Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
3R85 Chain:D ((30-144))
----------------------------------------------------------------------------------MAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGN------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3R85.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -75860 for 751 contacts (-101.0/contact) +
2D Compatibility (PS) -12213 + (NN) -1520 + (LL) 6296
1D Compatibility (HY) -17600 + (ID) 5750
Total energy: -106647.0 ( -142.01 by residue)
QMean score : 0.291
(partial model without unconserved sides chains):
PDB file :
Tito_3R85.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R85-query.scw
PDB file :
Tito_Scwrl_3R85.pdb
: