Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRALETIATLREYRKSLKESVGFVPTMGALHRGHQSLIERSLK-ENSHTIVSVFVNPTQFGANEDFSAYPRPLEKDLALCEKSGVNAVFAPKIGEMYPYEAKQRLKLYAPAFLSHSLEGAVRKGHFDGVVQVVLRLFHLTNPTRAYFGKKDAQQLLIIQHLVQDLLLDIEIAPCEIVRDSDNLALSSRNVCLNATERKQALAIPKALEKIQQAIDRGEKACEKLKKLGLEILKNLEVDYLECCNHKLEPLKTIEPANTL--VLVAARVGKTRLLDNLWV
4DDH Chain:A ((34-285))
--------------------VMLVPTMGALHEGHLALVRAAKRVPGSVVVVSIFVNPMQFGAGGDLDAYPRTPDDDLAQLRAEGVEIAFTPTTAAMYPDGLRTTVQ---PGPLAAELEGGPRPTHFAGVLTVVLKLLQIVRPDRVFFGEKDYQQLVLIRQLVADFNLDVAVVGVPTVREADGLAMSSRNRYLDPAQRAAAVALSAALTAAAHAATAGAQAALDAARAVLDAAPGVAVDYLELRDIGLGPM----PLNGSGRLLVAARLGTTRLLDNIAI
General information:
TITO was launched using:
RESULT:
Template:
4DDH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -130394 for 2013 contacts (-64.8/contact) +
2D Compatibility (PS) -26788 + (NN) -10047 + (LL) 2944
1D Compatibility (HY) -19600 + (ID) 5350
Total energy: -189235.0 ( -94.01 by residue)
QMean score : 0.450
(partial model without unconserved sides chains):
PDB file :
Tito_4DDH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DDH-query.scw
PDB file :
Tito_Scwrl_4DDH.pdb
: