Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLETKDLNLFLGNKHVLKNISLSIPVRGEIIGIMGPNGAGKSS---LIKSLI----GEFNATGTKLLYNKPIQQQLQ-HITYIPQKAHIDLDF-PISVEQVILSGCYKEIGW-FRRPNKSA-RDKLKQLLSDLELESLRHRQISELSGGQLQRVLVARALMSESEVYFLDEPFVGIDFSSEKLIMTKIENLKQQGKLILIIHHDLSKAKQYFDRIILLNQTLRYFGDSEEAMSVTRLNETFMSSTDCSDPSQRSNITC
4WBS Chain:A ((40-238))
-LVVRNLKKRYGSRTVVKDVSLDVK-SGEVVGLLGPNGAGKTTSFYMIVGLVPLDAGEIDLDG-KSISLLPIHKRASLGLSYLPQEASV---FRKLSVEENIRAVLELQVGDDGKRLSKDAIASRTEALLDELQISHLRENPALSLSGGERRRVEIARALATNPSFILLDEPFAGVDPIAVLEIQKIVKFLKQRNIGVLITDHNV-----------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4WBS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109792 for 1333 contacts (-82.4/contact) +
2D Compatibility (PS) -20228 + (NN) -7878 + (LL) 3760
1D Compatibility (HY) -12000 + (ID) 3350
Total energy: -149488.0 ( -112.14 by residue)
QMean score : 0.521
(partial model without unconserved sides chains):
PDB file :
Tito_4WBS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WBS-query.scw
PDB file :
Tito_Scwrl_4WBS.pdb
: