Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSNEILIVDDEDRIRRLLKMYLERESFEIHEASNGQEAYELAMENNYACILLDLMLPEMDGIQVATKLREHKQTPIIMLTAKGEETNRVEGFESGADDYIVKPFSPREVVLRVKALLRRTQSTTVEQSEPHARDVIEFKHLEIDNDAHRVLADNQEVNLTPKEYELLIYLAKTPNKVFDREQLLKEVWHYEFYGDLRTVDTHVKRLREKLNRVSSEAAHMIQTVWGVGYKFEVKSNDEPAK
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) -102609 for 1771 contacts (-57.9/contact) +
2D Compatibility (PS) -24326 + (NN) -13165 + (LL) 972
1D Compatibility (HY) -20800 + (ID) 4650
Total energy: -164578.0 ( -92.93 by residue)
QMean score : 0.478
(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
: