Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQLVPLVELPSGKKIYSVRGQQFEVDRQYDLVKVVGFGACGTVCSAVANGSGERVAIKRLSRVFGDLREGKRILREMEIMTSLKHNNLIRLHHFMRPQSKETFEDIYLVMDLYDTDLNRIIRSRQKLTDEHLQYFMIQAFRGLHYLHSAKVMHRDLKPSNLLVNADCALAICDFGLAR--DDQVMSSSDLTQYVVTRWYRPPEVLGMGSNQYTSAVDVWSLGLIFAELMLGRTLLPGTDYIGQLVMIVNLLGSPSIDDME-FLSSEAKAFILSQPRRPALSFRDLFPMATEEATDLLSKLLVFHPARRLTAKQVMEHPYFSKYRDAAEEADAPDPFVWNHSHIE-TKEQLREDLWRVVEAHSQSNG 4QP8 Chain:A ((23-354)) ------------------VRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVRVAIKKISP-FEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKT-QHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVA-----------EYVATRWYRAPEIM-LNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKE--------------

General information: TITO was launched using: RESULT: Template: 4QP8.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 : 1530 -118891 -77.71 -375.05 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -77.71 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.552

(partial model without unconserved sides chains): PDB file : Tito_4QP8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QP8-query.scw PDB file : Tito_Scwrl_4QP8.pdb: