Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQLFLIIGAPGSGKTTDAELIAKNNSETIAHFSTGDLLRAESAKKTERGLLIEKFTSQGELVPLEIVVETILSAIKS-S-SKGIILIDGYPRSVEQMQALDKELNAQNEVILKSVIEVEVSENTAKERVLGRSRG---ADDNERVFHNRMRVFLDPLVEIQNFYKAKHLHKIINGERSIEEIVNEMQKYILSFAN
2BWJ Chain:A ((11-197))
KCKIIFIIGGPGSGKGTQCEKLVEKY--GFTHLSTGELLREELASESERSKLIRDIMERGDLVPSGIVLELLKEAMVASLGDTRGFLIDGYPREVKQGEEFGRR-----IGDPQLVICMDCSADTMTNRLLQMSRSSLPVDDTTKTIAKRLEAYYRASIPVIAYYETKTQLHKINAEGTPEDVFLQLCTAIDSIFL
General information:
TITO was launched using:
RESULT:
Template:
2BWJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -77151 for 1329 contacts (-58.1/contact) +
2D Compatibility (PS) -20367 + (NN) -13340 + (LL) 356
1D Compatibility (HY) -11200 + (ID) 2950
Total energy: -124652.0 ( -93.79 by residue)
QMean score : 0.536
(partial model without unconserved sides chains):
PDB file :
Tito_2BWJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BWJ-query.scw
PDB file :
Tito_Scwrl_2BWJ.pdb
: