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NI5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAESBDdoub1.42Å1.49Å
CAFCAGdoub1.38Å1.39ÅAromatic
CAFCAUsing1.39Å1.38ÅAromatic
SBDOADdoub1.42Å1.49Å
SBDCAUsing1.76Å1.80Å
SBDNBCsing1.66Å1.65Å
CAPCANsing1.53Å1.49Å
CAPNBCsing1.47Å1.43Å
CAGCAWsing1.39Å1.40ÅAromatic
CANNBBsing1.47Å1.44Å
CAUCAHdoub1.38Å1.39ÅAromatic
NBCCAQsing1.47Å1.43Å
CAKCAIsing1.53Å1.48Å
CAKOATsing1.43Å1.40Å
CAWOATsing1.36Å1.37Å
CAWCAXdoub1.40Å1.38ÅAromatic
NBBCABsing1.47Å1.46Å
NBBCAOsing1.47Å1.43Å
CAICAAsing1.53Å1.53Å
CAHCAXsing1.40Å1.39ÅAromatic
CAQCAOsing1.53Å1.49Å
CAXCAYsing1.48Å1.45Å
CAYNASsing1.36Å1.40Å
CAYNARdoub1.32Å1.37Å
NASCBAsing1.35Å1.37Å
NARCAVsing1.33Å1.40Å
CBAOACdoub1.22Å1.37Å
CBACAZsing1.41Å1.42Å
CAVCAZdoub1.36Å1.45Å
CAVCALsing1.51Å1.49Å
CAZCAMsing1.51Å1.50Å
CALCAJsing1.54Å1.49Å
CAMCAJsing1.54Å1.49Å
CAPH1sing1.09Å1.10Å
CAPH2sing1.09Å1.10Å
CANH3sing1.09Å1.10Å
CANH4sing1.09Å1.10Å
CABH6sing1.09Å1.10Å
CABH7sing1.09Å1.10Å
CABH8sing1.09Å1.10Å
CAOH9sing1.09Å1.10Å
CAOH10sing1.09Å1.10Å
CAQH11sing1.09Å1.10Å
CAQH12sing1.09Å1.10Å
CAHH13sing1.08Å1.08Å
CAFH14sing1.08Å1.08Å
CAGH15sing1.08Å1.08Å
CAKH16sing1.09Å1.10Å
CAKH17sing1.09Å1.10Å
CAIH18sing1.09Å1.10Å
CAIH19sing1.09Å1.10Å
CAAH20sing1.09Å1.10Å
CAAH21sing1.09Å1.10Å
CAAH22sing1.09Å1.10Å
CALH23sing1.09Å1.10Å
CALH24sing1.09Å1.10Å
CAJH25sing1.09Å1.10Å
CAJH26sing1.09Å1.10Å
CAMH27sing1.09Å1.10Å
CAMH28sing1.09Å1.10Å
NASH29sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAESBDOAD110.0°123.1°
OAESBDCAU108.7°106.4°
OAESBDNBC110.8°106.4°
CAGCAFCAU120.0°120.4°
CAFCAGCAW120.4°120.1°
CAGCAFH14120.0°119.8°
CAFCAGH15119.8°120.0°
CAFCAUSBD119.8°119.8°
CAFCAUCAH119.5°120.3°
CAUCAFH14120.0°119.8°
OADSBDCAU111.7°106.4°
OADSBDNBC109.4°106.4°
CAUSBDNBC106.2°107.2°
SBDCAUCAH120.7°119.9°
SBDNBCCAP120.4°120.9°
SBDNBCCAQ120.3°120.9°
CANCAPNBC112.4°108.5°
CAPCANNBB113.6°109.4°
CANCAPH1108.7°109.6°
CANCAPH2108.7°109.6°
CAPCANH3108.4°109.5°
CAPCANH4108.4°109.4°
CAPNBCCAQ112.5°118.3°
NBCCAPH1108.7°109.6°
NBCCAPH2108.7°109.6°
CAGCAWOAT119.5°120.1°
CAGCAWCAX119.6°119.7°
CAWCAGH15119.8°120.0°
CANNBBCAB115.6°111.0°
CANNBBCAO113.2°111.3°
NBBCANH3108.4°109.5°
NBBCANH4108.4°109.5°
CAUCAHCAX120.7°119.9°
CAUCAHH13119.6°120.0°
NBCCAQCAO110.1°108.5°
NBCCAQH11109.3°109.6°
NBCCAQH12109.3°109.8°
CAICAKOAT110.2°109.4°
CAKCAICAA110.3°109.5°
CAICAKH16109.3°109.4°
CAICAKH17109.3°109.5°
CAKCAIH18109.3°109.4°
CAKCAIH19109.3°109.5°
CAKOATCAW121.9°117.0°
OATCAKH16109.3°109.5°
OATCAKH17109.3°109.5°
OATCAWCAX120.9°120.2°
CAWCAXCAH119.8°119.7°
CAWCAXCAY122.9°120.2°
CABNBBCAO117.3°111.0°
NBBCABH6109.5°109.5°
NBBCABH7109.4°109.5°
NBBCABH8109.5°109.4°
NBBCAOCAQ112.9°109.3°
NBBCAOH9108.6°109.5°
NBBCAOH10108.6°109.5°
CAACAIH18109.3°109.4°
CAACAIH19109.3°109.5°
CAICAAH20109.5°109.5°
CAICAAH21109.5°109.4°
CAICAAH22109.4°109.5°
CAHCAXCAY117.2°120.2°
CAXCAHH13119.7°120.1°
CAQCAOH9108.6°109.5°
CAQCAOH10108.6°109.5°
CAOCAQH11109.3°109.6°
CAOCAQH12109.3°109.6°
CAXCAYNAS117.6°119.4°
CAXCAYNAR121.0°119.4°
NASCAYNAR121.3°121.2°
CAYNASCBA121.6°119.5°
CAYNASH29119.2°120.2°
CAYNARCAV120.0°121.6°
NASCBAOAC121.7°120.5°
NASCBACAZ118.9°118.8°
CBANASH29119.2°120.3°
NARCAVCAZ119.0°119.7°
NARCAVCAL134.2°130.3°
OACCBACAZ119.4°120.6°
CBACAZCAV119.2°119.1°
CBACAZCAM131.1°130.7°
CAZCAVCAL106.8°110.0°
CAVCAZCAM109.7°110.2°
CAVCALCAJ105.2°105.1°
CAVCALH23110.5°110.3°
CAVCALH24110.5°110.3°
CAZCAMCAJ103.4°105.0°
CAZCAMH27111.0°110.4°
CAZCAMH28111.0°110.4°
CALCAJCAM106.6°102.1°
CAJCALH23110.5°110.3°
CAJCALH24110.5°110.3°
CALCAJH25110.2°110.8°
CALCAJH26110.2°110.9°
CAMCAJH25110.2°110.9°
CAMCAJH26110.2°111.1°
CAJCAMH27111.0°110.3°
CAJCAMH28111.0°110.3°
H1CAPH2109.5°109.8°
H3CANH4109.5°109.5°
H6CABH7109.5°109.5°
H6CABH8109.5°109.5°
H7CABH8109.5°109.5°
H9CAOH10109.5°109.5°
H11CAQH12109.5°109.6°
H16CAKH17109.4°109.5°
H18CAIH19109.4°109.5°
H20CAAH21109.4°109.5°
H20CAAH22109.5°109.5°
H21CAAH22109.5°109.4°
H23CALH24109.5°110.3°
H25CAJH26109.5°110.7°
H27CAMH28109.5°110.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAESBDCAUCAF21.9°23.2°
OAESBDOADCAU120.8°123.0°
OAESBDOADNBC121.9°122.9°
OAESBDCAUNBC119.2°113.5°
OAESBDNBCCAP51.1°23.5°
OAESBDCAUCAH158.9°156.5°
OAESBDNBCCAQ160.0°156.4°
CAGCAFCAUH14180.0°179.9°
CAGCAFCAUSBD179.5°180.0°
CAFCAGCAWH15180.0°179.9°
CAGCAFCAUCAH0.3°0.3°
CAFCAGCAWOAT179.8°180.0°
CAFCAGCAWCAX1.1°0.2°
CAFCAUSBDOAD143.4°156.2°
CAFCAUSBDCAH179.2°179.7°
CAFCAUSBDNBC97.3°90.3°
CAUCAFCAGCAW0.2°0.1°
CAFCAUCAHCAX1.0°0.3°
CAFCAUCAHH13179.0°179.7°
CAUCAFCAGH15179.8°180.0°
OADSBDCAUNBC119.3°113.5°
OADSBDNBCCAP172.5°156.4°
OADSBDCAUCAH37.4°23.5°
OADSBDNBCCAQ38.6°23.5°
CAUSBDNBCCAP66.8°90.0°
CAUSBDNBCCAQ82.1°90.0°
SBDCAUCAHCAX178.2°180.0°
SBDCAUCAHH131.8°0.0°
SBDCAUCAFH140.5°0.1°
SBDNBCCAPCAN155.3°128.8°
SBDNBCCAPCAQ151.2°180.0°
NBCSBDCAUCAH81.9°90.0°
SBDNBCCAQCAO152.0°128.8°
SBDNBCCAPH184.2°111.5°
SBDNBCCAPH234.9°9.2°
SBDNBCCAQH1187.9°9.1°
SBDNBCCAQH1231.9°111.4°
CANCAPNBCH1120.4°119.7°
CANCAPNBCH2120.4°119.7°
CAPCANNBBH3120.6°120.0°
CAPCANNBBH4120.6°119.9°
CANCAPNBCCAQ53.5°51.2°
CAPCANNBBCAB174.5°172.7°
CAPCANNBBCAO46.1°63.1°
CANCAPH1H2118.6°120.5°
CAPCANH3H4118.1°120.0°
NBCCAPCANNBB47.5°53.8°
CAPNBCCAQCAO56.8°51.2°
NBCCAPH1H2118.7°120.5°
NBCCAPCANH373.1°66.2°
NBCCAPCANH4168.1°173.8°
CAPNBCCAQH1163.3°170.9°
CAPNBCCAQH12176.9°68.6°
CAGCAWOATCAK2.9°0.0°
CAGCAWOATCAX179.1°179.8°
CAGCAWCAXCAH2.3°0.2°
CAGCAWCAXCAY178.4°179.8°
CAWCAGCAFH14179.7°180.0°
CANNBBCABCAO137.7°124.4°
CANNBBCAOCAQ50.2°63.1°
NBBCANCAPH173.0°65.9°
NBBCANCAPH2167.9°173.5°
NBBCANH3H4118.1°120.1°
CANNBBCABH6180.0°60.0°
CANNBBCABH760.0°180.0°
CANNBBCABH860.0°60.0°
CANNBBCAOH970.2°56.9°
CANNBBCAOH10170.8°176.9°
CAUCAHCAXCAW2.3°0.0°
CAUCAHCAXH13180.0°180.0°
CAUCAHCAXCAY178.6°180.0°
CAHCAUCAFH14179.7°179.7°
NBCCAQCAONBB55.2°53.8°
NBCCAQCAOH11120.1°119.7°
NBCCAQCAOH12120.1°119.9°
CAQNBCCAPH166.9°68.5°
CAQNBCCAPH2173.9°170.9°
NBCCAQCAOH965.3°66.1°
NBCCAQCAOH10175.7°173.8°
NBCCAQH11H12119.7°120.6°
CAICAKOATH16120.1°119.9°
CAICAKOATH17120.1°120.1°
CAICAKOATCAW168.2°180.0°
CAKCAICAAH18120.1°119.9°
CAKCAICAAH19120.1°120.0°
CAICAKH16H17119.7°120.0°
CAKCAIH18H19119.6°120.0°
CAKCAICAAH20180.0°180.0°
CAKCAICAAH2160.0°60.0°
CAKCAICAAH2260.0°59.9°
CAKOATCAWCAX176.3°179.8°
OATCAKCAICAA46.4°180.0°
OATCAKH16H17119.6°120.1°
OATCAKCAIH1873.8°60.1°
OATCAKCAIH19166.5°59.9°
OATCAWCAXCAH178.6°180.0°
OATCAWCAXCAY2.5°0.0°
OATCAWCAGH150.2°0.1°
CAWOATCAKH1671.6°60.1°
CAWOATCAKH1748.1°60.0°
CAWCAXCAHCAY176.3°180.0°
CAWCAXCAYNAS38.7°180.0°
CAWCAXCAYNAR144.1°0.2°
CAWCAXCAHH13177.7°180.0°
CAXCAWCAGH15178.9°179.7°
CABNBBCAOCAQ171.1°172.7°
CABNBBCANH364.9°67.3°
CABNBBCANH453.9°52.8°
NBBCABH6H7120.0°120.0°
NBBCABH6H8120.0°119.9°
NBBCABH7H8120.0°119.9°
CABNBBCAOH968.5°67.3°
CABNBBCAOH1050.5°52.7°
NBBCAOCAQH9120.5°119.9°
NBBCAOCAQH10120.5°120.0°
CAONBBCANH374.5°56.9°
CAONBBCANH4166.8°177.0°
CAONBBCABH642.3°175.7°
CAONBBCABH777.7°55.6°
CAONBBCABH8162.3°64.3°
NBBCAOH9H10118.4°120.1°
NBBCAOCAQH1164.9°173.5°
NBBCAOCAQH12175.2°66.1°
CAACAICAKH1673.7°60.1°
CAACAICAKH17166.5°59.9°
CAACAIH18H19119.6°120.0°
CAICAAH20H21120.0°120.0°
CAICAAH20H22120.0°120.0°
CAICAAH21H22120.0°120.0°
CAHCAXCAYNAS137.5°0.1°
CAHCAXCAYNAR39.7°179.8°
CAQCAOH9H10118.5°120.1°
CAOCAQH11H12119.7°120.3°
CAXCAYNASNAR177.2°179.8°
CAXCAYNASCBA178.2°179.8°
CAXCAYNARCAV177.6°180.0°
CAYCAXCAHH131.4°0.0°
CAXCAYNASH291.8°0.1°
CAYNASCBAH29180.0°179.9°
NASCAYNARCAV0.5°0.2°
CAYNASCBAOAC179.6°179.8°
CAYNASCBACAZ1.2°0.5°
NARCAYNASCBA1.1°0.4°
CAYNARCAVCAZ0.3°0.0°
CAYNARCAVCAL179.3°180.0°
NARCAYNASH29178.9°179.7°
NASCBAOACCAZ179.1°179.7°
NASCBACAZCAV0.9°0.3°
NASCBACAZCAM179.9°179.8°
NARCAVCAZCBA0.5°0.0°
NARCAVCAZCAL179.7°180.0°
NARCAVCAZCAM179.7°180.0°
NARCAVCALCAJ163.2°163.0°
NARCAVCALH2343.8°78.1°
NARCAVCALH2477.5°44.1°
OACCBACAZCAV179.9°180.0°
OACCBACAZCAM0.9°0.0°
OACCBANASH290.4°0.1°
CBACAZCAVCAM179.2°180.0°
CBACAZCAVCAL179.2°179.9°
CBACAZCAMCAJ163.7°163.0°
CBACAZCAMH2777.2°78.1°
CBACAZCAMH2844.7°44.1°
CAZCBANASH29178.7°179.7°
CAZCAVCALCAJ17.3°17.1°
CAVCAZCAMCAJ17.2°17.0°
CAZCAVCALH23136.6°101.9°
CAZCAVCALH24102.1°136.0°
CAVCAZCAMH27101.8°101.9°
CAVCAZCAMH28136.3°135.9°
CALCAVCAZCAM0.0°0.0°
CAVCALCAJH23119.3°118.9°
CAVCALCAJH24119.3°118.9°
CAVCALCAJCAM28.4°26.0°
CAVCALH23H24122.0°122.1°
CAVCALCAJH2591.2°144.2°
CAVCALCAJH26147.9°92.4°
CAZCAMCAJCAL27.8°25.9°
CAZCAMCAJH27119.0°118.9°
CAZCAMCAJH28119.0°119.0°
CAZCAMCAJH2591.8°144.1°
CAZCAMCAJH26147.3°92.3°
CAZCAMH27H28122.8°122.3°
CALCAJCAMH25119.6°118.1°
CALCAJCAMH26119.5°118.3°
CAJCALH23H24122.0°122.1°
CALCAJH25H26121.3°123.5°
CALCAJCAMH2791.2°93.0°
CALCAJCAMH28146.9°144.9°
CAMCAJCALH23147.7°93.0°
CAMCAJCALH2490.9°144.9°
CAMCAJH25H26121.3°123.8°
CAJCAMH27H28122.8°122.1°
H1CAPCANH3166.4°174.1°
H1CAPCANH447.6°54.1°
H2CAPCANH347.3°53.5°
H2CAPCANH471.5°66.5°
H6CABH7H8120.0°120.1°
H9CAOCAQH11174.6°53.6°
H9CAOCAQH1254.7°173.9°
H10CAOCAQH1155.6°66.5°
H10CAOCAQH1264.2°53.9°
H14CAFCAGH150.3°0.1°
H16CAKCAIH18166.1°180.0°
H16CAKCAIH1946.4°60.0°
H17CAKCAIH1846.4°60.0°
H17CAKCAIH1973.4°180.0°
H18CAICAAH2059.8°60.0°
H18CAICAAH21179.8°179.9°
H18CAICAAH2260.1°60.0°
H19CAICAAH2059.9°60.0°
H19CAICAAH2160.1°60.0°
H19CAICAAH22179.9°180.0°
H20CAAH21H22120.0°120.0°
H23CALCAJH2528.1°25.2°
H23CALCAJH2692.7°148.6°
H24CALCAJH25149.5°96.9°
H24CALCAJH2628.6°26.5°
H25CAJCAMH27149.2°25.2°
H25CAJCAMH2827.3°97.0°
H26CAJCAMH2728.3°148.8°
H26CAJCAMH2893.6°26.7°

223532

PDB entries from 2024-08-07

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