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The alignment is set to retain maximum equivalence in TM, and important motifs such as DRY and NPXXY (in TM3 and TM6, respectively) were kept aligned in both query and template.
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For unbound proteins, the structural alignment between query and template is implemented to map the ligands in bound proteins to the unbound proteins.
Sn1 is the raw score S normalized by the length of alignment including gaps between the query and template sequences.
(iii) If a homology model exists, we then check for sequence identity (S.I). between the query and template structures and the completeness of the homologous structure.
The fragment transformation method [ 22] was used to align query and template structures.
The Needleman-Wunsch dynamic programming algorithm [ 30] is used to find the best match between query and template sequences.
The query and template sequences showed 78% identity and 6 e − 87 Evalue in sequence alignment and were taken as template for homology modeling.
Second, within each region, a distance matrix was created by calculating the 3D distance between every glycan of the query and template models.
Because of the stringent alignment threshold used for identifying query and template domain instances, lots of instances with large sequence variation under the same domain ID are filtered out, leaving very few domain instances for study.
(b) Matching between query and templates.
We add the distance into the set which is constituted by the distance between the query and templates.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com