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C22

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OCdoub1.21Å1.22Å
COXTsing1.34Å1.34Å
CCAsing1.51Å1.50Å
CANsing1.47Å1.46Å
NHNsing1.01Å1.00Å
NHNAsing1.01Å1.00Å
CLCBsing1.80Å1.79Å
CACBsing1.53Å1.53Å
CAHAsing1.09Å1.10Å
CBHBsing1.09Å1.10Å
CBHBAsing1.09Å1.10Å
OXTHXTsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OCOXT124.3°120.0°
OCCA119.7°120.0°
OXTCCA115.9°120.0°
COXTHXT109.5°117.0°
CCAN110.4°109.4°
CCACB110.6°109.4°
CCAHA106.9°109.5°
CANHN109.5°111.0°
CANHNA109.5°111.0°
NCACB105.7°109.5°
NCAHA111.7°109.5°
HNNHNA109.4°111.0°
CLCBCA111.1°109.5°
CLCBHB108.9°109.5°
CLCBHBA108.9°109.4°
CBCAHA111.5°109.5°
CACBHB108.9°109.5°
CACBHBA108.9°109.5°
HBCBHBA110.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OCOXTCA179.4°179.8°
OCCAN118.4°20.3°
OCCACB124.9°99.7°
OCCAHA3.3°140.2°
OCOXTHXT0.0°0.3°
OXTCCAN61.1°160.0°
OXTCCACB55.6°80.0°
OXTCCAHA177.2°40.0°
CCANCB119.7°119.9°
CCANHA118.8°120.0°
CCANHN180.0°60.0°
CCANHNA60.0°176.1°
CCACBCL44.7°180.0°
CCACBHA118.8°120.0°
CCACBHB75.3°60.1°
CCACBHBA164.7°60.0°
CACOXTHXT179.4°179.9°
CANHNHNA120.0°123.9°
NCACBCL164.3°60.0°
NCACBHA121.6°120.0°
NCACBHB44.3°180.0°
NCACBHBA75.7°59.9°
HNNCACB60.3°59.9°
HNNCAHA61.2°180.0°
HNANCACB179.7°63.9°
HNANCAHA58.8°56.1°
CLCBCAHB120.0°120.0°
CLCBCAHBA120.0°120.0°
CLCBCAHA74.1°60.0°
CLCBHBHBA119.3°120.0°
CACBHBHBA119.3°120.1°
HACACBHB165.9°60.0°
HACACBHBA45.9°180.0°

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PDB entries from 2024-07-10

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