Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDFREVIEQRYHQLLSRYIAELTETSLYQAQKFSRKTIEHQIPPEEIISIHRKVLKELYPSLPEDVFHSLDFLIEVMIGYGMAYQEHQTLRGIQQEIKSEIEIAANVQQTLLGTKVPQEEALDIGAISVPAKQMSGDYYHFVKDKESINIAIADVIGKGIPAALCMSMIKYAMDSLPETGIHPSQVLKNLNRVVEQNVDASMFITMFYANYNMDKHQFTYASAGHEPGFYYSQKDNTFYDLEAKGLVLGISQDYDYKQFDQHLEKGDMIVLFSDGVTECRTENGFLERPDLQKLIEEHMCSSAQEMVKNIYDSLLKLQDFQLHDDFTLIVLRRKV 3W43 Chain:A ((21-195)) ----------------------------------------------------------------------------------------------------------------------------------GKSICGDSFFMKADDKELICAVADGLGSGSLANESSAAIKDLVENYASEDVE--SIIERCNQAMKNKRGATASILKI----NFEQRQFTYCSVGNVRFILHSPSGESFYPLPISGYLSGKPQ--KYKTHTATYEKGSKFIIHTDG----------LNVPDIRSHLKK------GQSVEEISNS-LKMYTTSRKDDLTYIL-----

General information: TITO was launched using: RESULT: Template: 3W43.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 : 954 -111376 -116.75 -636.43 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -116.75 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.424

(partial model without unconserved sides chains): PDB file : Tito_3W43.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W43-query.scw PDB file : Tito_Scwrl_3W43.pdb: