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First, coordinates of the missing residues of the FUNDC1 peptide were built using PyMOL and Ser17 in the FUNDC1 peptide was phosphorylated by PyTMs (Warnecke et al., 2014).
In particular, missing residues of the short 24- and 25-residue LRRs of Skp2 are located in the loops.
The final structure from the simulation of 4KTQ with the in silico I707L mutation was used to model in the missing residues of the fingers domain in the I707L mutant binary complex crystal structure.
For both fragments we find superposable helical proteins in the PDB that extend in a repeat pattern further into the space where we expect the missing residues of Nup188 to be positioned.
Starting coordinates for the missing residues of M2-1 that is N-terminal His6 and 3C protease cleavage site and disordered C-terminal region (residues 168 to 187) were added in extended conformations in Modeller (Eswar et al., 2008).
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Modeler 9v4 (33) was used to add missing residues to the crystal structures of KirBac1.1 [PDB entry 1P7B(4)] and the "dilated" (open cytosolic pore) conformation of the Kir3.1−KirBac1.3 chimera [KirChim; PDB entry 2QKS, chain A (5)].
During refinement, clear density became visible for missing residues 150 164 of the MutLLN40 subunits, which followed the conformation of PDB entry 1NHJ.
As the authors point out: "During refinement, clear density became visible for missing residues 150-164 of the MutLLN40 subunits, which followed the conformation of PDB entry 1NHJ.
Gaps of missing residues in the loops of the template structure were closed by the 'Loop Search' tool implemented in Sybyl 8.1 (Tripos Inc., St .Louis, Missouri, 63144, USA).
B and D chains were selected for both 2GFA and 2QQS structures, respectively because the number of missing residues were less than those of the A and C chains.
The 'MissRes' utility of BDE can be used for finding and extracting a list of missing residues in user-specified chain/s of PDB entry/ies.
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