Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVFVARQPIFNR-KEQVVAYELLYRES-EENVY--SA---K------DGDQATTDLVINSFLNIGIEKL-TEGKRCFVNFTESLMFSNLP----------TSFNPKQLVIEILEDI--PITPALISRCKELKKMGYMLALDDFYAINPQDEDLLEKLMSY-IDILKIDFLKTTRM--------ERRTILQTYGCRGLIFLAEKVETRKEYKQAVQDGFQLFQGYFFSEPRIISGHDLSTHFYSYYELLNELSKEQPNIKRVTEYIERDLSLSYQILKFLNSSHSRLSQKIESIQQAIMLLGFNEIKRWIYILSFKDLSRKGHSSKHEIIKISLIRAKLCELLARKTSRPQPASYMLIGMFSLIDTLLHREIEEIVQELPLKDEVGQALLGHQNDYYQMLELVKLIESNNWDTCSELGNQLDKEEAYECYLEALEWCHNLMDAK 3SY8 Chain:A ((155-383)) -EFEAYYQPKVALDGGGLIGAEVLARWNHPHLGVLPPSHFLYVMETYNLVDKLFWQLFSQGLATRRKLAQLGQPINLAFNVHPSQLGSRALAENISALLTEFHLPPSSVMFEITETGLISAPASSLENLVRLWIMGCGLAMDDFGA-GYSS---LDRLCEFPFSQIKLDRTFVQKMKTQPRSCAVISSVVALAQALGISLVVEGVESDEQRVRLIELGCSIAQGYLFARPMPEQ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3SY8.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 : 791 -49139 -62.12 -253.29 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -62.12 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.493

(partial model without unconserved sides chains): PDB file : Tito_3SY8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SY8-query.scw PDB file : Tito_Scwrl_3SY8.pdb: