Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRLSLDRRFLPYIKKAGGVLVKKQMGAYVSLAAAMAIVGSSVVVGKLMVERIPVFLSSGLRFLIASVVLLMLLFCIEKGFPALTKKDVFVLLVQSFTGVFLFSICLLYGVQYTTGTESGILTSTTPMLIGILSFFLLREKIEK--KTL------------IGILLAVCGVMAINLFGAGSQDGTPHALFGNMLIIAAVIGEALFTLMAKLLSPHISALAISTFVSLFGFLFFLPFALFEASSFDYSVPTVLDWSYVLYYALFVTVLAFYLWYSGVTKVPAGVSGIFTSVLPVSAVILSGVILKEPFEFVHFIGIACVIGGIFVTVIKKKQPDAYPAAEEKTL 1AVC Chain:A ((587-670)) ---------------------------------------------------------------------------------------RDVFVAIVQSVKNKPLFFADKLYKSMKGAGTEEKTLTRIMVSRSEIDLLNIRREFIEKYDKSLHQAIEGDTSGHFLKALLAICG-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1AVC.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 : 196 -26054 -132.93 -372.19 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.43 3D Compatibility (PKB) : -132.93 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.43 QMean score : 0.165

(partial model without unconserved sides chains): PDB file : Tito_1AVC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1AVC-query.scw PDB file : Tito_Scwrl_1AVC.pdb: