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 3SG9 Chain:A ((29-256)) ---------GEGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKD-----------------------------------------

General information: TITO was launched using: RESULT: Template: 3SG9.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 : 872 -9515 -10.91 -44.25 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -10.91 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.398

(partial model without unconserved sides chains): PDB file : Tito_3SG9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3sg9-query.scw PDB file : Tito_Scwrl_3SG9.pdb: