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



Input alignment information:
Query sequenceMSGSTITPWVVGNWKMNPMRANANQLIEEFKQLLQQNQIADENCHVGVAPVSIALTTVQAQLQDAARTVYTVAQDVSRVAGTGAYTGEVSAELLKDSQINFVLVGHSERRDIFGDNVEILKAKLQNALNAGMTVIYCVGESLEQREQGQAEQVVLQQICDIAPVVTAEQWQNQVVIAYEPIWAIGTGKTASPQDAQAMHAKIREGLCQLTPAGSNIA----ILYGGSVKAENAVELAACPDINGALVGGASLNAASFYQIVQAFAQSK
3QST Chain:A ((6-255))------TFFVGGNWKANPKTV---QEAEKLVEMLNGAKV-EGNVEVVVAAPFVFLPTLQQKL----RKDWKVSAENVFTKPNGAFTGEVTVPMIKSFGIEWTILGHSERRDILKEDDEFLAAKAKFALENGMKIIYCCGEHLSEREAGKASEFVSAQIEKMIPAIPAGKW-DDVVIAYEPIWAIGTGKVASTQDAQEMCKVIRDILA--AKVGADIANKVRILYGGSVKPNNCNELAACPDVDGFLVGGASLEAG-FINIVNSNVHSK


General information:
TITO was launched using:
RESULT:

Template: 3QST.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1303 -118159 -90.68 -480.32
target 2D structure prediction score : 0.62
Monomeric hydrophicity matching model chain A : 0.83

3D Compatibility (PKB) : -90.68
2D Compatibility (Sec. Struct. Predict.) : 0.62
1D Compatibility (Hydrophobicity) : 0.83
QMean score : 0.505

(partial model without unconserved sides chains):
PDB file : Tito_3QST.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3QST-query.scw
PDB file : Tito_Scwrl_3QST.pdb: