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



Input alignment information:
Query sequenceMSRGTRTFEIYRYDPDKDKAPYMQTFKLELT-DKHRMLLDALLALKVQDETLTFRRSCREGICGSDGVNINGKNGLACLQNLNDL---PEKIVIRPLPGLPVVKDLVVDMNQFYDQYDKIQPFLINNQPA-PPKERLQSPEEREHLNGLYECILCACCSTSCPSFWWNPDKFLGPSALLNAYRFIIDSRDTATAERLARLDDPFSLFRCKGIMNCVSVCPKGLNPTKAIGHIRNMLLDQAG
2WDQ Chain:J ((1-236))---MRLEFSIYRYNPDVDDAPRMQDYTLEADEGRDMMLLDALIQLKEKDPSLSFRRSCREGVCGSDGLNMNGKNGLACITPISALNQPGKKIVIRPLPGLPVIRDLVVDMGQFYAQYEKIKPYLLNNGQNPPAREHLQMPEQREKLDGLYECILCACCSTSCPSFWWNPDKFIGPAGLLAAYRFLIDSRDTETDSRLDGLSDAFSVFRCHSIMNCVSVCPKGLNPTRAIGHIKSMLLQR--


General information:
TITO was launched using:
RESULT:

Template: 2WDQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 1123 -31918 -28.42 -138.17
target 2D structure prediction score : 0.60
Monomeric hydrophicity matching model chain J : 0.90

3D Compatibility (PKB) : -28.42
2D Compatibility (Sec. Struct. Predict.) : 0.60
1D Compatibility (Hydrophobicity) : 0.90
QMean score : 0.544

(partial model without unconserved sides chains):
PDB file : Tito_2WDQ.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2WDQ-query.scw
PDB file : Tito_Scwrl_2WDQ.pdb: