Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTTSILIADDDKEIVDLVKLYLQNEGYTIYQAYDGAEVWRLVQEKQPTLVILDIMMPEMNGLEVCRLMRDNGILTPILMLSAKAEDNDKIMGLLTGADDYMVKPFNPLELSVRVKAILRRMQQMSQAEPVSQDKVIIGPIVVDRGLHVVTVGGKELHLTTSEFDILFLLASEPGRVFSSEYIFEKIWQEKALGASKTVMVHISNLRDKLREAMGGENVIKTIWGVGYKIEI
2GWR Chain:A ((5-226))
-RQRILVVDDDASLAEMLTIVLRGEGFDTAVIGDGTQALTAVRELRPDLVLLDLMLPGMNGIDVCRVLRAD-SGVPIVMLTAKTDTVDVVLGLESGADDYIMKPFKPKELVARVRARLRRNDDEPA------EMLSIADVEIDVPAHKVTRNGEQISLTPLEFDLLVALARKPRQVFTRDVLLEQVWGYR--ADTRLVNVHVQRLRAKVEKDPENPTVVLTVRGVGYKAG-
General information:
TITO was launched using:
RESULT:
Template:
2GWR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -159108 for 1752 contacts (-90.8/contact) +
2D Compatibility (PS) -23462 + (NN) -11534 + (LL) 952
1D Compatibility (HY) -17600 + (ID) 4200
Total energy: -214952.0 ( -122.69 by residue)
QMean score : 0.547
(partial model without unconserved sides chains):
PDB file :
Tito_2GWR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GWR-query.scw
PDB file :
Tito_Scwrl_2GWR.pdb
: