Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSADTQHFTGTDQYIATDSLKLAVKAARALQKPLLVKGEPGTGKTLLAEQVAESLGLKLITWHIKSTTKAQQGLYEYDAVSRLRDSQLGDDRVYDIKNYIKPGKLWEAFTSEERCVLLIDEIDKADIEFPNDLLHELDKMSFY-VYETGETITATQRPIVIITSNNEKELPDAFLRRCFFHYIEFPDEATMREIISVHFPNISVTLVNEALQVFFKLREIPNLKKPPSTSELIDWLSLLMADDMPEDVLRNRDTSKAIPPLYGALIKNEQDVQLLERLAFMSRR 5C3C Chain:A ((38-247)) ---------------------ELYRAGYEARIPMMLKGPTGCGKSRFVEHMAWKLNRPLITIACNEDMTASDLVGR-------------------------DGPLTVA--ARIGAICYLDEIVEARQDTIVVIHPLTDHRRVLPLEKKGELVEAHPDFQIVISYNP--DLKQSTKQRFGALDFDYPKPDIEAEIVSHEA-GVDKDTAEKLVQIAQKARN------GLSTRLLVYAGKLIAK-------------------------------------------

General information: TITO was launched using: RESULT: Template: 5C3C.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 : 867 -42817 -49.39 -233.97 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -49.39 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.601

(partial model without unconserved sides chains): PDB file : Tito_5C3C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5C3C-query.scw PDB file : Tito_Scwrl_5C3C.pdb: