Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDFREVIEQRYHQLLSRYIAELTETSLYQAQKFSRKTIEHQIPPEEIISIHRKVLKELYPSLPEDVFHSLDFLIEVMIGYGMAYQEHQTLRGIQQEIKSEIEIAANVQQTLLGTKVPQEEALDIGAISVPAKQMSGDYYHFVKDKESINIAIADVIGKGIPAALCMSMIKYAMDSLPETGIHPSQVLKNLNRVVEQNVDASMFITMFYANYNMDKHQFTYASAGHEPGFYYSQKDNTFYDLEAKGLVLGISQD--YDYKQFDQHLEKGDMIVLFSDGVTECRTENGFLERPDLQKLIEEHMCSSAQEMVKNIYDSLLKLQDFQLHDDFTLIVLRRKV 3W42 Chain:A ((16-198)) -----------------------------------------------------------------------------------------------------------------------------QLNKEGKSICGDSFFMKADDKELICAVADGLGSGSLANESSAAIKDLVENYAS--EDVESIIERCNQAMKN----KRGATASILKINFEQRQFTYCSVGNVRFILHSPSGESFYPLPI----SGYLSGKPQKYKTHTATYEKGSKFIIHTDGLNVP----------DIRSHLKK--GQSVEEISNSLKMYT-----TSRKDDLTYILGQL--

General information: TITO was launched using: RESULT: Template: 3W42.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 : 1028 -108957 -105.99 -601.97 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -105.99 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_3W42.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W42-query.scw PDB file : Tito_Scwrl_3W42.pdb: