Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQLFLIIGAPGSGKTTDAELIAKNNSETIAHFSTGDLLRAESAKKTERGLLIEKFTSQGELVPLEIVVETILSAIKSS---SKGIILIDGYPRSVEQMQALDKELNAQNEVILKSVIEVEVSENTAKERVLGRSRGA---DDNERVFHNRMRVFLDPLVEIQNFYKAK-HLHKIINGERSIEEIVNEMQKYILSFAN
2BWJ Chain:F ((13-194))
--KIIFIIGGPGSGKGTQCEKLVEKYGFT--HLSTGELLREELASESERSKLIRDIMERGDLVPSGIVLELLKEAMVASLGDTRG-FLIDGYPREVKQGEEFGRRIGDPQLVIC-----MDCSADTMTNRLLQMSRSSLPVDDTTKTIAKRLEAYYRASIPVIAYYETKTQLHK-INAEGTPEDVFLQLCTAIDSIFL
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) -75461 for 1264 contacts (-59.7/contact) +
2D Compatibility (PS) -19383 + (NN) -9701 + (LL) 1564
1D Compatibility (HY) -14800 + (ID) 3200
Total energy: -120981.0 ( -95.71 by residue)
QMean score : 0.559
(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
: