Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
4A1W Chain:C ((32-145))
----------------------------------------------------------------------------------MAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYG-------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4A1W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -81114 for 722 contacts (-112.3/contact) +
2D Compatibility (PS) -12169 + (NN) -2206 + (LL) 6216
1D Compatibility (HY) -17600 + (ID) 5700
Total energy: -112573.0 ( -155.92 by residue)
QMean score : 0.318
(partial model without unconserved sides chains):
PDB file :
Tito_4A1W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4A1W-query.scw
PDB file :
Tito_Scwrl_4A1W.pdb
: