Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDIISRKYINEGFNSKAYIINDDYILLDGVNQNSYKNYQKYVNVINQISNVKSLEIPRIIELIEPCEEYPNGALIYKMIKGHTFRKEHIEIV---NLDNIAKKLAEFMDELYEIRVDFDKDEYIKNELEITEQSVIELKEYLSE----SNYEKILSWFNEYKNYLLTFNDYH-FIHGDLWYENYILN-DNNELVGIVDFEGSGMGDPAYDIAALY----YLGTGFINKVLSYYKYTDEDLIKRVSMLIKAREIADFDDMVKNYPEEVEEQVDKIKKVL 5C4K Chain:A ((49-276)) ---------GKGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKD-----------------------------------------

General information: TITO was launched using: RESULT: Template: 5C4K.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 : 850 -11111 -13.07 -51.68 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -13.07 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.380

(partial model without unconserved sides chains): PDB file : Tito_5C4K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5c4k-query.scw PDB file : Tito_Scwrl_5C4K.pdb: