Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSADTQHFTGTDQYIATDSLKLAVKAARALQKPLLVKGEPGTGKTLLAEQVAESLGLKLITWHIKSTTKAQQGLYEYDAVSRLRDSQLGDDRVYDIKNYIKPGKLWEAFTSEERCVLLIDEIDKADIEFPNDLLHEL--DKMSFYVYETGETITATQRPIVIITSNNEKELPDAFLRRCFFHYIEFPDEATMREIISVHFPNISVTLVNEALQVFFKLREI--PNLKKPPSTSELIDWLSLLMADDMPEDVLRNRDTSKAIPPLYGALIKNEQDVQLLERLAFMSRR 5C3C Chain:B ((26-281)) ---------KEPYYRAVQDEIELYRAGYEARIPMMLKGPTGCGKSRFVEHMAWKLNRPLITIAC-NEDMTASDLVDGPLTVAARIG----------------------------AICYLDEIVEARQDTIV-VIHPLTDHRRVLPLEKKGELVEAHPDFQIVISYND---LKQSTKQRFGALDFDYPKPDIEAEIVSHEA-GVDKDTAEKLVQIAQKARNLKGHGLDEGLSTRLLVYAGKLIAKGVDARAACTMT--------LVNPITDDVDMRDALDTVVKTFF-

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 : 1108 -65886 -59.46 -285.22 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -59.46 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.597

(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: