Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTIRPDIFSEIKQYIDIFHIEPVRKGYSEDMKYLLTAKSGERFLLRITESDNTQILAGRKEMYSLMDTLAK-YSSLVPRSRACWISH-NAYSCIMIHEYIEGDDGEESL-HRYSQETQYEIGYRAGIELKKLHQLAAPATLS----SWYTRKKQKHERYCDACNREHLAPEELDLEPIHRYIADNIHL--MKNVSQTFQHDDYHPANLIINN--GQLTGIIDFNRYDWGDPIHDFYKLAFFSR-EISIPFSRGQIDGYFMGNVPSDFWKRYALYNAMSIVPSIVWFSRMASRKEFRDELKRAITLIRTLIDDHKGFTSAIPQWYQ 3N4U Chain:A ((16-286)) ----------LYPDFTINTIEISGEGNDCI-AYEI----NRDFIFKFPKHSR--GSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDNKKIKKLLSR-ELKGP--QMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISL-MEDDEEYGMEFVSKILNHYKHK-DIPTVLEKYRMKEKYWSFEKIIYGKEYGYMD--------------------------------

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 : 1128 -32111 -28.47 -123.98 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -28.47 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.304

(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: