Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIDTAMARLNEGTIVIYALSVLFYFIDFLQHNRKAGKMAFWLLSIVWTLQTVYLAYFMWVTGRFPVLNVTEALYFYAWVLVTLSLVLTKLLRVDFIVFFTNVIGFSMIAIHTFSPTEQQSAAFSGQLVSELLVIHITMAILSYGAFSLSFVFSVLYMFQYHLLKKKKWGKWLLRIEDLSKLDYMAYVLNVIGVPMLLLSLILGVIWAYVSLETLYW-F--DAKVLGSFVVLLLYSYYLYIRLIKELQGKVAALWNTACFLVLMINYFLLGSLSQFHWFS 2L5B Chain:A ((8-26)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YWPWLCAAAQVAALAAWLL----------------------------------------------

General information: TITO was launched using: RESULT: Template: 2L5B.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 : 6 -1593 -265.50 -99.56 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.34 3D Compatibility (PKB) : -265.50 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.34 QMean score : 0.255

(partial model without unconserved sides chains): PDB file : Tito_2L5B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2L5B-query.scw PDB file : Tito_Scwrl_2L5B.pdb: