Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMAIRRIEGLLHLASEG-RYAILVGRFNSFVVEHLLEGAIDTLKRHGVNEDNITVIHAPGAWELPIVAKKLATSNQFDAIIALGAVIRGSTPHFDFVAGECAKGLGVVALESSLPVINGVLTTDSIEQAIERSGTKAGNKGSEAALTAIEMVNLLKAI
1NQU Chain:C ((8-153))-----------LTAEGLRFGIVASRFNHALVDRLVEGAIDCIVRHGGREEDITLVRVPGSWEIPVAAGELARKEDIDAVIAIGVLIRGATPHFDYIASEVSKGLANLSLELRKPITFGVITADTLEQAIERAGTKHGNKGWEAALSAIEMANLFKSL


General information:
TITO was launched using:
RESULT:

Template: 1NQU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 789 -42916 -54.39 -295.97
target 2D structure prediction score : 0.68
Monomeric hydrophicity matching model chain C : 0.88

3D Compatibility (PKB) : -54.39
2D Compatibility (Sec. Struct. Predict.) : 0.68
1D Compatibility (Hydrophobicity) : 0.88
QMean score : 0.587

(partial model without unconserved sides chains):
PDB file : Tito_1NQU.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1NQU-query.scw
PDB file : Tito_Scwrl_1NQU.pdb: