Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------MKNKRIFKDFQASKMSLNIYTSPLLAFVFV-------------------FIGEFVAFTLYGIGLLALIGLARNFGEA---------GQNLATYLQTLHQSLTDKTSDFRLILG---------------LLAFGFILNTVFRWTRKVEKRPIRTLGFYRENFLSNLLKGFSLGLALFLLTLLGLVVLGQYRLESIHLNPYS----------------LAFVVFTIPFWILQGTAEEVVARAWLLPQLA-SRTNLKLA--------ILISSLFFTLLHMGNSGLTPLSLVNLFLFGVAMALYLLKTDTVWGVAGIHGAWNFAQGNLFGILVSGQPSGTSLMTFLPQGNQDWLSGGSF----------------------------GIEGSIMTSLVLLLLIVYLANKLKKENERM-------- 3QNQ Chain:A ((3-434)) RFLEKYVMPVAGKVAEQRHLLAIRDGLVLTMPFLIIGSIFLIISTLPIPGYSEFMASLFGKNWNVALGYPVSATFNIMALIAVFGIAYRLGEYYKVDALASGALSLVTFLLATPFQVAYIMPGTKESILVDGVIPAALMGSQGLFVAMIIAIISTEIYRFLVQKKMIIKMPETVPPAVTRSFAALIPGFIVVTVVWIIRLIFEHTTFGSIHNVVGKLLQEPLSILGASLWGAVIAVILVHVLWACGIHGATIVGGVMSPIWLSLMDQNRIAFQAGQDVPNTITAQFFDLWIYMGGSGATLALVVGMLLFARSQQLKSLGR-----LSIAPGIFNINEMVTFGMPIVMNPLLLIPFIVVPVVLTIVSYFAMEWGLVARPSGAAVTWTTPILFSGYLGSGGKISGVILQLVNFALAFVIYLPFLKIWDKQKIAEEKGEA

General information: TITO was launched using: RESULT: Template: 3QNQ.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 : 1266 -157543 -124.44 -504.94 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -124.44 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.235

(partial model without unconserved sides chains): PDB file : Tito_3QNQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QNQ-query.scw PDB file : Tito_Scwrl_3QNQ.pdb: