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PD3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C5C4doub1.41Å1.38ÅAromatic
C4N3sing1.33Å1.34ÅAromatic
C4NBIsing1.36Å1.33ÅAromatic
C6C5sing1.41Å1.38ÅAromatic
CBEC5sing1.41Å1.39ÅAromatic
NAAC6sing1.38Å1.33Å
C6N1doub1.33Å1.34ÅAromatic
N1C2sing1.32Å1.32ÅAromatic
C2N3doub1.32Å1.32ÅAromatic
CBHCAQsing1.54Å1.53Å
CAQCAOsing1.54Å1.53Å
CAQHAQsing1.09Å1.10Å
CAQHAQAsing1.09Å1.10Å
CAPCAOsing1.54Å1.53Å
CAOHAOsing1.09Å1.10Å
CAOHAOAsing1.09Å1.10Å
CARCAPsing1.55Å1.53Å
CAPHAPsing1.09Å1.10Å
CAPHAPAsing1.09Å1.10Å
CARCBHsing1.55Å1.53Å
CARHARsing1.09Å1.10Å
CARHARAsing1.09Å1.10Å
NBICBHsing1.47Å1.47Å
CBHHBHsing1.09Å1.10Å
NAVNBIsing1.40Å1.23ÅAromatic
CBENAVdoub1.30Å1.33ÅAromatic
C2H2sing1.08Å1.08Å
NAAHNAAsing0.97Å1.00Å
NAAHNABsing0.97Å1.00Å
CASCBEsing1.51Å1.53Å
CAZCASsing1.51Å1.53Å
CASHASsing1.09Å1.10Å
CASHASAsing1.09Å1.10Å
CAHCAZdoub1.38Å1.39ÅAromatic
CAMCAZsing1.38Å1.39ÅAromatic
CBBCAMdoub1.39Å1.39ÅAromatic
CAMHAMsing1.08Å1.08Å
CAFCAHsing1.38Å1.39ÅAromatic
CAHHAHsing1.08Å1.08Å
CAFCAIdoub1.38Å1.39ÅAromatic
CAFHAFsing1.08Å1.08Å
CAICBBsing1.39Å1.39ÅAromatic
CAIHAIsing1.08Å1.08Å
NAWCBBsing1.40Å1.33Å
NAWCAYsing1.35Å1.33Å
NAWHNAWsing0.97Å1.00Å
NAXCAYsing1.35Å1.33Å
CAYOABdoub1.22Å1.23Å
NAXCBCsing1.40Å1.33Å
NAXHNAXsing0.97Å1.00Å
CAJCBCdoub1.39Å1.39ÅAromatic
CBCCANsing1.39Å1.39ÅAromatic
CANCBDdoub1.38Å1.39ÅAromatic
CANHANsing1.08Å1.08Å
CAJCAGsing1.38Å1.39ÅAromatic
CAJHAJsing1.08Å1.08Å
CAGCAKdoub1.38Å1.39ÅAromatic
CAGHAGsing1.08Å1.08Å
CAKCBDsing1.38Å1.39ÅAromatic
CAKHAKsing1.08Å1.08Å
CBDCBJsing1.51Å1.53Å
FAECBJsing1.40Å1.33Å
CBJFADsing1.40Å1.33Å
CBJFACsing1.40Å1.33Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C5C4N3119.4°118.8°
C5C4NBI105.6°106.6°
C4C5C6118.9°118.3°
C4C5CBE105.4°107.0°
N3C4NBI135.0°134.6°
C4N3C2120.1°120.7°
C4NBICBH123.9°125.9°
C4NBINAV112.2°108.2°
C6C5CBE135.7°134.7°
C5C6NAA120.6°120.8°
C5C6N1118.6°118.4°
C5CBENAV106.0°108.5°
C5CBECAS126.9°125.7°
NAAC6N1120.8°120.8°
C6NAAHNAA109.5°120.0°
C6NAAHNAB109.5°120.0°
C6N1C2120.8°121.1°
N1C2N3122.1°122.7°
N1C2H2118.9°118.7°
N3C2H2118.9°118.6°
CBHCAQCAO104.5°106.6°
CBHCAQHAQ111.2°110.1°
CBHCAQHAQA112.2°110.1°
CAQCBHCAR104.7°104.2°
CAQCBHNBI111.9°110.5°
CAQCBHHBH112.1°110.5°
CAOCAQHAQ111.2°110.0°
CAOCAQHAQA112.2°110.0°
CAQCAOCAP102.9°106.6°
CAQCAOHAO111.7°110.0°
CAQCAOHAOA113.2°110.0°
HAQCAQHAQA105.7°110.0°
CAPCAOHAO111.8°110.0°
CAPCAOHAOA113.1°110.1°
CAOCAPCAR98.9°104.2°
CAOCAPHAP113.2°110.4°
CAOCAPHAPA115.3°110.5°
HAOCAOHAOA104.5°110.0°
CARCAPHAP113.2°110.5°
CARCAPHAPA115.3°110.6°
CAPCARCBH99.1°102.7°
CAPCARHAR113.1°110.8°
CAPCARHARA115.2°110.7°
HAPCAPHAPA101.6°110.5°
CBHCARHAR113.1°110.7°
CBHCARHARA115.2°110.8°
CARCBHNBI112.4°110.5°
CARCBHHBH111.5°110.5°
HARCARHARA101.8°110.8°
NBICBHHBH104.4°110.5°
CBHNBINAV123.9°125.9°
NBINAVCBE110.9°109.7°
NAVCBECAS127.1°125.8°
HNAANAAHNAB109.4°120.0°
CBECASCAZ110.9°109.5°
CBECASHAS109.0°109.4°
CBECASHASA108.7°109.5°
CAZCASHAS109.0°109.5°
CAZCASHASA108.7°109.5°
CASCAZCAH118.9°120.0°
CASCAZCAM120.8°119.9°
HASCASHASA110.6°109.4°
CAHCAZCAM120.3°120.1°
CAZCAHCAF120.1°120.1°
CAZCAHHAH119.9°119.9°
CAZCAMCBB119.9°119.9°
CAZCAMHAM120.1°120.1°
CBBCAMHAM120.0°120.0°
CAMCBBCAI119.4°119.9°
CAMCBBNAW123.8°120.1°
CAFCAHHAH120.0°120.0°
CAHCAFCAI119.3°120.1°
CAHCAFHAF120.3°119.9°
CAICAFHAF120.4°119.9°
CAFCAICBB121.0°119.9°
CAFCAIHAI119.5°120.1°
CBBCAIHAI119.5°120.1°
CAICBBNAW116.8°120.0°
CBBNAWCAY128.1°120.0°
CBBNAWHNAW116.0°120.0°
CAYNAWHNAW116.0°120.0°
NAWCAYNAX113.0°120.0°
NAWCAYOAB123.1°120.0°
NAXCAYOAB123.9°120.0°
CAYNAXCBC128.2°120.0°
CAYNAXHNAX115.9°120.0°
CBCNAXHNAX115.9°120.0°
NAXCBCCAJ117.1°120.1°
NAXCBCCAN123.2°120.1°
CAJCBCCAN119.4°119.9°
CBCCAJCAG120.9°119.9°
CBCCAJHAJ119.6°120.1°
CBCCANCBD120.1°119.9°
CBCCANHAN120.0°120.0°
CBDCANHAN119.9°120.1°
CANCBDCAK120.0°120.1°
CANCBDCBJ121.4°120.0°
CAGCAJHAJ119.5°120.0°
CAJCAGCAK119.3°120.1°
CAJCAGHAG120.3°119.9°
CAKCAGHAG120.4°120.0°
CAGCAKCBD120.3°120.1°
CAGCAKHAK119.8°119.9°
CBDCAKHAK119.8°119.9°
CAKCBDCBJ118.5°120.0°
CBDCBJFAE109.0°109.5°
CBDCBJFAD110.7°109.5°
CBDCBJFAC109.5°109.5°
FAECBJFAD108.9°109.4°
FAECBJFAC109.6°109.5°
FADCBJFAC109.2°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C5C4N3NBI179.0°179.6°
C4C5C6CBE179.0°180.0°
C4C5C6NAA179.4°180.0°
C4C5C6N10.0°0.0°
C5C4N3C20.0°0.1°
C5C4NBICBH179.1°179.8°
C5C4NBINAV0.1°0.3°
C4C5CBENAV0.1°0.1°
C4C5CBECAS177.2°180.0°
N3C4C5C60.1°0.0°
N3C4C5CBE179.2°179.9°
C4N3C2N10.2°0.1°
N3C4NBICBH0.0°0.2°
N3C4NBINAV179.2°180.0°
C4N3C2H2179.8°180.0°
NBIC4C5C6179.3°179.7°
NBIC4C5CBE0.0°0.3°
NBIC4N3C2179.0°179.6°
C4NBICBHCAQ86.6°125.3°
C4NBICBHCAR30.9°119.9°
C4NBICBHNAV179.1°179.9°
C4NBICBHHBH151.9°2.7°
C4NBINAVCBE0.2°0.3°
C5C6NAAN1179.4°180.0°
C5C6N1C20.2°0.0°
C6C5CBENAV179.3°179.9°
C5C6NAAHNAA83.5°6.0°
C5C6NAAHNAB156.5°174.1°
C6C5CBECAS1.9°0.1°
CBEC5C6NAA0.4°0.0°
CBEC5C6N1179.0°180.0°
C5CBENAVNBI0.2°0.1°
C5CBENAVCAS177.4°179.9°
C5CBECASCAZ131.7°95.5°
C5CBECASHAS108.3°144.5°
C5CBECASHASA12.3°24.5°
NAAC6N1C2179.3°180.0°
C6NAAHNAAHNAB120.0°180.0°
C6N1C2N30.3°0.0°
C6N1C2H2179.7°180.0°
N1C6NAAHNAA95.9°174.0°
N1C6NAAHNAB24.1°5.9°
N1C2N3H2180.0°180.0°
CBHCAQCAOHAQ120.0°119.3°
CBHCAQCAOHAQA121.9°119.3°
CBHCAQHAQHAQA122.0°121.5°
CBHCAQCAOCAP22.2°0.0°
CBHCAQCAOHAO97.8°119.2°
CBHCAQCAOHAOA144.6°119.4°
CAQCBHCARCAP40.1°37.9°
CAQCBHCARNBI121.7°118.7°
CAQCBHCARHBH121.5°118.7°
CAQCBHCARHAR79.9°80.4°
CAQCBHCARHARA163.6°156.2°
CAQCBHNBIHBH121.4°122.6°
CAQCBHNBINAV92.5°54.9°
CAOCAQHAQHAQA122.0°121.4°
CAQCAOCAPHAO120.0°119.3°
CAQCAOCAPHAOA122.4°119.3°
CAQCAOHAOHAOA122.7°121.4°
CAQCAOCAPCAR47.1°23.6°
CAQCAOCAPHAP167.2°142.3°
CAQCAOCAPHAPA76.4°95.2°
CAOCAQCBHCAR11.2°23.6°
CAOCAQCBHNBI133.3°142.3°
CAOCAQCBHHBH109.9°95.1°
HAQCAQCAOCAP142.2°119.3°
HAQCAQCAOHAO22.2°121.4°
HAQCAQCAOHAOA95.4°0.0°
HAQCAQCBHCAR108.8°142.9°
HAQCAQCBHNBI13.2°98.4°
HAQCAQCBHHBH130.1°24.2°
HAQACAQCAOCAP99.7°119.3°
HAQACAQCAOHAO140.3°0.1°
HAQACAQCAOHAOA22.7°121.3°
HAQACAQCBHCAR133.1°95.7°
HAQACAQCBHNBI104.9°23.0°
HAQACAQCBHHBH12.0°145.6°
CAPCAOHAOHAOA122.7°121.4°
CAOCAPCARHAP120.0°118.6°
CAOCAPCARHAPA123.6°118.7°
CAOCAPHAPHAPA124.3°122.5°
CAOCAPCARCBH53.3°37.9°
CAOCAPCARHAR66.7°80.3°
CAOCAPCARHARA176.9°156.3°
HAOCAOCAPCAR72.9°95.7°
HAOCAOCAPHAP47.2°23.0°
HAOCAOCAPHAPA163.6°145.5°
HAOACAOCAPCAR169.5°142.9°
HAOACAOCAPHAP70.4°98.4°
HAOACAOCAPHAPA46.0°24.1°
CARCAPHAPHAPA124.2°122.7°
CAPCARCBHHAR120.0°118.3°
CAPCARCBHHARA123.5°118.3°
CAPCARHARHARA124.2°123.3°
CAPCARCBHNBI161.8°156.6°
CAPCARCBHHBH81.4°80.8°
HAPCAPCARCBH173.4°156.6°
HAPCAPCARHAR53.4°38.3°
HAPCAPCARHARA63.1°85.1°
HAPACAPCARCBH70.2°80.8°
HAPACAPCARHAR169.8°160.9°
HAPACAPCARHARA53.3°37.5°
CBHCARHARHARA124.2°123.4°
CARCBHNBIHBH121.0°122.6°
CARCBHNBINAV150.0°60.0°
HARCARCBHNBI41.8°38.3°
HARCARCBHHBH158.6°160.9°
HARACARCBHNBI74.7°85.1°
HARACARCBHHBH42.1°37.5°
CBHNBINAVCBE179.0°179.8°
HBHCBHNBINAV28.9°177.5°
NBINAVCBECAS177.1°179.8°
NAVCBECASCAZ51.5°84.4°
NAVCBECASHAS68.6°35.6°
NAVCBECASHASA170.9°155.5°
CBECASCAZHAS120.0°120.0°
CBECASCAZHASA119.4°120.1°
CBECASHASHASA119.4°120.0°
CBECASCAZCAH39.3°90.3°
CBECASCAZCAM140.6°90.0°
CAZCASHASHASA119.4°120.0°
CASCAZCAHCAM179.9°179.7°
CASCAZCAMCBB179.5°180.0°
CASCAZCAMHAM0.5°0.0°
CASCAZCAHCAF179.8°180.0°
CASCAZCAHHAH0.2°0.0°
HASCASCAZCAH159.3°149.7°
HASCASCAZCAM20.6°30.0°
HASACASCAZCAH80.1°29.8°
HASACASCAZCAM100.0°150.0°
CAHCAZCAMCBB0.4°0.3°
CAHCAZCAMHAM179.6°179.7°
CAZCAHCAFHAH180.0°180.0°
CAZCAHCAFCAI0.2°0.0°
CAZCAHCAFHAF179.8°180.0°
CAZCAMCBBHAM180.0°180.0°
CAMCAZCAHCAF0.1°0.3°
CAMCAZCAHHAH179.9°179.7°
CAZCAMCBBCAI0.4°0.0°
CAZCAMCBBNAW179.5°179.7°
CAMCBBCAICAF0.2°0.2°
CAMCBBCAINAW179.1°179.8°
CAMCBBCAIHAI179.8°180.0°
CAMCBBNAWCAY1.3°144.3°
CAMCBBNAWHNAW178.7°35.7°
HAMCAMCBBCAI179.6°180.0°
HAMCAMCBBNAW0.5°0.3°
CAHCAFCAIHAF180.0°179.9°
CAHCAFCAICBB0.1°0.2°
CAHCAFCAIHAI179.9°180.0°
HAHCAHCAFCAI179.8°180.0°
HAHCAHCAFHAF0.1°0.0°
CAFCAICBBHAI180.0°179.8°
CAFCAICBBNAW179.3°180.0°
HAFCAFCAICBB179.9°179.7°
HAFCAFCAIHAI0.1°0.1°
CAICBBNAWCAY177.7°35.5°
CAICBBNAWHNAW2.2°144.5°
HAICAICBBNAW0.7°0.2°
CBBNAWCAYHNAW180.0°180.0°
CBBNAWCAYNAX178.5°175.4°
CBBNAWCAYOAB1.2°4.7°
NAWCAYNAXOAB179.7°179.9°
NAWCAYNAXCBC178.7°175.5°
NAWCAYNAXHNAX1.3°4.4°
HNAWNAWCAYNAX1.5°4.6°
HNAWNAWCAYOAB178.8°175.3°
CAYNAXCBCHNAX180.0°179.9°
CAYNAXCBCCAJ178.4°36.0°
CAYNAXCBCCAN7.2°144.3°
OABCAYNAXCBC1.6°4.6°
OABCAYNAXHNAX178.4°175.5°
NAXCBCCAJCAN174.7°179.7°
NAXCBCCANCBD174.1°180.0°
NAXCBCCANHAN5.9°0.1°
NAXCBCCAJCAG174.9°180.0°
NAXCBCCAJHAJ5.1°0.1°
HNAXNAXCBCCAJ1.6°144.0°
HNAXNAXCBCCAN172.8°35.6°
CAJCBCCANCBD0.3°0.3°
CAJCBCCANHAN179.8°179.8°
CBCCAJCAGHAJ180.0°180.0°
CBCCAJCAGCAK0.4°0.1°
CBCCAJCAGHAG179.7°180.0°
CBCCANCBDHAN180.0°179.9°
CANCBCCAJCAG0.2°0.3°
CANCBCCAJHAJ179.8°179.8°
CBCCANCBDCAK0.6°0.1°
CBCCANCBDCBJ176.2°180.0°
CANCBDCAKCAG0.5°0.2°
CANCBDCAKCBJ176.9°180.0°
CANCBDCAKHAK179.5°180.0°
CANCBDCBJFAE99.4°150.0°
CANCBDCBJFAD20.3°90.0°
CANCBDCBJFAC140.8°30.0°
HANCANCBDCAK179.4°180.0°
HANCANCBDCBJ3.8°0.0°
CAJCAGCAKHAG180.0°180.0°
CAJCAGCAKCBD0.0°0.2°
CAJCAGCAKHAK180.0°180.0°
HAJCAJCAGCAK179.6°180.0°
HAJCAJCAGHAG0.4°0.0°
CAGCAKCBDHAK180.0°179.8°
CAGCAKCBDCBJ176.4°179.8°
HAGCAGCAKCBD180.0°179.8°
HAGCAGCAKHAK0.0°0.0°
CAKCBDCBJFAE77.4°30.0°
CAKCBDCBJFAD162.9°90.0°
CAKCBDCBJFAC42.4°150.0°
HAKCAKCBDCBJ3.6°0.0°
CBDCBJFAEFAD120.8°120.0°
CBDCBJFAEFAC119.8°120.0°
CBDCBJFADFAC120.6°120.0°
FAECBJFADFAC119.6°120.0°

222415

PDB entries from 2024-07-10

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