Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDKILSVEHLMMHFGGIKALNDVNLDVERGSITALIGPNGAGKTTVFNCLTGFYKATGGNILLNTQGRTTDVIQVLGEPFQLDDFVKPPQLGSRLYYKMFGGTHLVNRAGLARTFQNIRLFKDMSVVENLLVAQHMFVNRNLLAGILNTPGYRRAESEALDHAFYWLEVVDLVDCANRLAGEMSYGQQRRLEIARAMCTRPELICLDEPAAGLNPAETHALSNIVRYLRDHHGITVLLIEHDMGMVMNISDHIIVLDHGDVIARGNPEQIRHDEKVIAAYLGADEEELS
4WBS Chain:A ((40-277))
-----LVVRNLKKRYGSRTVVKDVSLDVKSGEVVGLLGPNGAGKTTSFYMIVGLVPLDAGEIDLD--GKSISLLPI----------------------------HKRASLGLSYLPQEASVFRKLSVEENIRAVLELQVGDD---------GKRLSKDAIASRTEALLDELQISHLRENPALSLSGGERRRVEIARALATNPSFILLDEPFAGVDPIAVLEIQKIVKFLKQRN-IGVLITDHNVRETLGICDHAYIISDGSVLAAGAPGDIIENESVRRVYLG-------
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) -207523 for 1910 contacts (-108.7/contact) +
2D Compatibility (PS) -25578 + (NN) -10282 + (LL) 2456
1D Compatibility (HY) -14800 + (ID) 4000
Total energy: -259727.0 ( -135.98 by residue)
QMean score : 0.452
(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
: