Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLSHIYKKEMIDALRDRKTILL--TILVPMIMMLGLVFFYESMLSDKGEQYTLAVGHSLPPALESKLNEIDEISVKTFAKPEEAVDEGKADAYLNVPKEFDSYVNSMTPFKVDVYGNSIDQGSSNAMQLVQSALDQYKNEIVQQRLTNKHIDQSVIQPFTIQQKEADEEKGTSAIMLSAILPMLILTSIVSGAMPIALDIMAGEKDRKSIEALLLTPVSRNKVLVGKWLAVSTFGVASGVFALVFLILSTVLFTENLKTAFQ-LGDHMWSVIGASALIIVLSALLISAMELFISIMSS--SVKEAQSYMSL--VVFLPVFPMFFIFSKAPNQFDLSYFLIPFLNLHALFKQLLFGMVDPATILSTSGTIAVLIAIFFLLARACFLKDKWVLPK 1DMU Chain:A ((1-299)) -MYNLHREKIFMSYNQNKQYLEDNPEIQEKIELYGLNLLNEVISDN-------------EEEIRADYNEANFL--HPFWMNYPPLDRGKMPK------------GDQIPW--------IEVGEKAVGSKLTRLVSQRED---------------------ITVREIGLPTGPDERYLLTSPTIYSLTNGFTDSIMMFVDIKSVGP-RDSDYDLVLSPNQ-----------VSGNGDWAQLEGGI----------QNNQQTIQGPRSSQIFLPTIPPLYILSDGTIAPVVHLFIKPIYAMRSLTKGDTGQSLYKIKLASVPNGLGLFCNPGYAFDSAYKF--------LFRP---GKDDRTKSLLQKRVRVDLRVLDKIGPRVMTID----MDK

General information: TITO was launched using: RESULT: Template: 1DMU.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 : 1497 -175956 -117.54 -602.59 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -117.54 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.277

(partial model without unconserved sides chains): PDB file : Tito_1DMU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DMU-query.scw PDB file : Tito_Scwrl_1DMU.pdb: