Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSADTQHFTGTDQYIATDSLKLAVKAARALQKPLLVKGEPGTGKTLLAEQVAESLGLKLITWHIKSTTKAQQGLYEYDAVSRLRDSQLGDDRVYDIKNYIKPGKLWEAFTSEERCVLLIDEIDKADIEFPNDLLHELDKMSFY-VYETGETITATQRPIVIITSNNEKELPDAFLRRCFFHYIEFPDEATMREIISVHFPNISVTLVNEALQVFFKLREI--PNLKKPPSTSELIDWLSLLMADDMPEDVLRNRDTSKAIPPLYGALIKNEQDVQLLERLAFMSRR 5C3C Chain:B ((38-247)) ---------------------ELYRAGYEARIPMMLKGPTGCGKSRFVEHMAWKLNRPLITIACNEDMTASDLV---------------------------DGPLTVA--ARIGAICYLDEIVEARQDTIVVIHPLTDHRRVLPLEKKGELVEAHPDFQIVISYN---DLKQSTKQRFGALDFDYPKPDIEAEIVSHEA-GVDKDTAEKLVQIAQKARNLKGHGLDEGLSTRLLVYAGKLIAK-------------------------------------------

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 B - contact count / total energy / energy per contact / energy per residue : 813 -59612 -73.32 -320.49 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -73.32 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.606

(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: