Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
4C5D Chain:B ((32-147))
----------------------------------------------------------------------------------MAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNN-----------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4C5D.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -79976 for 768 contacts (-104.1/contact) +
2D Compatibility (PS) -12418 + (NN) -3442 + (LL) 6376
1D Compatibility (HY) -17600 + (ID) 5800
Total energy: -112860.0 ( -146.95 by residue)
QMean score : 0.339
(partial model without unconserved sides chains):
PDB file :
Tito_4C5D.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4C5D-query.scw
PDB file :
Tito_Scwrl_4C5D.pdb
: