TABLE 3

Fragmentation and amino acid composition of PUW variants from Symplocastrum muelleri strain 6 bearing acetyl substitutions on the FA moietya

Level of fragmentation
energy, peptide sequence
or fragment obtained
Value when X, Y, and FA are as indicated
X, Ala; Y, Thr; FA, C16X, Gly; Y, Thr; FA, C18X, Ala; Y, Thr; FA, C18X, Gly; Y, Val; FA, C18X, Ala; Y, Val; FA, C18
m/zΔ(ppm)Sum formulam/zΔ(ppm)Sum formulam/zΔ(ppm)Sum formulam/zΔ(ppm)Sum formulam/zΔ(ppm)Sum formula
Low fragmentation energy (60 eV)
    [M+H]+1,265.7338+0.7C59H101N12O181,279.7496+0.9C60H103N12O181,293.7654+0.8C61H105N12O181,277.7695+1.6C61H105N12O171,291.7870+0.1C62H107N12O17
    [M-CH3OH]+1,233.7170−6.6C58H97N12O171,247.7194+4.1C59H99N12O171,261.7494−7.3C60H101N12O17Low int.C60H101N12O16Low int.C61H103N12O16
    [M-CH3OH-NMeAsn]+1,105.6558−4.9C53H89N10O151,119.6619+3.7C54H91N10O151,133.681+0.6C55H93N10O151,117.6924−5.0C55H93N10O141,131.7307−25.0C56H95N10O14
    [M-CH3OH-NMeAsn-Dhb]+1,022.6180−4.7C49H84N9O141,036.6365−7.3C50H86N9O141050.6478−3.1C51H88N9O141,134.6603−10.3C51H88N9O131,048.6671−1.7C52H90N9O13
    [M-CH3OH-NMeAsn-Dhb-X]+951.5785−2.5C48H83N8O13979.589+18.8C48H83N8O13979.6041+3.4C48H83N8O13977.6481−20.5C49H85N8O12977.6518−24.1C49H85N8O12
    [M-CH3OH-NMeAsn-Dhb-X-Gln]+823.5253−9.4C41H71N6O11851.5473+1.8C43H75N6O11851.5478+1.2C43H75N6O11849.5838−16.7C44H76N6O10849.5589+12.5C44H77N6O10
    [M-CH3OH-NMeAsn-Dhb-X-Gln-Y]+722.4729−4.2C37H64N5O9750.5005+0.9C39H68N5O9750.5147−18.1C39H68N5O9Low int.C40H72N5O8Low int.C40H72N5O8
    [M-CH3OH-NMeAsn-Dhb-X-Gln-Y-Thr]+621.4223−0.2C33H57N4O7649.4526+1.4C35H61N4O7649.4539−0.6C35H61N4O7649.465−17.8C35H61N4O7649.4483+8.0C35H61N4O7
High fragmentation energy (100 eV)
    Fragment 1411.3208+2.2C23H43N2O4439.3559−6.5C25H47N2O4439.3556−5.8C25H47N2O4439.3556−5.8C25H47N2O4439.3508+5.1C25H47N2O4
    Fragment 1, C2H4O2351.3006+0.0C21H39N2O2379.3334−4.0C23H43N2O2379.3329−2.6C23H43N2O2379.3328−2.4C23H43N2O2379.3360−10.8C23H43N2O2
    Fragment 2284.2583+0.4C17H34NO2312.2919−6.9C19H38NO2312.2892+1.6C19H38NO2Low int.C19H38NO2Low int.C19H38NO2
    Fragment 2, C2H4O2224.2367+2.6C15H30N252.26860.0C17H34N252.2687−0.5C17H34N252.2684+0.7C17H34N252.2677+3.5C17H34N
  • a Low int., low intensity (defined here as a signal-to-noise ratio lower than 2). For detailed methods, see Materials and Methods.