Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRALETIATLREYRKSLKESVGFVPTMGALHRGHQSLIERSLK-ENSHTIVSVFVNPTQFGANEDFSAYPRPLEKDLALCEKSGVNAVFAPKIGEMYPYEAKQRLKLYAPAFLSHSLEGAVRKGHFDGVVQVVLRLFHLTNPTRAYFGKKDAQQLLIIQHLVQDLLLDIEIAPCEIVRDSDNLALSSRNVCLNATERKQALAIPKALEKIQQAIDRGEKACEKLKKLGLEILKNLEVDYLECCNHKLEPLKTIEPANTL--VLVAARVGKTRLLDNLWV
3IUE Chain:B ((34-285))
--------------------VMLVPTMGALHEGHLALVRAAKRVPGSVVVVSIFVNPMQ----------PRTPDDDLAQLRAEGVEIAFTPTTAAMYPDGLRTTVQ---PGPLAAELEGGPRPTHFAGVLTVVLKLLQIVRPDRVFFGEKDYQQLVLIRQLVADFNLDVAVVGVPTVREADGLAMSSRNRYLDPAQRAAAVALSAALTAAAHAATAGAQAALDAARAVLDAAPGVAVDYLELRDIGLGPM----PLNGSGRLLVAARLGTTRLLDNIAI
General information:
TITO was launched using:
RESULT:
Template:
3IUE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -134232 for 1889 contacts (-71.1/contact) +
2D Compatibility (PS) -25895 + (NN) -9892 + (LL) 3336
1D Compatibility (HY) -18400 + (ID) 5050
Total energy: -190133.0 ( -100.65 by residue)
QMean score : 0.489
(partial model without unconserved sides chains):
PDB file :
Tito_3IUE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IUE-query.scw
PDB file :
Tito_Scwrl_3IUE.pdb
: