Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
3INQ Chain:B ((32-145))
----------------------------------------------------------------------------------MAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYG-------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3INQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -82206 for 732 contacts (-112.3/contact) +
2D Compatibility (PS) -12448 + (NN) -5058 + (LL) 6216
1D Compatibility (HY) -17600 + (ID) 5700
Total energy: -116796.0 ( -159.56 by residue)
QMean score : 0.303
(partial model without unconserved sides chains):
PDB file :
Tito_3INQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3INQ-query.scw
PDB file :
Tito_Scwrl_3INQ.pdb
: