Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
4A1W Chain:B ((32-146))
----------------------------------------------------------------------------------MAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGN------------------------------------
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) -84401 for 767 contacts (-110.0/contact) +
2D Compatibility (PS) -12330 + (NN) -2143 + (LL) 6296
1D Compatibility (HY) -17600 + (ID) 5750
Total energy: -115928.0 ( -151.14 by residue)
QMean score : 0.353
(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
: