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1X6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NCAsing1.47Å1.48Å
CACsing1.51Å1.54Å
CACBsing1.53Å1.53Å
COdoub1.21Å1.24Å
CBOGsing1.43Å1.42Å
OGC7sing1.35Å1.33Å
C7O8doub1.22Å1.23Å
C7C6sing1.41Å1.47Å
C6C5doub1.35Å1.32Å
C5N4sing1.37Å1.32Å
COXTsing1.34Å1.33Å
NHN1sing1.01Å1.00Å
NHN2sing1.01Å1.00Å
CAHAsing1.09Å1.10Å
CBHB1Csing1.09Å1.10Å
CBHB2Csing1.09Å1.10Å
C6H6sing1.08Å1.08Å
C5H5sing1.08Å1.08Å
N4H41Nsing0.97Å1.00Å
N4H42Nsing0.97Å1.00Å
OXTHXTsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NCAC115.1°109.5°
NCACB110.8°109.5°
CANHN1109.5°111.0°
CANHN2109.4°111.0°
NCAHA104.4°109.4°
CCACB109.3°109.5°
CACO120.3°120.0°
CACOXT117.8°120.0°
CCAHA106.2°109.5°
CACBOG111.5°109.5°
CBCAHA110.9°109.5°
CACBHB1C108.8°109.4°
CACBHB2C108.8°109.4°
OCOXT121.9°120.0°
CBOGC7131.0°116.9°
OGCBHB1C108.8°109.5°
OGCBHB2C108.8°109.5°
OGC7O8111.0°120.1°
OGC7C6129.9°120.0°
O8C7C6118.7°120.0°
C7C6C5115.9°120.0°
C7C6H6122.1°120.0°
C6C5N4121.4°120.0°
C5C6H6122.0°120.0°
C6C5H5119.3°120.0°
N4C5H5119.3°120.0°
C5N4H41N109.5°120.0°
C5N4H42N109.5°120.0°
COXTHXT109.5°117.0°
HN1NHN2109.5°111.0°
HB1CCBHB2C110.1°109.5°
H41NN4H42N109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NCACCB125.4°120.0°
NCACHA115.0°119.9°
NCACBHA115.5°120.0°
NCACO172.4°20.0°
NCACBOG64.0°65.0°
NCACOXT7.5°160.0°
CANHN1HN2120.0°124.0°
NCACBHB1C56.0°55.0°
NCACBHB2C176.0°175.0°
CCACBHA116.7°120.0°
CACOOXT179.9°179.9°
CCACBOG168.2°175.0°
CCANHN1180.0°63.9°
CCANHN260.0°60.0°
CCACBHB1C71.8°65.0°
CCACBHB2C48.1°54.9°
CACOXTHXT179.9°180.0°
CBCACO62.2°100.0°
CACBOGHB1C120.0°119.9°
CACBOGHB2C120.0°120.0°
CACBOGC787.0°180.0°
CBCACOXT117.9°79.9°
CBCANHN155.3°176.0°
CBCANHN2175.4°60.0°
CACBHB1CHB2C119.1°119.9°
OCCAHA57.4°140.0°
OCOXTHXT0.0°0.1°
CBOGC7O87.0°0.0°
CBOGC7C6166.0°180.0°
OGCBCAHA51.5°55.0°
OGCBHB1CHB2C119.2°120.1°
OGC7O8C6173.9°180.0°
OGC7C6C5165.2°180.0°
C7OGCBHB1C33.0°60.1°
C7OGCBHB2C153.0°60.0°
OGC7C6H614.8°0.0°
O8C7C6C57.3°0.0°
O8C7C6H6172.7°180.0°
C7C6C5H6180.0°180.0°
C7C6C5N4179.4°180.0°
C7C6C5H50.6°0.1°
C6C5N4H5180.0°179.9°
C6C5N4H41N180.0°0.1°
C6C5N4H42N60.0°180.0°
N4C5C6H60.6°0.0°
C5N4H41NH42N120.0°179.9°
OXTCCAHA122.5°40.1°
HN1NCAHA64.1°56.0°
HN2NCAHA56.0°180.0°
HACACBHB1C171.5°175.0°
HACACBHB2C68.5°65.1°
H6C6C5H5179.4°179.9°
H5C5N4H41N0.0°180.0°
H5C5N4H42N120.0°0.1°

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PDB entries from 2024-05-15

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