5°109.4°
H16CAPH17109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CALCANNBFH13120.8°120.0°
CALCANNBFH14120.8°120.1°
CANCALCBEH11120.1°120.0°
CANCALCBEH12120.1°119.9°
CALCANNBFCAP178.6°174.1°
CALCANNBFCAO57.1°61.8°
CANCALCBENAT163.8°177.6°
CANCALCBECAM46.4°57.7°
CANCALCBEH675.3°62.3°
CANCALH11H12119.7°120.1°
CALCANH13H14117.4°120.0°
NBFCANCALCBE47.6°59.2°
CANNBFCAPCAO121.2°124.2°
CANNBFCAPCAW175.0°170.0°
CANNBFCAOCAM60.9°61.7°
CANNBFCAOH9179.5°58.3°
CANNBFCAOH1058.7°178.3°
NBFCANCALH11167.6°60.8°
NBFCANCALH1272.5°179.1°
NBFCANH13H14117.4°119.9°
CANNBFCAPH1654.5°50.0°
CANNBFCAPH1764.5°70.0°
CALCBENATCAM122.0°119.7°
CALCBENATH6120.4°120.2°
CALCBECAMH6121.5°120.0°
CALCBENATC6105.0°85.3°
CALCBECAMCAO55.3°57.7°
CALCBENATH516.6°94.7°
CALCBECAMH7175.7°177.6°
CALCBECAMH865.0°62.3°
CBECALH11H12119.7°120.1°
CBECALCANH13168.4°179.2°
CBECALCANH1473.3°60.8°
NBFCAPCAWH16120.5°120.0°
NBFCAPCAWH17120.5°120.0°
NBFCAPCAWCAG58.2°90.0°
NBFCAPCAWCAI125.6°89.7°
CAPNBFCAOCAM179.7°174.2°
CAPNBFCAOH960.7°65.8°
CAPNBFCAOH1060.1°54.2°
CAPNBFCANH1360.6°54.1°
CAPNBFCANH1457.7°65.8°
NBFCAPH16H17118.4°120.0°
CAWCAPNBFCAO63.9°65.8°
CAPCAWCAGCAI176.3°179.7°
CAPCAWCAGCAH179.5°179.8°
CAPCAWCAICBA176.7°180.0°
CAWCAPH16H17118.4°120.0°
CAPCAWCAIH183.3°0.0°
CAPCAWCAGH220.5°0.0°
NBFCAOCAMCBE61.5°59.2°
NBFCAOCAMH9119.6°120.0°
NBFCAOCAMH10119.6°120.0°
NBFCAOCAMH7178.1°179.1°
NBFCAOCAMH858.8°60.8°
NBFCAOH9H10121.2°120.0°
CAONBFCANH13178.0°178.2°
CAONBFCANH1463.7°58.3°
CAONBFCAPH16175.6°174.2°
CAONBFCAPH1756.7°54.2°
FADCBGFACFAB117.9°120.0°
FADCBGFACCAQ120.7°120.0°
FADCBGFABCAQ121.7°120.0°
FADCBGCAQCAY59.3°180.0°
FADCBGCAQH1179.4°60.0°
FADCBGCAQH260.7°60.0°
CAWCAGCAHH22180.0°179.8°
CAGCAWCAICBA0.4°0.2°
CAWCAGCAHCBB3.6°0.5°
CAGCAWCAPH1662.3°30.0°
CAGCAWCAPH17178.8°150.0°
CAGCAWCAIH18179.6°179.7°
CAWCAGCAHH21176.4°179.8°
CAICAWCAGCAH3.1°0.5°
CAWCAICBAH18180.0°180.0°
CAWCAICBACBB2.1°0.0°
CAWCAICBACAJ178.8°180.0°
CAICAWCAPH16113.9°150.3°
CAICAWCAPH175.1°30.3°
CAICAWCAGH22176.9°179.7°
CAGCAHCBBH21180.0°179.8°
CAGCAHCBBCBA1.1°0.3°
CAGCAHCBBNAU179.6°179.8°
NATCBECAMH6117.9°120.1°
CBENATC6N13.5°0.1°
CBENATC6H5121.6°180.0°
CBENATC6C5179.9°180.0°
NATCBECAMCAO176.0°177.6°
NATCBECAMH763.7°62.5°
NATCBECAMH855.6°57.6°
NATCBECALH1176.1°57.6°
NATCBECALH1243.7°62.5°
CAMCBENATC6133.0°155.0°
CBECAMCAOH7120.4°119.9°
CBECAMCAOH8120.4°120.0°
CAMCBENATH5105.4°25.0°
CBECAMH7H8118.9°120.1°
CBECAMCAOH9178.9°60.8°
CBECAMCAOH1058.1°179.2°
CAMCBECALH11166.5°62.3°
CAMCBECALH1273.7°177.6°
C2N1C6NAT177.8°180.0°
N1C2N3H4180.0°179.8°
C2N1C6C55.7°0.0°
N1C2N3C43.6°0.4°
N1C6NATC5176.4°179.9°
C6N1C2N35.6°0.2°
N1C6C5C43.9°0.0°
N1C6C5CAK178.0°180.0°
C6N1C2H4174.5°180.0°
N1C6NATH5118.1°180.0°
CAICBACBBCAH1.7°0.0°
CAICBACBBCAJ177.4°180.0°
CAICBACBBNAU177.7°180.0°
CAICBACAJCAX178.1°180.0°
CAICBACAJH191.9°0.0°
NATC6C5C4179.8°180.0°
NATC6C5CAK1.7°0.1°
C6NATCBEH615.4°34.9°
FACCBGFABCAQ120.2°120.0°
FACCBGCAQCAY60.5°60.0°
FACCBGCAQH159.5°60.1°
FACCBGCAQH2179.4°180.0°
C2N3C4C52.0°0.4°
C2N3C4SAV177.0°179.9°
C6C5C4N32.1°0.2°
C6C5C4CAK178.5°180.0°
C6C5C4SAV177.0°180.0°
C6C5CAKCAY179.0°180.0°
C6C5CAKH31.0°0.1°
C5C6NATH558.3°0.0°
CAHCBBCBANAU179.4°180.0°
CAHCBBCBACAJ179.2°180.0°
CAHCBBNAUCAX180.0°179.9°
CAHCBBNAUH200.1°0.1°
CBBCAHCAGH22176.4°179.7°
CAOCAMCBEH666.2°62.3°
CAOCAMH7H8118.9°120.1°
CAMCAOH9H10121.1°120.0°
FABCBGCAQCAY179.9°60.0°
FABCBGCAQH159.9°180.0°
FABCBGCAQH260.0°60.0°
CBGCAQCAYCAK103.9°90.0°
CBGCAQCAYSAV79.1°89.9°
CBGCAQCAYH1120.0°120.1°
CBGCAQCAYH2120.0°120.0°
CBGCAQH1H2119.8°120.0°
N3C4C5SAV179.1°179.8°
N3C4C5CAK179.5°179.8°
N3C4SAVCAY178.4°179.8°
C4N3C2H4176.4°179.8°
C4C5CAKCAY0.8°0.0°
C5C4SAVCAY2.5°0.0°
C4C5CAKH3179.2°180.0°
CAKC5C4SAV1.4°0.0°
C5CAKCAYH3180.0°179.9°
C5CAKCAYSAV2.7°0.0°
C5CAKCAYCAQ180.0°179.9°
C4SAVCAYCAK2.9°0.0°
C4SAVCAYCAQ179.8°179.9°
CBBCBACAJCAX1.0°0.0°
CBACBBNAUCAX0.6°0.0°
CBBCBACAIH18177.9°180.0°
CBBCBACAJH19179.0°180.0°
CBACBBNAUH20179.4°180.0°
CBACBBCAHH21178.9°180.0°
CAJCBACBBNAU0.3°0.0°
CBACAJCAXH19180.0°180.0°
CBACAJCAXNAU1.4°0.0°
CBACAJCAXCAE179.5°179.9°
CAJCBACAIH181.2°0.0°
CAKCAYSAVCAQ177.3°179.9°
CAKCAYCAQH1136.0°30.0°
CAKCAYCAQH216.1°150.0°
CBBNAUCAXCAJ1.2°0.0°
CBBNAUCAXH20180.0°180.0°
CBBNAUCAXCAE179.5°179.9°
NAUCBBCAHH210.4°0.0°
SAVCAYCAQH140.9°150.0°
SAVCAYCAQH2160.8°30.1°
SAVCAYCAKH3177.3°179.9°
CAYCAQH1H2119.9°119.9°
CAQCAYCAKH30.0°0.0°
CAJCAXNAUCAE179.2°179.9°
CAJCAXCAENAA7.9°105.4°
CAJCAXNAUH20178.8°180.0°
NAUCAXCAENAA171.1°74.7°
NAUCAXCAJH19178.6°180.0°
CAECAXCAJH190.5°0.1°
CAECAXNAUH200.5°0.1°
H5NATCBEH6137.0°145.1°
H6CBECAMH754.2°57.6°
H6CBECAMH8173.5°177.7°
H6CBECALH1144.7°177.8°
H6CBECALH12164.6°57.7°
H7CAMCAOH958.5°59.1°
H7CAMCAOH1062.3°60.9°
H8CAMCAOH960.8°179.2°
H8CAMCAOH10178.4°59.2°
H11CALCANH1371.5°59.2°
H11CALCANH1446.8°179.2°
H12CALCANH1348.3°60.9°
H12CALCANH14166.6°59.1°
H21CAHCAGH223.6°0.1°

223790

PDB entries from 2024-08-14

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