Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
4A1W Chain:A ((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) -81153 for 730 contacts (-111.2/contact) +
2D Compatibility (PS) -12271 + (NN) -2752 + (LL) 6296
1D Compatibility (HY) -17600 + (ID) 5750
Total energy: -113230.0 ( -155.11 by residue)
QMean score : 0.315
(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
: