Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDIISRKYINEGFNSKAYIINDDYILLDGVNQNSYKNYQKYVNVINQISNVKSLEIPRIIELIEPCEEYPNGALIYKMIKGHTFRKEHIEIV---NLDNIAKKLAEFMDELYEIRVDFDKDEYIKNELEITEQSVIELKEYLSE----SNYEKILSWFNEYKNYLLTFNDYH-FIHGDLWYENYILN-DNNELVGIVDFEGSGMGDPAYDIAALYYL----GTGFINKVLSYYKYTDEDLIKRVSMLIKAREIADFDDMVKNYPEEVEEQVDKIKKVL 4DE4 Chain:A ((50-277)) ---------GEGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKD-----------------------------------------

General information: TITO was launched using: RESULT: Template: 4DE4.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 : 868 -10441 -12.03 -48.56 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -12.03 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.382

(partial model without unconserved sides chains): PDB file : Tito_4DE4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4de4-query.scw PDB file : Tito_Scwrl_4DE4.pdb: