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Thus, in order to improve the success rate of computational full-sequence design methods, we recommend that multiple template structures are used.
This is mainly attributed to its highly optimized knowledge-based potential and the efficiency in combining complementary threading alignments from multiple template structures.
Future improvements will include modelling based on multiple template structures, as well as iterative alignment, fitting and refinement using a combination of CCF and statistical potential scores (Topf et al., 2005, 2006).
Therefore, to capture an "average" DFG-out conformation, we developed an approach, DFGmodel, to generate DFG-out models for the target kinase based on homology modeling of multiple template structures.
50 initial atomic models of each motor domain (in each nucleotide state) were built using Modeller v9.12 (Sali and Blundell, 1993) based on multiple template structures (see Table 2).
The full catalytic domain has slightly higher RMSD (1.11 Å) despite the identical sequence, suggesting that the N-lobe can adopt a range of positions relative to the C-lobe in DFG-out crystal structures, supporting our approach to use multiple template structures to represent the rigid movement of the N/C-lobes.
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This demonstrates that the algorithm can accurately predict protein topology without the need for large multiple sequence alignments, homologous template structures, or experimental restraints.
Models of the first and second half of DEG7 were created using the MODELLER 9v6 program [ 30] with multiple template alignment, using the structure files 2pzd.pdb [ 31], 1lcy.pdb [ 7], 3cs0.pdb [ 12] and 1ky9.pdb [ 9] as templates.
Because the crystal structure of C4-LysR is not available, multiple template threading was employed (see " Methods").
This established method of superimposing GPCR structures [35] allowed us to quickly generate superimposed co-ordinates of the template structures that could then be used to improve a multiple sequence alignment (MSA).
We present a dual-beam multiple exposure technique that can generate complex 2-D and 3-D band gap template structures in a photosensitive material.
Related(18)
various template structures
multiple model structures
multiple interlinked structures
multiple template controls
multiple template fingerprints
multiple possible structures
multiple weave structures
multiple template sources
multiple different structures
multiple template models
multiple template images
multiple new structures
multiple flawed structures
multiple template sequences
multiple template categories
multiple template genomes
multiple template maps
multiple template plants
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