Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKIGNRPQTQISLLLQLFMAVMFLAGAAVFTYPFLADALSNYLDQRRIENYQKQLERDKEEKHEQQLAVHEKKNQTLAHTSVIPGMGQVKDPFEQAVRNVQNPGKEYYEQHMIGAIYIPKINVSLPLFDETNDLLLDRGATVLQGTSFPTGGESTHSVITAHSGIAEKKLFTDLEEMEQDDRFYLEVYGRMLAYEVVEKIVVLPTKTNTLAIREKQDLVTLITCTPYTVNTHRLLVTGRRVPFTEEVSSKIEQTKKYHLYRLLILLLGILLVLTLFGYWCYRKFKRQKQRKKNNR 3TBE Chain:B ((58-216)) ------------------------------------------------------------------------------------------LKDPYEQKQA-VVEYARMLEVKEQIGHVIIPRINQDIPIYAGSAEENLQRGVGHLEGTSLPVGGESTHAVLTAHRGLPTAKLFTNLDKVTVGDRFYIEHIGGKIAYQVDQIKVIAPDQLEDLYVIQGEDHVTLLTCTPYMINSHRLLVRGKRIPYVE--------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TBE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 846 -103415 -122.24 -662.91 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain B : 0.67 3D Compatibility (PKB) : -122.24 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_3TBE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TBE-query.scw PDB file : Tito_Scwrl_3TBE.pdb: