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9Q0

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2C2doub1.22Å1.23Å
OBDCAUsing1.43Å1.44Å
C2N1sing1.34Å1.39Å
C2N3sing1.34Å1.39Å
N1C11sing1.39Å1.38Å
CAUCATsing1.53Å1.53Å
CAUCAVsing1.53Å1.52Å
N3C4sing1.35Å1.39Å
OBECATsing1.43Å1.45Å
CAWCAVsing1.53Å1.54Å
CAWOAXsing1.43Å1.41Å
CATCASsing1.53Å1.56Å
CAVOBCsing1.43Å1.43Å
CASN10sing1.47Å1.49Å
OAXPAYsing1.61Å1.60Å
C11N10doub1.32Å1.35ÅAromatic
C11C4Asing1.42Å1.39ÅAromatic
C4C4Asing1.48Å1.40Å
C4O4doub1.21Å1.23Å
OBBPAYdoub1.48Å1.48Å
N10C9Asing1.34Å1.36ÅAromatic
C4AN5doub1.32Å1.35ÅAromatic
OBOCBGsing1.43Å1.45Å
PAYOAZsing1.61Å1.48Å
PAYOBAsing1.61Å1.60Å
NBPCBHsing1.35Å1.34Å
C9AC9doub1.40Å1.39ÅAromatic
C9AC5Asing1.47Å1.41ÅAromatic
N5CBGsing1.47Å1.65Å
N5C5Asing1.33Å1.33ÅAromatic
CBGCBHsing1.51Å1.57Å
CBGCBFsing1.51Å1.42Å
CBHOBIdoub1.21Å1.24Å
C9C8sing1.36Å1.39ÅAromatic
C5AC6doub1.41Å1.39ÅAromatic
CBJCBFdoub1.38Å1.39ÅAromatic
CBJCBKsing1.38Å1.40ÅAromatic
CBFCBNsing1.38Å1.40ÅAromatic
CBKCBLdoub1.38Å1.39ÅAromatic
C8CAHsing1.51Å1.39Å
C8C7doub1.39Å1.40ÅAromatic
C6C7sing1.36Å1.39ÅAromatic
CBNCBMdoub1.38Å1.40ÅAromatic
C7CAAsing1.51Å1.40Å
CBLCBMsing1.38Å1.39ÅAromatic
C6H1sing1.08Å1.08Å
C9H2sing1.08Å1.08Å
N1H3sing0.97Å1.00Å
N3H4sing0.97Å1.00Å
CAAH5sing1.09Å1.10Å
CAAH6sing1.09Å1.10Å
CAAH7sing1.09Å1.10Å
CAHH8sing1.09Å1.10Å
CAHH9sing1.09Å1.10Å
CAHH10sing1.09Å1.10Å
CASH11sing1.09Å1.10Å
CASH12sing1.09Å1.10Å
CATH13sing1.09Å1.10Å
CAUH14sing1.09Å1.10Å
CAVH15sing1.09Å1.10Å
CAWH16sing1.09Å1.10Å
CAWH17sing1.09Å1.10Å
CBJH18sing1.08Å1.08Å
CBKH19sing1.08Å1.08Å
CBLH20sing1.08Å1.08Å
CBMH21sing1.08Å1.08Å
CBNH22sing1.08Å1.08Å
NBPH23sing0.97Å1.00Å
NBPH24sing0.97Å1.00Å
OAZH25sing0.97Å0.95Å
OBAH26sing0.97Å0.95Å
OBCH27sing0.97Å0.95Å
OBDH28sing0.97Å0.95Å
OBEH29sing0.97Å0.95Å
OBOH30sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2C2N1119.6°118.5°
O2C2N3120.4°118.5°
OBDCAUCAT112.2°109.5°
OBDCAUCAV107.6°109.5°
OBDCAUH14109.3°109.5°
CAUOBDH28109.5°114.0°
N1C2N3120.0°123.0°
C2N1C11120.3°120.9°
C2N1H3119.9°119.5°
C2N3C4119.5°121.4°
C2N3H4120.2°119.3°
N1C11N10118.3°120.6°
N1C11C4A120.9°118.5°
C11N1H3119.9°119.5°
CATCAUCAV111.3°109.5°
CAUCATOBE108.4°109.5°
CAUCATCAS110.5°109.5°
CAUCATH13108.2°109.5°
CATCAUH14108.1°109.5°
CAUCAVCAW106.0°109.5°
CAUCAVOBC108.8°109.5°
CAVCAUH14108.3°109.5°
CAUCAVH15110.1°109.5°
N3C4C4A120.7°118.2°
N3C4O4117.8°120.9°
C4N3H4120.3°119.3°
OBECATCAS112.4°109.4°
OBECATH13109.4°109.5°
CATOBEH29109.5°114.0°
CAVCAWOAX108.7°109.5°
CAWCAVOBC110.7°109.5°
CAWCAVH15109.7°109.5°
CAVCAWH16109.7°109.5°
CAVCAWH17109.7°109.5°
CAWOAXPAY123.6°123.0°
OAXCAWH16109.7°109.4°
OAXCAWH17109.7°109.4°
CATCASN10114.1°109.5°
CATCASH11108.3°109.5°
CATCASH12108.3°109.5°
CASCATH13107.9°109.5°
OBCCAVH15111.3°109.5°
CAVOBCH27109.5°114.0°
CASN10C11120.3°120.3°
CASN10C9A120.7°120.2°
N10CASH11108.3°109.5°
N10CASH12108.3°109.4°
OAXPAYOBB109.9°109.5°
OAXPAYOAZ104.8°109.5°
OAXPAYOBA102.8°109.5°
N10C11C4A120.7°120.9°
C11N10C9A118.0°119.5°
C11C4AC4118.6°117.9°
C11C4AN5116.5°121.3°
C4AC4O4121.4°120.9°
C4C4AN5124.0°120.8°
OBBPAYOAZ118.2°109.4°
OBBPAYOBA110.3°109.5°
N10C9AC9120.0°121.7°
N10C9AC5A120.4°119.5°
C4AN5CBG111.2°120.3°
C4AN5C5A119.8°119.5°
OBOCBGN5114.1°109.5°
OBOCBGCBH96.8°109.5°
OBOCBGCBF100.5°109.5°
CBGOBOH30109.5°114.0°
OAZPAYOBA109.5°109.5°
PAYOAZH25109.5°114.0°
PAYOBAH26109.5°114.0°
NBPCBHCBG112.7°120.0°
NBPCBHOBI121.4°120.0°
CBHNBPH23120.0°120.1°
CBHNBPH24120.0°120.0°
C9C9AC5A119.6°118.8°
C9AC9C8120.0°119.5°
C9AC9H2120.0°120.2°
C9AC5AN5116.5°119.4°
C9AC5AC6120.1°118.8°
CBGN5C5A114.5°120.2°
N5CBGCBH117.5°109.5°
N5CBGCBF125.3°109.4°
N5C5AC6122.9°121.8°
CBHCBGCBF97.6°109.5°
CBGCBHOBI125.3°120.0°
CBGCBFCBJ117.5°120.0°
CBGCBFCBN124.1°120.0°
C9C8CAH118.5°119.2°
C9C8C7120.6°121.7°
C8C9H2120.0°120.3°
C5AC6C7120.1°119.5°
C5AC6H1119.9°120.3°
CBFCBJCBK120.7°120.0°
CBJCBFCBN117.7°120.0°
CBFCBJH18119.7°120.0°
CBJCBKCBL121.3°120.0°
CBKCBJH18119.7°120.0°
CBJCBKH19119.3°120.0°
CBFCBNCBM121.2°120.0°
CBFCBNH22119.4°120.0°
CBKCBLCBM118.3°120.0°
CBLCBKH19119.3°120.0°
CBKCBLH20120.9°120.0°
CAHC8C7120.9°119.1°
C8CAHH8109.5°109.5°
C8CAHH9109.4°109.5°
C8CAHH10109.5°109.5°
C8C7C6119.5°121.7°
C8C7CAA120.7°119.2°
C6C7CAA119.8°119.1°
C7C6H1120.0°120.3°
CBNCBMCBL120.6°120.1°
CBNCBMH21119.7°120.0°
CBMCBNH22119.4°120.0°
C7CAAH5109.5°109.5°
C7CAAH6109.5°109.5°
C7CAAH7109.5°109.5°
CBMCBLH20120.8°120.0°
CBLCBMH21119.7°120.0°
H5CAAH6109.4°109.4°
H5CAAH7109.5°109.5°
H6CAAH7109.5°109.5°
H8CAHH9109.5°109.4°
H8CAHH10109.5°109.4°
H9CAHH10109.5°109.6°
H11CASH12109.5°109.5°
H16CAWH17109.4°109.4°
H23NBPH24120.0°119.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C2N1N3179.4°180.0°
O2C2N1C11180.0°179.7°
O2C2N3C4179.4°180.0°
O2C2N1H30.0°0.3°
O2C2N3H40.6°0.1°
OBDCAUCATCAV120.6°120.0°
OBDCAUCATH14120.6°120.0°
OBDCAUCAVH14118.0°120.0°
OBDCAUCATOBE74.4°180.0°
OBDCAUCAVCAW89.5°60.0°
OBDCAUCATCAS49.1°60.1°
OBDCAUCAVOBC151.4°180.0°
OBDCAUCATH13167.1°60.0°
OBDCAUCAVH1529.2°60.0°
C2N1C11H3180.0°180.0°
N1C2N3C40.0°0.0°
C2N1C11N10177.5°180.0°
C2N1C11C4A2.2°0.5°
N1C2N3H4180.0°179.9°
N3C2N1C110.6°0.2°
C2N3C4H4180.0°179.9°
C2N3C4C4A0.9°0.0°
C2N3C4O4179.6°179.7°
N3C2N1H3179.4°179.8°
N1C11N10CAS2.4°0.6°
N1C11N10C4A175.3°179.5°
N1C11C4AC43.1°0.5°
N1C11N10C9A165.9°179.5°
N1C11C4AN5172.7°179.5°
CATCAUCAVH14118.7°120.0°
CAUCATOBECAS122.4°120.0°
CAUCATOBEH13117.8°120.0°
CATCAUCAVCAW147.3°NaN°
CAUCATCASH13118.2°120.0°
CATCAUCAVOBC28.1°60.0°
CAUCATCASN10176.8°175.0°
CAUCATCASH1162.5°65.0°
CAUCATCASH1256.1°55.1°
CATCAUCAVH1594.1°60.0°
CATCAUOBDH28180.0°60.0°
CAUCATOBEH29180.0°60.0°
CAVCAUCATOBE165.0°60.0°
CAUCAVCAWOBC117.9°120.0°
CAUCAVCAWH15118.8°120.0°
CAUCAVCAWOAX177.1°175.0°
CAVCAUCATCAS71.5°180.0°
CAUCAVOBCH15121.5°120.0°
CAVCAUCATH1346.5°60.0°
CAUCAVCAWH1663.0°55.0°
CAUCAVCAWH1757.3°65.0°
CAUCAVOBCH27180.0°60.0°
CAVCAUOBDH2857.3°60.0°
N3C4C4AC112.4°0.3°
N3C4C4AO4179.5°179.7°
N3C4C4AN5171.2°179.7°
OBECATCASH13120.6°120.0°
OBECATCASN1062.0°65.0°
OBECATCASH1158.7°55.0°
OBECATCASH12177.3°175.0°
OBECATCAUH1446.2°60.0°
CAVCAWOAXH16119.9°120.0°
CAVCAWOAXH17119.9°120.1°
CAWCAVOBCH15122.4°120.0°
CAVCAWOAXPAY108.8°180.0°
CAWCAVCAUH1428.6°60.0°
CAVCAWH16H17120.4°120.1°
CAWCAVOBCH2763.9°60.0°
OAXCAWCAVOBC59.3°65.0°
CAWOAXPAYOBB37.5°55.0°
CAWOAXPAYOAZ165.6°175.0°
CAWOAXPAYOBA80.0°65.0°
OAXCAWCAVH1564.0°55.0°
OAXCAWH16H17120.4°119.9°
CATCASN10H11120.7°120.0°
CATCASN10H12120.7°120.0°
CATCASN10C1186.0°90.1°
CATCASN10C9A82.0°90.0°
CATCASH11H12117.9°120.0°
CASCATCAUH14169.7°60.0°
CASCATOBEH2957.6°60.0°
OBCCAVCAUH1490.6°60.0°
OBCCAVCAWH16179.1°175.0°
OBCCAVCAWH1760.6°55.0°
CASN10C11C9A168.3°179.9°
CASN10C11C4A177.7°179.9°
CASN10C9AC92.9°0.0°
CASN10C9AC5A179.3°179.9°
N10CASH11H12117.9°120.0°
N10CASCATH1358.6°55.0°
OAXPAYOBBOAZ120.3°120.0°
OAXPAYOBBOBA112.7°120.0°
OAXPAYOAZOBA109.7°120.1°
PAYOAXCAWH16131.3°59.9°
PAYOAXCAWH1711.1°60.0°
OAXPAYOAZH25122.9°180.0°
OAXPAYOBAH26117.2°60.0°
N10C11C4AC4178.2°180.0°
N10C11C4AN512.2°0.0°
C11N10C9AC9165.3°179.9°
C11N10C9AC5A12.5°0.0°
N10C11N1H32.5°0.0°
C11N10CASH1134.7°30.0°
C11N10CASH12153.4°150.0°
C11C4AC4N5168.8°180.0°
C11C4AC4O4178.1°180.0°
C4AC11N10C9A9.4°0.0°
C11C4AN5CBG105.0°180.0°
C11C4AN5C5A32.2°0.0°
C4AC11N1H3177.8°179.5°
C4C4AN5CBG63.9°0.0°
C4C4AN5C5A158.8°179.9°
C4AC4N3H4179.1°179.9°
O4C4C4AN59.4°0.0°
O4C4N3H40.4°0.3°
OBBPAYOAZOBA127.5°119.9°
OBBPAYOAZH250.0°60.0°
OBBPAYOBAH260.0°180.0°
N10C9AC9C5A177.8°179.9°
N10C9AC5AN56.2°0.1°
N10C9AC9C8179.5°180.0°
N10C9AC5AC6178.1°180.0°
N10C9AC9H20.5°0.1°
C9AN10CASH11157.3°149.9°
C9AN10CASH1238.7°29.9°
C4AN5CBGOBO3.5°77.6°
C4AN5C5AC9A29.1°0.1°
C4AN5CBGC5A139.7°179.9°
C4AN5CBGCBH108.8°162.4°
C4AN5CBGCBF127.8°42.4°
C4AN5C5AC6159.2°180.0°
OBOCBGCBHNBP12.1°178.3°
OBOCBGN5CBH112.2°120.0°
OBOCBGN5CBF124.3°120.0°
OBOCBGN5C5A143.2°102.3°
OBOCBGCBHCBF101.6°120.0°
OBOCBGCBHOBI177.1°1.8°
OBOCBGCBFCBJ12.9°148.7°
OBOCBGCBFCBN157.6°31.0°
OAZPAYOBAH26131.8°60.1°
OBAPAYOAZH25127.4°59.9°
NBPCBHCBGN5133.8°58.3°
NBPCBHCBGOBI170.8°179.9°
NBPCBHCBGCBF89.5°61.7°
CBHNBPH23H24179.9°180.0°
C9C9AC5AN5176.0°180.0°
C9AC9C8H2180.0°179.9°
C9C9AC5AC64.1°0.1°
C9AC9C8CAH179.8°179.9°
C9AC9C8C70.5°0.1°
C9AC5AN5CBG106.9°180.0°
C9AC5AN5C6171.7°179.9°
C5AC9AC9C81.7°0.1°
C9AC5AC6C74.3°0.0°
C9AC5AC6H1175.7°180.0°
C5AC9AC9H2178.3°180.0°
N5CBGCBHCBF136.6°120.0°
N5CBGCBHOBI55.3°121.8°
CBGN5C5AC664.8°0.0°
N5CBGCBFCBJ117.1°28.8°
N5CBGCBFCBN72.5°151.0°
N5CBGOBOH3043.3°60.0°
C5AN5CBGCBH30.9°17.7°
C5AN5CBGCBF92.5°137.7°
N5C5AC6C7175.6°180.0°
N5C5AC6H14.4°0.0°
CBHCBGCBFCBJ111.2°91.2°
CBHCBGCBFCBN59.2°89.0°
CBGCBHNBPH23171.2°4.9°
CBGCBHNBPH248.7°175.1°
CBHCBGOBOH30167.5°180.0°
CBFCBGCBHOBI81.3°118.2°
CBGCBFCBJCBN171.1°179.7°
CBGCBFCBJCBK176.4°179.7°
CBGCBFCBNCBM175.6°179.7°
CBGCBFCBJH183.7°0.3°
CBGCBFCBNH224.5°0.0°
CBFCBGOBOH3093.5°60.0°
OBICBHNBPH230.0°175.0°
OBICBHNBPH24180.0°5.1°
C9C8CAHC7179.7°180.0°
C9C8C7C60.3°0.0°
C9C8C7CAA179.8°180.0°
C9C8CAHH890.1°85.5°
C9C8CAHH9149.9°34.4°
C9C8CAHH1029.9°154.6°
C5AC6C7C82.1°0.0°
C5AC6C7H1180.0°180.0°
C5AC6C7CAA177.8°180.0°
CBFCBJCBKH18180.0°180.0°
CBFCBJCBKCBL2.6°NaN°
CBJCBFCBNCBM5.1°0.1°
CBFCBJCBKH19177.3°180.0°
CBJCBFCBNH22174.9°179.7°
CBKCBJCBFCBN5.3°0.0°
CBJCBKCBLH19180.0°180.0°
CBJCBKCBLCBM0.4°0.0°
CBJCBKCBLH20179.6°179.9°
CBFCBNCBMH22180.0°179.7°
CBFCBNCBMCBL2.3°0.1°
CBNCBFCBJH18174.7°180.0°
CBFCBNCBMH21177.7°180.0°
CBKCBLCBMCBN0.6°0.1°
CBKCBLCBMH20180.0°180.0°
CBLCBKCBJH18177.4°180.0°
CBKCBLCBMH21179.4°180.0°
CAHC8C7C6180.0°179.9°
CAHC8C7CAA0.1°0.1°
CAHC8C9H20.2°0.0°
C8CAHH8H9120.0°120.0°
C8CAHH8H10120.0°120.0°
C8CAHH9H10120.0°120.1°
C8C7C6CAA179.9°180.0°
C8C7C6H1177.9°180.0°
C7C8C9H2179.5°180.0°
C8C7CAAH590.0°94.5°
C8C7CAAH6150.1°25.5°
C8C7CAAH730.1°145.5°
C7C8CAHH890.2°94.5°
C7C8CAHH929.9°145.5°
C7C8CAHH10149.8°25.4°
C6C7CAAH589.9°85.5°
C6C7CAAH630.0°154.5°
C6C7CAAH7150.0°34.5°
CBNCBMCBLH21180.0°179.9°
CBNCBMCBLH20179.5°179.9°
CAAC7C6H12.2°0.0°
C7CAAH5H6120.0°120.0°
C7CAAH5H7120.1°120.0°
C7CAAH6H7120.0°120.0°
CBMCBLCBKH19179.6°180.0°
CBLCBMCBNH22177.8°179.8°
H5CAAH6H7120.0°120.0°
H8CAHH9H10120.0°119.9°
H11CASCATH13179.3°175.0°
H12CASCATH1362.0°65.0°
H13CATCAUH1472.3°180.0°
H13CATOBEH2962.2°180.0°
H14CAUCAVH15147.2°180.0°
H14CAUOBDH2860.1°180.0°
H15CAVCAWH1655.9°65.0°
H15CAVCAWH17176.1°175.0°
H15CAVOBCH2758.5°180.0°
H18CBJCBKH192.6°0.1°
H19CBKCBLH200.4°0.0°
H20CBLCBMH210.5°0.0°
H21CBMCBNH222.2°0.3°

222415

PDB entries from 2024-07-10

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