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T01

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OXTCdoub1.21Å1.24Å
OCsing1.34Å1.26Å
CCAsing1.51Å1.53Å
OAJCBCdoub1.21Å1.29Å
OAHCBAdoub1.21Å1.26Å
CANCAPdoub1.38Å1.41ÅAromatic
CANCBGsing1.39Å1.41ÅAromatic
CAPCBHsing1.40Å1.41ÅAromatic
CBAOAAsing1.34Å1.26Å
CBACARsing1.51Å1.56Å
CBCOACsing1.34Å1.28Å
CBCCBJsing1.51Å1.56Å
NCAsing1.47Å1.49Å
NCBFsing1.35Å1.34Å
CACBsing1.53Å1.55Å
CBCGsing1.53Å1.54Å
CARCATsing1.53Å1.57Å
CATCBJsing1.53Å1.60Å
CBGFAMsing1.35Å1.35Å
CBGCAOdoub1.39Å1.39ÅAromatic
CBHCBFsing1.48Å1.56Å
CBHCAQdoub1.40Å1.40ÅAromatic
CBJNAYsing1.47Å1.49Å
CBFOAFdoub1.21Å1.25Å
CGCDsing1.51Å1.52Å
CAOCAQsing1.38Å1.38ÅAromatic
OALPBLdoub1.48Å1.58Å
NAYPBLsing1.68Å1.66Å
CDOE1doub1.21Å1.25Å
CDNE2sing1.35Å1.36Å
CAVCBKsing1.53Å1.54Å
CAVOAZsing1.43Å1.43Å
PBLOAZsing1.61Å1.60Å
PBLOAGsing1.61Å1.56Å
CBKNE2sing1.47Å1.49Å
CBKCBDsing1.51Å1.55Å
CBDOADdoub1.21Å1.24Å
CBDOAKsing1.34Å1.25Å
CAPH1sing1.08Å1.08Å
CANH2sing1.08Å1.08Å
CAOH3sing1.08Å1.08Å
CAQH4sing1.08Å1.08Å
NH5sing0.97Å1.00Å
CAH6sing1.09Å1.10Å
OH7sing0.97Å0.95Å
CBH8sing1.09Å1.10Å
CBH9sing1.09Å1.10Å
CGH10sing1.09Å1.10Å
CGH11sing1.09Å1.10Å
NE2H12sing0.97Å1.00Å
CBKH13sing1.09Å1.10Å
OAKH14sing0.97Å0.95Å
CAVH15sing1.09Å1.10Å
CAVH16sing1.09Å1.10Å
OAGH17sing0.97Å0.95Å
NAYH18sing1.01Å1.00Å
CBJH19sing1.09Å1.10Å
OACH20sing0.97Å0.95Å
CATH21sing1.09Å1.10Å
CATH22sing1.09Å1.10Å
CARH23sing1.09Å1.10Å
CARH24sing1.09Å1.10Å
OAAH25sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OXTCO126.0°120.0°
OXTCCA113.9°120.0°
OCCA119.8°120.0°
COH7109.5°117.0°
CCAN107.5°109.4°
CCACB103.2°109.5°
CCAH6111.4°109.4°
OAJCBCOAC125.5°120.0°
OAJCBCCBJ114.1°120.0°
OAHCBAOAA124.3°120.0°
OAHCBACAR118.6°120.0°
CAPCANCBG119.0°120.1°
CANCAPCBH118.8°119.9°
CANCAPH1120.6°120.0°
CAPCANH2120.5°120.0°
CANCBGFAM123.0°119.8°
CANCBGCAO121.0°120.2°
CBGCANH2120.5°119.9°
CAPCBHCBF125.5°120.1°
CAPCBHCAQ121.0°119.8°
CBHCAPH1120.6°120.1°
OAACBACAR117.1°120.0°
CBAOAAH25109.5°117.0°
CBACARCAT111.1°109.5°
CBACARH23109.1°109.5°
CBACARH24109.1°109.5°
OACCBCCBJ120.0°120.0°
CBCOACH20109.5°117.0°
CBCCBJCAT108.5°109.5°
CBCCBJNAY113.5°109.5°
CBCCBJH19107.5°109.5°
CANCBF124.3°120.0°
NCACB111.1°109.5°
CANH5117.8°120.0°
NCAH6112.0°109.5°
NCBFCBH117.3°120.0°
NCBFOAF124.0°120.0°
CBFNH5117.8°120.0°
CACBCG116.4°109.5°
CBCAH6111.2°109.5°
CACBH8107.7°109.5°
CACBH9107.7°109.4°
CBCGCD107.3°109.5°
CGCBH8107.7°109.5°
CGCBH9107.7°109.5°
CBCGH10110.0°109.5°
CBCGH11110.0°109.5°
CARCATCBJ108.6°109.5°
CARCATH21109.7°109.5°
CARCATH22109.7°109.4°
CATCARH23109.0°109.5°
CATCARH24109.0°109.5°
CATCBJNAY111.8°109.5°
CATCBJH19107.0°109.5°
CBJCATH21109.7°109.5°
CBJCATH22109.7°109.5°
FAMCBGCAO115.9°119.9°
CBGCAOCAQ120.1°120.2°
CBGCAOH3120.0°119.9°
CBFCBHCAQ113.5°120.1°
CBHCBFOAF118.6°120.0°
CBHCAQCAO120.1°119.8°
CBHCAQH4120.0°120.1°
CBJNAYPBL117.6°111.0°
CBJNAYH18107.4°111.0°
NAYCBJH19108.3°109.5°
CGCDOE1118.6°119.9°
CGCDNE2116.2°120.0°
CDCGH10110.0°109.4°
CDCGH11110.0°109.5°
CAQCAOH3119.9°119.9°
CAOCAQH4120.0°120.1°
OALPBLNAY107.8°109.4°
OALPBLOAZ105.4°109.4°
OALPBLOAG110.1°109.5°
NAYPBLOAZ105.2°109.5°
NAYPBLOAG117.9°109.5°
PBLNAYH18107.4°111.0°
OE1CDNE2124.6°120.0°
CDNE2CBK126.6°120.0°
CDNE2H12116.7°120.0°
CBKCAVOAZ107.9°109.5°
CAVCBKNE2113.8°109.5°
CAVCBKCBD109.1°109.5°
CAVCBKH13110.3°109.5°
CBKCAVH15109.8°109.5°
CBKCAVH16109.9°109.5°
CAVOAZPBL121.7°123.0°
OAZCAVH15109.9°109.5°
OAZCAVH16109.9°109.4°
OAZPBLOAG109.7°109.5°
PBLOAGH17109.5°114.0°
NE2CBKCBD102.3°109.5°
CBKNE2H12116.7°120.0°
NE2CBKH13110.9°109.4°
CBKCBDOAD116.7°120.0°
CBKCBDOAK117.2°120.0°
CBDCBKH13110.1°109.5°
OADCBDOAK126.1°120.0°
CBDOAKH14109.5°117.0°
H8CBH9109.5°109.5°
H10CGH11109.5°109.5°
H15CAVH16109.5°109.5°
H21CATH22109.4°109.5°
H23CARH24109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OXTCOCA174.8°180.0°
OXTCCAN37.6°0.0°
OXTCCACB79.9°120.0°
OXTCCAH6160.7°120.0°
OXTCOH70.0°0.0°
OCCAN147.0°180.0°
OCCACB95.5°60.0°
OCCAH623.9°60.0°
CCANCB112.3°120.0°
CCANH6122.7°120.0°
CCANCBF158.7°85.0°
CCACBH6119.5°120.0°
CCACBCG162.7°175.0°
CCANH521.3°95.0°
CACOH7174.8°180.0°
CCACBH841.7°65.0°
CCACBH976.3°55.0°
OAJCBCOACCBJ172.8°180.0°
OAJCBCCBJCAT76.5°120.0°
OAJCBCCBJNAY158.6°0.0°
OAJCBCCBJH1938.9°120.0°
OAJCBCOACH200.0°0.0°
OAHCBAOAACAR179.7°179.9°
OAHCBACARCAT19.5°0.0°
OAHCBACARH23100.8°120.0°
OAHCBACARH24139.7°120.0°
OAHCBAOAAH250.0°0.0°
CAPCANCBGH2180.0°180.0°
CANCAPCBHH1180.0°179.7°
CAPCANCBGFAM179.9°180.0°
CAPCANCBGCAO1.5°0.0°
CANCAPCBHCBF179.7°179.7°
CANCAPCBHCAQ0.4°0.0°
CBGCANCAPCBH1.9°0.0°
CANCBGFAMCAO178.5°180.0°
CANCBGCAOCAQ0.5°0.0°
CBGCANCAPH1178.1°179.7°
CANCBGCAOH3179.5°180.0°
CAPCBHCBFN26.2°180.0°
CAPCBHCBFCAQ179.9°179.7°
CAPCBHCBFOAF156.7°0.0°
CAPCBHCAQCAO1.5°0.0°
CBHCAPCANH2178.1°180.0°
CAPCBHCAQH4178.5°180.0°
OAACBACARCAT160.8°180.0°
OAACBACARH2378.9°60.1°
OAACBACARH2440.6°59.9°
CBACARCATH23120.3°120.0°
CBACARCATH24120.2°120.1°
CBACARCATCBJ168.6°180.0°
CBACARCATH2171.5°60.0°
CBACARCATH2248.7°60.0°
CBACARH23H24119.2°120.0°
CARCBAOAAH25179.6°180.0°
OACCBCCBJCAT97.1°60.0°
OACCBCCBJNAY27.8°180.0°
OACCBCCBJH19147.5°60.0°
CBCCBJCATCAR67.0°175.0°
CBCCBJCATNAY125.9°120.0°
CBCCBJCATH19115.7°120.0°
CBCCBJNAYH19119.2°120.0°
CBCCBJNAYPBL77.5°95.0°
CBCCBJNAYH1843.7°29.0°
CBJCBCOACH20172.8°180.0°
CBCCBJCATH21173.1°65.0°
CBCCBJCATH2252.9°55.0°
CANCBFH5180.0°180.0°
NCACBH6125.5°120.0°
NCACBCG47.7°65.0°
CANCBFCBH174.5°180.0°
CANCBFOAF2.5°0.0°
NCACBH873.3°55.0°
NCACBH9168.7°175.0°
CBFNCACB89.0°155.0°
NCBFCBHOAF177.1°180.0°
NCBFCBHCAQ153.9°0.3°
CBFNCAH636.0°35.0°
CACBCGH8121.0°120.0°
CACBCGH9121.0°120.0°
CACBCGCD82.4°179.9°
CBCANH591.0°25.0°
CACBH8H9116.9°120.0°
CACBCGH1037.3°60.0°
CACBCGH11157.9°60.0°
CBCGCDH10119.7°120.0°
CBCGCDH11119.7°120.0°
CBCGCDOE114.2°0.0°
CBCGCDNE2157.3°180.0°
CGCBCAH677.8°55.0°
CGCBH8H9116.9°120.0°
CBCGH10H11121.0°120.0°
CARCATCBJH21119.9°120.1°
CARCATCBJH22119.9°120.0°
CARCATCBJNAY58.9°65.0°
CARCATCBJH19177.3°55.0°
CARCATH21H22120.4°120.0°
CATCARH23H24119.2°119.9°
CATCBJNAYH19117.7°120.0°
CATCBJNAYPBL159.4°145.0°
CATCBJNAYH1879.4°91.1°
CBJCATH21H22120.4°120.0°
CBJCATCARH2348.4°60.0°
CBJCATCARH2471.1°60.0°
FAMCBGCAOCAQ178.1°180.0°
FAMCBGCANH20.0°0.0°
FAMCBGCAOH31.9°0.0°
CBGCAOCAQCBH2.0°0.0°
CBGCAOCAQH3180.0°180.0°
CAOCBGCANH2178.5°180.0°
CBGCAOCAQH4178.0°179.9°
CBFCBHCAQCAO178.4°179.7°
CBFCBHCAPH10.3°0.0°
CBFCBHCAQH41.6°0.4°
CBHCBFNH55.5°0.0°
CAQCBHCBFOAF23.2°179.7°
CBHCAQCAOH4180.0°179.9°
CAQCBHCAPH1179.6°179.7°
CBHCAQCAOH3178.0°180.0°
CBJNAYPBLOAL22.2°180.0°
CBJNAYPBLH18121.2°123.9°
CBJNAYPBLOAZ134.3°60.0°
CBJNAYPBLOAG103.0°60.0°
NAYCBJCATH2160.9°55.0°
NAYCBJCATH22178.8°175.0°
OAFCBFNH5177.6°180.0°
CGCDOE1NE2170.8°180.0°
CGCDNE2CBK13.7°179.9°
CDCGCBH8156.6°60.0°
CDCGCBH938.6°60.0°
CDCGH10H11121.0°120.0°
CGCDNE2H12166.3°0.1°
OALPBLNAYOAZ112.1°119.9°
OALPBLNAYOAG125.2°120.0°
OALPBLOAZCAV67.1°50.0°
OALPBLOAZOAG118.5°120.0°
OALPBLOAGH170.0°180.0°
OALPBLNAYH1898.9°56.1°
NAYPBLOAZCAV46.6°69.9°
NAYPBLOAZOAG127.7°120.0°
NAYPBLOAGH17124.1°60.0°
PBLNAYCBJH1941.7°25.0°
OE1CDNE2CBK175.4°0.0°
OE1CDCGH10105.4°120.0°
OE1CDCGH11133.9°120.0°
OE1CDNE2H124.6°180.0°
CDNE2CBKCAV89.6°155.0°
CDNE2CBKH12180.0°180.0°
CDNE2CBKCBD152.8°85.0°
NE2CDCGH1083.0°60.0°
NE2CDCGH1137.6°60.0°
CDNE2CBKH1335.4°35.0°
CBKCAVOAZH15119.7°120.0°
CBKCAVOAZH16119.8°120.0°
CBKCAVOAZPBL165.1°180.0°
CAVCBKNE2CBD117.6°120.0°
CAVCBKNE2H13125.0°120.0°
CAVCBKCBDH13121.2°120.0°
CAVCBKCBDOAD69.2°120.0°
CAVCBKCBDOAK110.1°59.9°
CAVCBKNE2H1290.4°25.0°
CBKCAVH15H16120.7°120.0°
CAVOAZPBLOAG174.4°170.0°
OAZCAVCBKNE273.9°65.0°
OAZCAVCBKCBD39.7°55.0°
OAZCAVCBKH13160.8°175.1°
OAZCAVH15H16120.7°119.9°
PBLOAZCAVH1575.1°59.9°
PBLOAZCAVH1645.4°60.0°
OAZPBLOAGH17115.6°60.0°
OAZPBLNAYH1813.2°176.0°
OAGPBLNAYH18135.8°63.9°
NE2CBKCBDH13117.9°120.0°
NE2CBKCBDOAD169.9°0.0°
NE2CBKCBDOAK10.8°179.9°
NE2CBKCAVH15166.4°175.0°
NE2CBKCAVH1645.9°55.0°
CBKCBDOADOAK179.2°179.9°
CBDCBKNE2H1227.2°95.0°
CBKCBDOAKH14179.2°180.0°
CBDCBKCAVH1580.1°65.0°
CBDCBKCAVH16159.5°175.0°
OADCBDCBKH1351.9°120.0°
OADCBDOAKH140.0°0.0°
OAKCBDCBKH13128.8°60.1°
H1CAPCANH21.9°0.3°
H3CAOCAQH42.0°0.0°
H5NCAH6144.1°145.0°
H6CACBH8161.2°175.0°
H6CACBH943.2°65.0°
H8CBCGH1083.7°180.0°
H8CBCGH1137.0°60.0°
H9CBCGH10158.3°60.0°
H9CBCGH1181.0°180.0°
H12NE2CBKH13144.6°145.0°
H13CBKCAVH1541.1°55.0°
H13CBKCAVH1679.4°65.0°
H18NAYCBJH19162.9°148.9°
H19CBJCATH2157.5°175.0°
H19CBJCATH2262.8°65.0°
H21CATCARH23168.3°180.0°
H21CATCARH2448.8°60.1°
H22CATCARH2371.5°60.0°
H22CATCARH24169.0°179.9°

222926

PDB entries from 2024-07-24

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