Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRMKLNRVVVTGYGVTSPIGNTPEEFWNSLATGKIGIGGITKFDHSDFDVHNAAEIQDFPFDKYFVKKDTNRFDNYSLYALYAAQEAVNHANLDVEALNRDRFGVIVASGIGGIKEIEDQVLRLHEKGPKRVKPMTLPKALPNMASGNVAMRFGANGVCKSINTACSSSNDAIGDAFRSIKFGFQDVMLVGGTEASITPFAIAGFQALTALSTTEDPTRASIPFDKDRNGFVMGEGSGMLVLESLEHAEKRGATILAEVVGYGNTCDAYHMTSPHPEGQGAIKAIKLALEEAEISPEQVAYVNAHGTSTPANEKGESGAIVAVLGK---EVPVSSTKSFTGHLLGAAGAVEAIVTIEAMRHNFVPMTAGTSEVSDYIEANVVYGQGLEKEIPYAISNTFGFGGHNAVLAFKRWENR 4LS8 Chain:B ((13-426)) --QMTKKRVVVTGLGALSPLGNDVDTSWNNAINGVSGIGPITRVDAEEYPAKVAAELKDFNVEDYMDKKEARKMDRFTQYAVVAAKMAVEDADLNITDEIAPRVGVWVGSGIGGLETLESQFEIFLTKGPRRVSPFFVPMMIPDMATGQISIALGAKGVNSCTVTACATGTNSIGDAFKVIQRGDADVMVTGGTEAPLTRMSFAGFSANKALSTNPDPKTASRPFDKNRDGFVMGEGAGIIVLEELEHALARGAKIYGEIVGYGSTGDAYHITAPAQDGEGGARAMQEAIKDAGIAPEEIDYINAHGTSTYYNDKYETMAIKTVFGEHAHKLAVSSTKSMTGHLLGAAGGIEAIFSILAIKEGVIPPTINIQTPDEECDLDYVPDEARRQELNYVLSNSLGFGGHNATLIFKKYQS-

General information: TITO was launched using: RESULT: Template: 4LS8.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 : 2899 -129110 -44.54 -314.14 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -44.54 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.780

(partial model without unconserved sides chains): PDB file : Tito_4LS8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LS8-query.scw PDB file : Tito_Scwrl_4LS8.pdb: