Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
4C52 Chain:A ((32-145))
----------------------------------------------------------------------------------MAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYG-------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4C52.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -86092 for 760 contacts (-113.3/contact) +
2D Compatibility (PS) -12069 + (NN) -2619 + (LL) 6216
1D Compatibility (HY) -17600 + (ID) 5700
Total energy: -117864.0 ( -155.08 by residue)
QMean score : 0.334
(partial model without unconserved sides chains):
PDB file :
Tito_4C52.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4C52-query.scw
PDB file :
Tito_Scwrl_4C52.pdb
: