Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKLLETTLLKQLKETHDDF-SIQNINSLHGGYLNHVFQINSNLKPTVLWLNE-NKDSPKLSRQLIAIAILKKYFYSLIPDVYTSNRS---SIGCYYIMSKLNGENLERTL-PYLTTEEQIHFFKSMGHLLGNIHLIGSKEKVGYLDNLQRIPWKDWLGKYINSLIQDLLSQESHHNNSKWLTVQNA-LINHLEFID-EPNNFSFLHGDYYPGNILYTE--DFISGLLDFEWSLYGDPLYDFRVMEVFI-FREFPYHKEFYNSYQQVRKLPSDFYKTILFYAKVYQLELISMAYSCFSKDHYFIKNMEPDLINWASKNK 3N4U Chain:A ((1-281)) MRTYTFDQVEKAI-EQLYPDFTINTIEISGEGNDCIAYEINR-DFIFKFPKHSRGSTNLFNEVNILKR-IHNK-LPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINIS-GFKSNL---VLDFREKINEDNKKIKKLLSRELKG----PQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIPT--VLEKYRMKEKYWSFEKIIYGKE------------------------

General information: TITO was launched using: RESULT: Template: 3N4U.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 : 1194 16545 13.86 61.28 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 13.86 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.380

(partial model without unconserved sides chains): PDB file : Tito_3N4U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3n4u-query.scw PDB file : Tito_Scwrl_3N4U.pdb: