Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
3FDL Chain:A ((32-143))
----------------------------------------------------------------------------------MAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVEL---------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3FDL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -77668 for 712 contacts (-109.1/contact) +
2D Compatibility (PS) -12085 + (NN) -3756 + (LL) 6136
1D Compatibility (HY) -17200 + (ID) 5600
Total energy: -110173.0 ( -154.74 by residue)
QMean score : 0.311
(partial model without unconserved sides chains):
PDB file :
Tito_3FDL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3FDL-query.scw
PDB file :
Tito_Scwrl_3FDL.pdb
: