Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
3IO8 Chain:A ((32-146))
----------------------------------------------------------------------------------MAAVKQALREAGDEFELRYRRAFSDL---LHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGN------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3IO8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -74173 for 695 contacts (-106.7/contact) +
2D Compatibility (PS) -12202 + (NN) -4856 + (LL) 6440
1D Compatibility (HY) -17600 + (ID) 5600
Total energy: -107991.0 ( -155.38 by residue)
QMean score : 0.319
(partial model without unconserved sides chains):
PDB file :
Tito_3IO8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IO8-query.scw
PDB file :
Tito_Scwrl_3IO8.pdb
: