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LJT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OACCAJsing1.43Å1.18Å
CAJCALsing1.53Å1.53Å
CALNBCsing1.47Å1.28Å
CANNBCsing1.47Å1.38Å
CANCAPsing1.53Å1.54Å
NBCCAOsing1.47Å1.37Å
CAPNBDsing1.47Å1.38Å
CAOCAQsing1.53Å1.56Å
NBDCAQsing1.47Å1.37Å
NBDCAMsing1.47Å1.29Å
SAUCAZsing1.76Å1.76Å
SAUCAYsing1.76Å1.71Å
CAGCAZdoub1.39Å1.42ÅAromatic
CAGCAWsing1.39Å1.42ÅAromatic
OASCAAsing1.43Å1.41Å
OASCAWsing1.36Å1.42Å
CAZCBBsing1.39Å1.39ÅAromatic
CAMCAKsing1.53Å1.60Å
CAWCAXdoub1.39Å1.42ÅAromatic
CBBNBEsing1.40Å1.55Å
CBBCAIdoub1.39Å1.43ÅAromatic
CAYCAFdoub1.39Å1.42ÅAromatic
CAYCBAsing1.39Å1.39ÅAromatic
CAKCARsing1.53Å1.54Å
CAXCAIsing1.38Å1.40ÅAromatic
CAXOATsing1.36Å1.43Å
CAFCAEsing1.38Å1.40ÅAromatic
NBECBAsing1.39Å1.57Å
NBECARsing1.46Å1.48Å
OATCABsing1.43Å1.42Å
CBACAHdoub1.39Å1.42ÅAromatic
CAECAVdoub1.38Å1.42ÅAromatic
CAHCAVsing1.38Å1.40ÅAromatic
CAVCLsing1.74Å1.74Å
CAAH1sing1.09Å1.10Å
CAAH2sing1.09Å1.10Å
CAAH3sing1.09Å1.10Å
CABH4sing1.09Å1.10Å
CABH5sing1.09Å1.10Å
CABH6sing1.09Å1.10Å
CAEH7sing1.08Å1.08Å
CAFH8sing1.08Å1.08Å
CAGH9sing1.08Å1.08Å
CAHH10sing1.08Å1.08Å
CAIH11sing1.08Å1.08Å
CAJH12sing1.09Å1.10Å
CAKH13sing1.09Å1.10Å
CAKH14sing1.09Å1.10Å
CALH15sing1.09Å1.10Å
CALH16sing1.09Å1.10Å
CAMH17sing1.09Å1.10Å
CAMH18sing1.09Å1.10Å
CANH19sing1.09Å1.10Å
CANH20sing1.09Å1.10Å
CAOH21sing1.09Å1.10Å
CAOH22sing1.09Å1.10Å
CAPH23sing1.09Å1.10Å
CAPH24sing1.09Å1.10Å
CAQH25sing1.09Å1.10Å
CAQH26sing1.09Å1.10Å
CARH27sing1.09Å1.10Å
CARH28sing1.09Å1.10Å
CAJH31sing1.09Å1.10Å
OACH29sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OACCAJCAL120.5°109.5°
OACCAJH12106.7°109.5°
OACCAJH31106.6°109.5°
CAJOACH29109.5°114.0°
CAJCALNBC110.2°109.5°
CALCAJH12106.7°109.5°
CAJCALH15109.3°109.5°
CAJCALH16109.3°109.4°
CALCAJH31106.7°109.5°
CALNBCCAN109.4°111.0°
CALNBCCAO110.6°111.0°
NBCCALH15109.3°109.5°
NBCCALH16109.3°109.5°
NBCCANCAP112.1°109.4°
CANNBCCAO112.9°110.9°
NBCCANH19108.8°109.5°
NBCCANH20108.8°109.5°
CANCAPNBD111.8°109.3°
CAPCANH19108.8°109.5°
CAPCANH20108.8°109.5°
CANCAPH23108.9°109.5°
CANCAPH24108.9°109.5°
NBCCAOCAQ112.3°109.4°
NBCCAOH21108.7°109.5°
NBCCAOH22108.8°109.5°
CAPNBDCAQ113.0°110.9°
CAPNBDCAM110.3°111.0°
NBDCAPH23108.9°109.5°
NBDCAPH24108.9°109.5°
CAOCAQNBD113.0°109.4°
CAQCAOH21108.7°109.5°
CAQCAOH22108.8°109.5°
CAOCAQH25108.6°109.5°
CAOCAQH26108.6°109.5°
CAQNBDCAM109.8°111.0°
NBDCAQH25108.6°109.5°
NBDCAQH26108.6°109.6°
NBDCAMCAK110.2°109.5°
NBDCAMH17109.3°109.5°
NBDCAMH18109.3°109.5°
CAZSAUCAY104.0°103.4°
SAUCAZCAG122.4°119.2°
SAUCAZCBB118.0°120.7°
SAUCAYCAF117.8°119.3°
SAUCAYCBA117.5°120.7°
CAZCAGCAW118.3°120.2°
CAGCAZCBB119.6°120.0°
CAZCAGH9120.9°119.9°
CAGCAWOAS118.1°120.1°
CAGCAWCAX121.6°119.9°
CAWCAGH9120.8°119.9°
CAAOASCAW111.2°117.0°
OASCAAH1109.5°109.5°
OASCAAH2109.5°109.5°
OASCAAH3109.5°109.5°
OASCAWCAX120.3°120.1°
CAZCBBNBE117.7°121.8°
CAZCBBCAI122.5°119.5°
CAMCAKCAR110.2°109.5°
CAMCAKH13109.3°109.4°
CAMCAKH14109.3°109.4°
CAKCAMH17109.3°109.4°
CAKCAMH18109.3°109.5°
CAWCAXCAI119.8°120.0°
CAWCAXOAT122.0°120.0°
NBECBBCAI119.7°118.6°
CBBNBECBA112.3°124.3°
CBBNBECAR118.7°117.9°
CBBCAICAX118.1°120.4°
CBBCAIH11120.9°119.8°
CAFCAYCBA124.7°120.0°
CAYCAFCAE116.3°120.2°
CAYCAFH8121.8°119.9°
CAYCBANBE118.8°121.8°
CAYCBACAH120.0°119.4°
CAKCARNBE108.0°109.5°
CARCAKH13109.3°109.5°
CARCAKH14109.3°109.5°
CAKCARH27109.8°109.5°
CAKCARH28109.8°109.4°
CAICAXOAT118.2°120.0°
CAXCAIH11120.9°119.8°
CAXOATCAB113.7°117.0°
CAFCAECAV118.0°119.9°
CAFCAEH7121.0°120.0°
CAECAFH8121.9°119.9°
CBANBECAR119.7°117.8°
NBECBACAH121.2°118.8°
NBECARH27109.8°109.5°
NBECARH28109.8°109.5°
OATCABH4109.5°109.5°
OATCABH5109.5°109.5°
OATCABH6109.5°109.5°
CBACAHCAV114.5°120.3°
CBACAHH10122.8°119.8°
CAECAVCAH126.5°120.1°
CAECAVCL116.5°119.9°
CAVCAEH7121.0°120.0°
CAHCAVCL116.9°119.9°
CAVCAHH10122.8°119.8°
H1CAAH2109.5°109.5°
H1CAAH3109.5°109.4°
H2CAAH3109.5°109.4°
H4CABH5109.5°109.5°
H4CABH6109.5°109.5°
H5CABH6109.4°109.4°
H12CAJH31109.5°109.5°
H13CAKH14109.5°109.5°
H15CALH16109.5°109.4°
H17CAMH18109.5°109.4°
H19CANH20109.4°109.5°
H21CAOH22109.5°109.4°
H23CAPH24109.5°109.5°
H25CAQH26109.5°109.5°
H27CARH28109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OACCAJCALH12121.6°120.0°
OACCAJCALH31121.5°120.0°
OACCAJCALNBC104.9°65.0°
OACCAJH12H31115.0°120.0°
OACCAJCALH15135.0°175.0°
OACCAJCALH1615.3°55.0°
CAJCALNBCH15120.1°120.0°
CAJCALNBCH16120.1°120.0°
CAJCALNBCCAN106.7°170.0°
CAJCALNBCCAO128.3°66.2°
CALCAJH12H31115.0°120.0°
CAJCALH15H16119.7°119.9°
CALCAJOACH29180.0°180.0°
CALNBCCANCAO123.6°123.9°
CALNBCCANCAP177.0°176.8°
CALNBCCAOCAQ173.7°176.8°
NBCCALCAJH1216.7°175.0°
NBCCALH15H16119.7°120.0°
CALNBCCANH1956.6°56.9°
CALNBCCANH2062.6°63.2°
CALNBCCAOH2165.9°63.2°
CALNBCCAOH2253.3°56.8°
NBCCALCAJH31133.6°55.0°
NBCCANCAPH19120.4°120.0°
NBCCANCAPH20120.4°120.0°
NBCCANCAPNBD53.6°58.4°
CANNBCCAOCAQ50.8°59.3°
CANNBCCALH15133.2°70.0°
CANNBCCALH1613.4°50.0°
NBCCANH19H20118.8°120.1°
CANNBCCAOH21171.2°60.7°
CANNBCCAOH2269.6°179.3°
NBCCANCAPH23173.9°178.4°
NBCCANCAPH2466.7°61.5°
CAPCANNBCCAO53.4°59.3°
CANCAPNBDH23120.4°120.0°
CANCAPNBDH24120.3°119.9°
CANCAPNBDCAQ52.4°59.3°
CANCAPNBDCAM175.7°176.8°
CAPCANH19H20118.8°120.0°
CANCAPH23H24118.9°120.1°
NBCCAOCAQH21120.4°120.0°
NBCCAOCAQH22120.4°120.0°
NBCCAOCAQNBD49.2°58.4°
CAONBCCALH158.2°53.8°
CAONBCCALH16111.6°173.8°
CAONBCCANH1967.0°179.3°
CAONBCCANH20173.8°60.6°
NBCCAOH21H22118.7°120.0°
NBCCAOCAQH2571.3°61.5°
NBCCAOCAQH26169.7°178.5°
CAPNBDCAQCAO50.3°59.4°
CAPNBDCAQCAM123.6°123.8°
CAPNBDCAMCAK151.3°170.0°
CAPNBDCAMH1731.2°70.0°
CAPNBDCAMH1888.6°50.0°
NBDCAPCANH1966.8°178.4°
NBDCAPCANH20174.0°61.6°
NBDCAPH23H24119.0°120.1°
CAPNBDCAQH2570.2°60.6°
CAPNBDCAQH26170.9°179.3°
CAOCAQNBDH25120.5°120.0°
CAOCAQNBDH26120.5°120.0°
CAOCAQNBDCAM174.0°176.8°
CAQCAOH21H22118.7°120.0°
CAOCAQH25H26118.4°120.0°
CAQNBDCAMCAK83.5°66.2°
CAQNBDCAMH17156.4°53.8°
CAQNBDCAMH1836.6°173.8°
NBDCAQCAOH21169.6°61.6°
NBDCAQCAOH2271.2°178.4°
CAQNBDCAPH23172.8°179.3°
CAQNBDCAPH2467.9°60.6°
NBDCAQH25H26118.4°120.1°
NBDCAMCAKH17120.1°120.0°
NBDCAMCAKH18120.1°120.0°
NBDCAMCAKCAR172.5°180.0°
NBDCAMCAKH1367.4°60.0°
NBDCAMCAKH1452.4°60.0°
NBDCAMH17H18119.7°120.0°
CAMNBDCAPH2363.9°56.8°
CAMNBDCAPH2455.4°63.3°
CAMNBDCAQH2553.4°63.2°
CAMNBDCAQH2665.5°56.9°
SAUCAZCAGCBB179.5°179.8°
SAUCAZCAGCAW179.8°179.8°
SAUCAZCBBNBE1.1°0.4°
SAUCAZCBBCAI179.2°179.8°
CAZSAUCAYCAF139.0°162.4°
CAZSAUCAYCBA38.9°17.6°
SAUCAZCAGH90.3°0.3°
CAYSAUCAZCAG138.5°162.1°
CAYSAUCAZCBB40.9°17.7°
SAUCAYCAFCBA177.8°179.9°
SAUCAYCAFCAE179.0°179.6°
SAUCAYCBANBE1.5°0.7°
SAUCAYCBACAH178.8°179.3°
SAUCAYCAFH81.0°0.3°
CAZCAGCAWH9180.0°179.9°
CAZCAGCAWOAS179.8°180.0°
CAZCAGCAWCAX0.6°0.1°
CAGCAZCBBNBE178.4°179.8°
CAGCAZCBBCAI0.3°0.0°
CAGCAWOASCAA56.2°0.0°
CAGCAWOASCAX179.2°179.9°
CAWCAGCAZCBB0.3°0.0°
CAGCAWCAXCAI0.2°0.1°
CAGCAWCAXOAT179.6°179.9°
CAAOASCAWCAX123.0°180.0°
OASCAAH1H2120.0°120.1°
OASCAAH1H3120.0°120.0°
OASCAAH2H3120.0°120.0°
OASCAWCAXCAI179.4°180.0°
OASCAWCAXOAT0.4°0.0°
CAWOASCAAH1180.0°60.0°
CAWOASCAAH260.0°60.0°
CAWOASCAAH360.0°180.0°
OASCAWCAGH90.3°0.1°
CAZCBBNBECAI178.1°179.8°
CAZCBBCAICAX0.6°0.0°
CAZCBBNBECBA44.5°25.0°
CAZCBBNBECAR168.7°155.0°
CBBCAZCAGH9179.7°180.0°
CAZCBBCAIH11179.4°180.0°
CAMCAKCARH13120.1°120.0°
CAMCAKCARH14120.1°119.9°
CAMCAKCARNBE65.2°180.0°
CAMCAKH13H14119.6°119.9°
CAKCAMH17H18119.7°119.9°
CAMCAKCARH2754.6°59.9°
CAMCAKCARH28175.0°60.0°
CAWCAXCAICBB0.4°0.0°
CAWCAXCAIOAT179.8°180.0°
CAWCAXOATCAB148.9°180.0°
CAXCAWCAGH9179.5°180.0°
CAWCAXCAIH11179.6°180.0°
CBBNBECBACAY46.9°25.1°
CBBNBECARCAK84.8°89.9°
NBECBBCAICAX178.7°179.8°
CBBNBECBACAR146.4°180.0°
CBBNBECBACAH133.5°154.9°
NBECBBCAIH111.3°0.2°
CBBNBECARH27155.4°150.0°
CBBNBECARH2835.0°30.0°
CBBCAICAXH11180.0°180.0°
CBBCAICAXOAT179.8°180.0°
CAICBBNBECBA133.6°155.2°
CAICBBNBECAR13.1°24.8°
CAYCAFCAEH8180.0°180.0°
CAFCAYCBANBE179.3°179.3°
CAFCAYCBACAH1.1°0.6°
CAYCAFCAECAV0.7°0.0°
CAYCAFCAEH7179.3°179.8°
CBACAYCAFCAE1.3°0.3°
CAYCBANBECAH179.6°180.0°
CAYCBANBECAR166.7°154.8°
CAYCBACAHCAV0.2°0.7°
CBACAYCAFH8178.7°179.7°
CAYCBACAHH10179.8°179.8°
CAKCARNBECBA130.9°90.1°
CAKCARNBEH27119.8°120.1°
CAKCARNBEH28119.8°119.9°
CARCAKH13H14119.7°120.1°
CARCAKCAMH1752.4°60.0°
CARCAKCAMH1867.4°59.9°
CAKCARH27H28120.7°120.0°
CAICAXOATCAB31.3°0.0°
CAXOATCABH4180.0°180.0°
CAXOATCABH560.0°60.0°
CAXOATCABH660.0°60.0°
OATCAXCAIH110.2°0.0°
CAFCAECAVH7180.0°179.7°
CAFCAECAVCAH0.1°0.1°
CAFCAECAVCL179.7°179.8°
NBECBACAHCAV179.8°179.2°
NBECBACAHH100.2°0.2°
CBANBECARH2711.1°30.0°
CBANBECARH28109.3°150.0°
CARNBECBACAH12.9°25.1°
NBECARCAKH13174.7°60.0°
NBECARCAKH1454.9°60.1°
NBECARH27H28120.7°120.0°
OATCABH4H5120.0°120.1°
OATCABH4H6120.0°120.0°
OATCABH5H6120.0°120.0°
CBACAHCAVCAE0.3°0.5°
CBACAHCAVH10180.0°179.5°
CBACAHCAVCL179.9°179.5°
CAECAVCAHCL179.6°179.9°
CAVCAECAFH8179.3°180.0°
CAECAVCAHH10179.7°180.0°
CAHCAVCAEH7179.9°179.9°
CLCAVCAEH70.3°0.1°
CLCAVCAHH100.1°0.0°
H1CAAH2H3120.0°119.9°
H4CABH5H6120.0°120.0°
H7CAECAFH80.7°0.3°
H12CAJCALH15103.4°55.0°
H12CAJCALH16136.8°65.0°
H12CAJOACH2958.4°60.0°
H13CAKCAMH17172.5°60.1°
H13CAKCAMH1852.7°180.0°
H13CAKCARH2765.5°179.9°
H13CAKCARH2854.9°60.0°
H14CAKCAMH1767.8°179.9°
H14CAKCAMH18172.4°60.0°
H14CAKCARH27174.7°60.0°
H14CAKCARH2864.9°179.9°
H15CALCAJH3113.5°65.1°
H16CALCAJH31106.3°175.0°
H19CANCAPH2353.5°61.7°
H19CANCAPH24172.9°58.5°
H20CANCAPH2365.6°58.4°
H20CANCAPH2453.7°178.5°
H21CAOCAQH2549.1°178.4°
H21CAOCAQH2669.9°58.4°
H22CAOCAQH25168.2°58.4°
H22CAOCAQH2649.3°61.6°
H31CAJOACH2958.5°60.0°

222624

PDB entries from 2024-07-17

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