Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSEQVRVLVVDDEDRIRRLLKMYLERENYRIEEASDGDQALSMALNNNYEVILLDLMMPGKDGIEVCRELREFKSTPVVMLTAKGEEANRVQGFEVGADDYIVKPFSPREVVLRVKAVLRRAKQSSEESAGGTPGDIITFPHLKIDNEAHRVIVDGKEIGLTPKEYDLLYYLAKSPDKVFDRESLLKEVWRYEFFGDLRTIDTHVKRLREKLHDVSEDAARMIVTVWGLGYKFEVPED
2GWR Chain:A ((5-228))
---RQRILVVDDDASLAEMLTIVLRGEGFDTAVIGDGTQALTAVRELRPDLVLLDLMLPGMNGIDVCRVLRADSGVPIVMLTAKTDTVDVVLGLESGADDYIMKPFKPKELVARVRARLRRNDDEPA--------EMLSIADVEIDVPAHKVTRNGEQISLTPLEFDLLVALARKPRQVFTRDVLLEQVWGYR--ADTRLVNVHVQRLRAKVEKDPE-NPTVVLTVRGVGYKAGPP--
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) -124748 for 1771 contacts (-70.4/contact) +
2D Compatibility (PS) -24187 + (NN) -13615 + (LL) 116
1D Compatibility (HY) -20000 + (ID) 4850
Total energy: -187284.0 ( -105.75 by residue)
QMean score : 0.499
(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
: