Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEIKLGKKISEGKTVDVYESGD-LAVKVFKPDAPKTVVFYEAFMDSKVEE-TGLNVPKIKEVELID---GKWAIATELIKGKTLAQIMQE--EPENCDGYLDDMVELQLSIHAKKVTGIS-----KLKDKLREEIESLD-----VIDHIKRYDLLTR-------LDSTPKHVKLCHGNFGPENIVVTD--DNKVYIVDWIGASAGNASADVAKTYLKLALTSTETAEKYLNLFCKKTNTAK-TYVQEWLPIMAASTLAKGVTSKEEKDLLFTWLDVVDYS 3N4U Chain:A ((23-278)) ----NTIEISGEGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIPTVLEKYRMKEKYWSFEKIIY---------------------

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 : 957 27325 28.55 119.32 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 28.55 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.345

(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: