Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRALETIATLREYRKSLKESVGFVPTMGALHRGHQSLIERSLK-ENSHTIVSVFVNPTQFGANEDFSAYPRPLEKDLALCEKSGVNAVFAPKIGEMYPYEAKQRLKLYAPAFLSHSLEGAVRKGHFDGVVQVVLRLFHLTNPTRAYFGKKDAQQLLIIQHLVQDLLLDIEIAPCEIVRDSDNLALSSRNVCLNATERKQALAIPKALEKIQQAIDRGEKACEKLKKLGLEILKNLEVDYLECCNHKLEPLKTIEPANTL--VLVAARVGKTRLLDNLWV
3IUB Chain:A ((34-285))
--------------------VMLVPTMGALHEGHLALVRAAKRVPGSVVVVSIFVNPMQFGAGGDLDAYPRTPDDDLAQLRAEGVEIAFTPTTAAMYPDGLRTTVQ---PGPLAAELEGGPRPTHFAGVLTVVLKLLQIVRPDRVFFGEKDYQQLVLIRQLVADFNLDVAVVGVPTVREADGLAMSSRNRYLDPAQRAAAVALSAALTAAAHAATAGAQAALDAARAVLDAAPGVAVDYLELRDIGLGPM----PLNGSGRLLVAARLGTTRLLDNIAI
General information:
TITO was launched using:
RESULT:
Template:
3IUB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -124269 for 2015 contacts (-61.7/contact) +
2D Compatibility (PS) -26788 + (NN) -10047 + (LL) 2944
1D Compatibility (HY) -19600 + (ID) 5350
Total energy: -183110.0 ( -90.87 by residue)
QMean score : 0.487
(partial model without unconserved sides chains):
PDB file :
Tito_3IUB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IUB-query.scw
PDB file :
Tito_Scwrl_3IUB.pdb
: