Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLSHIYKKEMIDALRDRKTILLTILVPMIMMLGLVFFYESMLSDKGEQYTLAVGHSLPPALESKLNEIDEISVKTFAKPEEAVDEGKADAYLNVPKEFDSYVNSMTPFKVDVYGNSIDQGSSNAMQLVQSALDQYKNEIVQQRLTNKHIDQSVIQPFTIQQKEADEEKGTSAIMLSAILPMLILTSIVSGAMPIALDIMAGEKDRKSIEALLLTPVSRNKVLVGKWLAVSTFGVASGVFALVFLILSTVLFTENLKTAFQLGDHMWSVIGASALIIVLSALLISAMELFISIMSSSVKEAQSYMSLVVFLPVFPMFFIFSKAPNQFDLSYFLIPFLNLHALFKQLLFGMVDPATILSTSGTIAVLIAIFFLLARACFLKDKWVLPK 3TQL Chain:A ((139-157)) --------------------------------------------------------------------------SEEDALMDLTSGRVDAVVG-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TQL.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 : 25 -1174 -46.94 -61.76 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.41 3D Compatibility (PKB) : -46.94 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.41 QMean score : 0.861

(partial model without unconserved sides chains): PDB file : Tito_3TQL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TQL-query.scw PDB file : Tito_Scwrl_3TQL.pdb: