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BB6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NCAsing1.41Å1.38Å
CACsing1.41Å1.54Å
CACBdoub1.35Å1.39Å
COdoub1.22Å1.24Å
COXTsing1.35Å1.35Å
CBSGsing1.76Å1.72Å
CBCDsing1.51Å1.55Å
NHsing0.97Å1.00Å
NH2sing0.97Å1.00Å
OXTHXTsing0.97Å0.95Å
SGHGsing1.41Å1.30Å
CDHD1Csing1.09Å1.10Å
CDHD2Csing1.09Å1.10Å
CDHD3Csing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NCAC118.7°120.0°
NCACB113.5°120.0°
CANH109.5°120.0°
CANH2109.5°120.0°
CCACB127.8°120.0°
CACO122.5°120.1°
CACOXT113.0°120.0°
CACBSG109.4°120.0°
CACBCD128.1°120.0°
OCOXT121.8°120.0°
COXTHXT109.5°114.0°
SGCBCD122.6°120.0°
CBSGHG109.5°100.0°
CBCDHD1C109.5°109.5°
CBCDHD2C109.4°109.5°
CBCDHD3C109.4°109.5°
HNH2109.5°120.0°
HD1CCDHD2C109.5°109.5°
HD1CCDHD3C109.5°109.4°
HD2CCDHD3C109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NCACCB179.9°179.9°
NCACO159.1°87.1°
NCACOXT2.6°92.9°
NCACBSG0.4°5.5°
NCACBCD179.7°174.5°
CANHH2120.0°179.8°
CACOOXT160.1°179.9°
CCACBSG179.5°174.4°
CCACBCD0.4°5.6°
CCANH170.2°0.1°
CCANH250.2°179.7°
CACOXTHXT161.9°179.9°
CBCACO20.8°92.8°
CBCACOXT177.4°87.2°
CACBSGCD179.9°179.9°
CBCANH9.7°180.0°
CBCANH2129.7°0.2°
CACBSGHG145.3°179.9°
CACBCDHD1C124.0°4.7°
CACBCDHD2C116.0°124.8°
CACBCDHD3C4.0°115.2°
OCOXTHXT0.0°0.0°
SGCBCDHD1C55.9°175.2°
SGCBCDHD2C64.1°55.2°
SGCBCDHD3C176.0°64.8°
CDCBSGHG34.7°0.0°
CBCDHD1CHD2C120.0°120.0°
CBCDHD1CHD3C120.0°120.0°
CBCDHD2CHD3C120.0°120.0°
HD1CCDHD2CHD3C120.0°120.0°

221716

PDB entries from 2024-06-26

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