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CS1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OCdoub1.21Å1.24Å
COXTsing1.34Å1.42Å
CCAsing1.51Å1.51Å
CANsing1.47Å1.44Å
CACBsing1.53Å1.53Å
CAHAsing1.09Å1.10Å
NHsing1.01Å1.00Å
NH2sing1.01Å1.00Å
CBSGsing1.81Å1.78Å
CBHB2sing1.09Å1.10Å
CBHB3sing1.09Å1.10Å
SGSDsing2.05Å2.02Å
SDCEsing1.76Å1.71Å
CEC5sing1.39Å1.39ÅAromatic
CEC1doub1.40Å1.38ÅAromatic
C5C4doub1.38Å1.40ÅAromatic
C5H5sing1.08Å1.08Å
C4C3sing1.38Å1.38ÅAromatic
C4H4sing1.08Å1.08Å
C3C2doub1.38Å1.39ÅAromatic
C3H3sing1.08Å1.08Å
C2C1sing1.39Å1.40ÅAromatic
C2HC2sing1.08Å1.08Å
C1N1sing1.40Å1.35Å
N1HN11sing0.97Å1.00Å
N1HN12sing0.97Å1.00Å
OXTHXTsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OCOXT117.1°120.0°
OCCA121.5°120.0°
OXTCCA121.4°120.0°
COXTHXT109.5°117.0°
CCAN109.3°109.5°
CCACB110.6°109.5°
CCAHA109.3°109.4°
NCACB110.9°109.4°
NCAHA109.0°109.5°
CANH109.5°111.0°
CANH2109.5°111.0°
CBCAHA107.7°109.5°
CACBSG106.7°109.5°
CACBHB2110.4°109.4°
CACBHB3111.1°109.5°
HNH2109.5°111.0°
SGCBHB2110.4°109.5°
SGCBHB3111.0°109.5°
CBSGSD113.8°103.0°
HB2CBHB3107.3°109.4°
SGSDCE105.5°103.0°
SDCEC5121.8°120.1°
SDCEC1119.9°120.1°
C5CEC1118.3°119.8°
CEC5C4121.7°120.0°
CEC5H5119.1°120.0°
CEC1C2120.4°119.8°
CEC1N1119.0°120.1°
C4C5H5119.1°120.0°
C5C4C3119.5°120.2°
C5C4H4120.3°119.9°
C3C4H4120.3°119.9°
C4C3C2119.2°120.2°
C4C3H3120.4°119.9°
C2C3H3120.4°119.9°
C3C2C1120.8°120.0°
C3C2HC2119.6°120.0°
C1C2HC2119.6°120.0°
C2C1N1120.6°120.1°
C1N1HN11109.5°120.0°
C1N1HN12109.5°120.0°
HN11N1HN12109.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OCOXTCA177.8°179.8°
OCCAN129.5°20.0°
OCCACB108.1°100.0°
OCCAHA10.3°140.0°
OCOXTHXT0.0°0.0°
OXTCCAN48.2°160.3°
OXTCCACB74.2°79.7°
OXTCCAHA167.4°40.2°
CCANCB122.2°120.0°
CCANHA119.4°120.0°
CCACBHA119.4°120.0°
CCANH72.4°68.1°
CCANH2167.6°167.9°
CCACBSG57.3°174.8°
CCACBHB2177.3°65.2°
CCACBHB363.8°54.7°
CACOXTHXT177.8°179.7°
NCACBHA119.1°120.0°
CANHH2120.0°124.0°
NCACBSG178.8°65.2°
NCACBHB261.2°54.8°
NCACBHB357.7°174.8°
CBCANH49.8°51.9°
CBCANH270.2°72.1°
CACBSGHB2120.0°120.0°
CACBSGHB3121.1°120.1°
CACBHB2HB3121.2°120.0°
CACBSGSD81.4°77.2°
HACANH168.2°171.9°
HACANH248.2°47.8°
HACACBSG62.1°54.8°
HACACBHB257.9°174.8°
HACACBHB3176.8°65.3°
SGCBHB2HB3121.1°120.0°
CBSGSDCE77.9°85.0°
HB2CBSGSD158.6°42.8°
HB3CBSGSD39.7°162.8°
SGSDCEC576.5°0.0°
SGSDCEC1104.2°179.7°
SDCEC5C1179.3°179.7°
SDCEC5C4178.5°180.0°
SDCEC5H51.5°0.1°
SDCEC1C2178.9°179.7°
SDCEC1N10.1°0.0°
CEC5C4H5180.0°179.9°
CEC5C4C32.0°0.1°
CEC5C4H4178.0°179.9°
C5CEC1C21.7°0.6°
C5CEC1N1179.4°179.7°
C1CEC5C42.2°0.3°
C1CEC5H5177.8°179.8°
CEC1C2C31.1°0.6°
CEC1C2N1178.8°179.7°
CEC1C2HC2178.9°179.7°
CEC1N1HN1113.6°0.0°
CEC1N1HN12133.5°180.0°
C5C4C3H4180.0°179.8°
C5C4C3C21.2°0.1°
C5C4C3H3178.7°180.0°
H5C5C4C3178.1°179.9°
H5C5C4H41.9°0.0°
C4C3C2H3180.0°179.9°
C4C3C2C10.8°0.2°
C4C3C2HC2179.1°180.0°
H4C4C3C2178.7°179.9°
H4C4C3H31.3°0.2°
C3C2C1HC2180.0°179.8°
C3C2C1N1180.0°179.8°
H3C3C2C1179.1°179.7°
H3C3C2HC20.9°0.1°
C2C1N1HN11165.3°179.7°
C2C1N1HN1245.3°0.3°
HC2C2C1N10.0°0.0°
C1N1HN11HN12120.0°180.0°

217705

PDB entries from 2024-03-27

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