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SZR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OCdoub1.21Å1.19Å
CCAsing1.51Å1.53Å
CAC54sing1.53Å1.52Å
CAO2sing1.43Å1.41Å
C54C55sing1.53Å1.55Å
C55C56sing1.47Å1.53Å
C56N57trip1.14Å1.13Å
CAHAsing1.09Å1.10Å
C54H541sing1.09Å1.10Å
C54H542sing1.09Å1.10Å
C55H552sing1.09Å1.10Å
C55H551sing1.09Å1.10Å
O2Hsing0.97Å0.95Å
COXTsing1.34Å1.49Å
OXTHXTsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OCCA120.6°120.0°
OCOXT120.9°119.9°
CCAC54108.4°109.5°
CCAO2109.5°109.5°
CCAHA109.6°109.5°
CACOXT118.5°120.0°
C54CAO2108.3°109.5°
CAC54C55109.3°109.5°
C54CAHA109.7°109.4°
CAC54H541109.5°109.5°
CAC54H542109.5°109.5°
O2CAHA111.3°109.4°
CAO2H109.5°114.0°
C54C55C56110.6°109.5°
C55C54H541109.5°109.5°
C55C54H542109.5°109.5°
C54C55H552109.2°109.5°
C54C55H551109.2°109.5°
C55C56N57179.7°180.0°
C56C55H552109.2°109.5°
C56C55H551109.2°109.5°
H541C54H542109.5°109.5°
H552C55H551109.5°109.5°
COXTHXT109.5°117.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OCCAOXT179.9°180.0°
OCCAC5473.0°115.0°
OCCAO2169.1°5.0°
OCCAHA46.7°125.0°
OCOXTHXT0.0°0.0°
CCAC54O2118.7°120.0°
CCAC54HA119.7°120.0°
CCAO2HA121.4°120.0°
CCAC54C55171.9°175.0°
CCAC54H54151.9°55.0°
CCAC54H54268.2°65.0°
CCAO2H180.0°60.1°
CACOXTHXT179.9°180.0°
C54CAO2HA120.6°119.9°
CAC54C55H541120.0°120.0°
CAC54C55H542120.0°120.0°
CAC54C55C5685.6°180.0°
CAC54H541H542120.1°120.0°
CAC54C55H55234.6°60.0°
CAC54C55H551154.2°60.0°
C54CAO2H62.0°60.0°
C54CACOXT107.0°65.0°
O2CAC54C5569.4°65.0°
O2CAC54H541170.6°175.0°
O2CAC54H54250.5°55.0°
O2CACOXT10.9°175.0°
C54C55C56H552120.2°120.0°
C54C55C56H551120.2°120.0°
C54C55C56N57126.0°112.4°
C55C54CAHA52.2°55.0°
C55C54H541H542120.1°120.0°
C54C55H552H551119.5°120.0°
C56C55C54H541154.4°60.0°
C56C55C54H54234.3°60.0°
C56C55H552H551119.5°120.0°
N57C56C55H552113.8°127.6°
N57C56C55H5515.8°7.6°
HACAC54H54167.8°65.1°
HACAC54H542172.2°175.0°
HACAO2H58.6°179.9°
HACACOXT133.3°55.0°
H541C54C55H55285.4°180.0°
H541C54C55H55134.2°60.0°
H542C54C55H552154.5°60.0°
H542C54C55H55185.8°180.0°

222415

PDB entries from 2024-07-10

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