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


Input alignment information:
Query sequenceMSKQLIYSGKAKDIYTTEDENLIISTYKDQATAFNGVKKEQIAGKGVLNNQISSFIFEKLNAAGVATHFVEKLSDTEQLNKKVKIIPLEVVLRNYTAGSFSKRFGVDEGIALETPIVEFYYKNDDLDDPFINDEHVKFLQIADDQQIAYLKEEARRINELLKVWFAEIGLKLIDFKLEFGFDKDGKIILADEFSPDNCRLWDA-DGNHMDKDVFRRGLGELTDVYEIVWEKLQELK
2GQS Chain:B ((2-235))QKQAELYRGKAKTVYSTENPDLLVLEFRNDTSAGDGARIEQFDRKGMVNNKFNYFIMSKLAEAGIPTQMERLLSDTECLVKKLDMVPVECVVRNRAAGSLVKRLGIEEGIELNPPLFDLFLKNDAMHDPMVNESYCETFGWVSKENLARMKELTYKANDVLKKLFDDAGLILVDFKLEFGLY-KGEVVLGDEFSPDGSRLWDKETLEKMDKDRFRQSLGGLIEAYEAVARRLGVQ-


General information:
TITO was launched using:
RESULT:

Template: 2GQS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output 		Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1171 -38124 -32.56 -163.62
target 2D structure prediction score : 0.65
Monomeric hydrophicity matching model chain B : 0.84

3D Compatibility (PKB) : -32.56
2D Compatibility (Sec. Struct. Predict.) : 0.65
1D Compatibility (Hydrophobicity) : 0.84
QMean score : 0.415

(partial model without unconserved sides chains):
PDB file : Tito_2GQS.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2GQS-query.scw
PDB file : Tito_Scwrl_2GQS.pdb: