Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVQKRNHFLPYSLPLIGKEEIQEVTETLESGW-LSKGPKVQQFEKEFAAFVGAKHAVAVNSCTAALFLALKAKGIGPGDEVITSPLTFSSTANTIIHTGATPVFADIDENTLNIDPVKLEAAVTPRTKAVVPVHFGGQSCDMDAILAVAQNHGLFVLEDAAHAVYTTYKQRMIGSIGDATAFSFYATKNLATGEGGMLTTDDEELADKIRVLSLHGMSKAAWNRYSSNGSWYYEVESPGYKMNMFDLQAALGLHQLKRLDDMQKRREEIAGRYQTAFQQIPGLITPFVH--DDGRHAWHLYVLQVDEKKAGVTRSEMITALKDEYNIGTSVHFIPVHIHPYYQKQFGYKEADFPNAMNYYKRTLSLPLYPSMSDDDVDDVIEAVRDIVKGAD 3DR4 Chain:A ((28-390)) ---------SVAAPRLDGNERDYVLECMDTTWISSVGRFIVEFEKAFADYCGVKHAIACNNGTTALHLALVAMGIGPGDEVIVPSLTYIASANSVTYCGATPVLVDNDPRTFNLDAAKLEALITPRTKAIMPVHLYGQICDMDPILEVARRHNLLVIEDAAEAVGATYRGKKSGSLGDCATFSFFGNAIITTGEGGMITTNDDDLAAKMRLLRGQGMDPNR----------RYWFPIVGFNYRMTNIQAAIGLAQLERVDEHLAARERVVGWYEQKLARL-GNRVTKPHVALTGRHVFWMYTVRLGEG-LSTTRDQVIKDLDAL-GIESRPVFHPMHIMPPYA---HLATDDLKIAEACGVDGLNLPTHAGLTEADIDRVIAALDQVL----

General information: TITO was launched using: RESULT: Template: 3DR4.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 : 2184 -73592 -33.70 -204.42 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -33.70 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.556

(partial model without unconserved sides chains): PDB file : Tito_3DR4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DR4-query.scw PDB file : Tito_Scwrl_3DR4.pdb: