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T7H

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NCAsing1.47Å1.45Å
NC12sing1.47Å1.45Å
CAC1sing1.53Å1.52Å
C12C13sing1.51Å1.51Å
O2C13doub1.21Å1.25Å
C1S1sing1.81Å1.82Å
C13O5sing1.34Å1.26Å
C2Csing1.51Å1.54Å
C2C4sing1.53Å1.52Å
COdoub1.21Å1.33Å
S1C4sing1.81Å1.81Å
COXTsing1.34Å1.44Å
C12H1sing1.09Å1.10Å
C12H11sing1.09Å1.10Å
CAHA2sing1.09Å1.10Å
CAHA3sing1.09Å1.10Å
C1H5sing1.09Å1.10Å
C1H6sing1.09Å1.10Å
C2H7sing1.09Å1.10Å
C2H8sing1.09Å1.10Å
C4H9sing1.09Å1.10Å
C4H10sing1.09Å1.10Å
NHsing1.01Å1.00Å
O5H13sing0.97Å0.95Å
OXTHXTsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CANC12121.0°111.0°
NCAC1110.7°109.5°
NCAHA2109.2°109.5°
NCAHA3109.1°109.5°
CANH106.5°111.0°
NC12C13111.8°109.5°
NC12H1108.9°109.4°
NC12H11108.9°109.5°
C12NH106.5°111.0°
CAC1S1111.8°109.5°
C1CAHA2109.2°109.5°
C1CAHA3109.2°109.4°
CAC1H5108.9°109.4°
CAC1H6108.9°109.5°
C12C13O2119.3°120.0°
C12C13O5119.4°120.0°
C13C12H1108.9°109.5°
C13C12H11108.9°109.5°
O2C13O5121.3°120.0°
C1S1C4102.6°103.0°
S1C1H5108.9°109.5°
S1C1H6108.9°109.5°
C13O5H13109.5°117.0°
CC2C4109.5°109.5°
C2CO116.1°120.0°
C2COXT123.2°120.0°
CC2H7109.5°109.5°
CC2H8109.5°109.5°
C2C4S1112.5°109.5°
C4C2H7109.5°109.5°
C4C2H8109.5°109.5°
C2C4H9108.7°109.5°
C2C4H10108.7°109.5°
OCOXT119.8°120.1°
S1C4H9108.7°109.5°
S1C4H10108.7°109.5°
COXTHXT109.5°117.0°
H1C12H11109.5°109.5°
HA2CAHA3109.5°109.4°
H5C1H6109.5°109.4°
H7C2H8109.4°109.5°
H9C4H10109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CANC12H121.6°124.0°
NCAC1HA2120.2°120.1°
NCAC1HA3120.2°120.0°
CANC12C1369.9°180.0°
NCAC1S177.9°180.0°
CANC12H1169.7°60.1°
CANC12H1150.5°60.0°
NCAHA2HA3119.4°120.0°
NCAC1H542.4°60.0°
NCAC1H6161.7°59.9°
C12NCAC195.9°180.0°
NC12C13H1120.3°119.9°
NC12C13H11120.3°120.0°
NC12C13O210.6°0.0°
NC12C13O5169.9°180.0°
NC12H1H11118.9°120.0°
C12NCAHA2143.9°60.0°
C12NCAHA324.3°60.0°
CAC1S1H5120.3°120.0°
CAC1S1H6120.3°120.1°
CAC1S1C4180.0°180.0°
C1CAHA2HA3119.4°119.9°
CAC1H5H6118.9°120.0°
C1CANH142.5°56.0°
C12C13O2O5179.5°180.0°
C13C12H1H11119.0°120.1°
C13C12NH51.7°56.1°
C12C13O5H13179.4°180.0°
O2C13C12H1109.7°119.9°
O2C13C12H11131.0°120.0°
O2C13O5H130.0°0.0°
C1S1C4C274.5°180.0°
S1C1CAHA2161.9°59.9°
S1C1CAHA342.2°60.0°
S1C1H5H6118.9°120.0°
C1S1C4H9165.1°60.0°
C1S1C4H1046.0°60.0°
O5C13C12H169.8°60.0°
O5C13C12H1149.5°60.0°
CC2C4H7120.0°120.0°
CC2C4H8120.0°120.0°
C2COOXT169.9°179.9°
CC2C4S156.9°180.0°
CC2H7H8120.0°120.0°
CC2C4H963.6°60.0°
CC2C4H10177.3°60.0°
C2COXTHXT169.2°180.0°
C4C2CO66.4°0.0°
C2C4S1H9120.5°120.0°
C2C4S1H10120.4°120.0°
C4C2COXT124.0°180.0°
C4C2H7H8120.0°120.0°
C2C4H9H10118.6°120.0°
OCC2H753.6°120.0°
OCC2H8173.5°119.9°
OCOXTHXT0.0°0.1°
C4S1C1H559.6°60.0°
C4S1C1H659.7°59.9°
S1C4C2H7176.9°60.0°
S1C4C2H863.2°60.0°
S1C4H9H10118.6°120.0°
OXTCC2H7115.9°60.1°
OXTCC2H84.0°60.0°
H1C12NH68.6°63.9°
H11C12NH172.1°176.1°
HA2CAC1H577.8°60.1°
HA2CAC1H641.6°180.0°
HA2CANH22.3°176.0°
HA3CAC1H5162.6°180.0°
HA3CAC1H678.1°60.1°
HA3CANH97.4°64.0°
H7C2C4H956.4°180.0°
H7C2C4H1062.7°60.0°
H8C2C4H9176.4°60.0°
H8C2C4H1057.3°180.0°

224931

PDB entries from 2024-09-11

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