Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKKTMGIHHITAIVGHPQENTDFYAGVLGLRLVKQTVNFDDPGTYHLYFGNEGGKPGTIITFFPWAGARQGVIGDGQVGVTSYVVP-KGAMAFWEKRLEKFNVPYTK-IE---RFGEQYVEFDDPHGLHLEIVEREEGEANTWTF--------GEVTPDVAIKGFGGATLLSEQPDKTADLLENIMGLERVGKEG------DFVRYRSAGDIGNVIDLKLTPIGRGQMGAGTVHHIAWRANDDEDQLDWQRYIASHGYGVT-PVRDR--NYFNAIYFREHGEILFEIATDPPGFAHDET-----QETMGEKLMLPVQYEPHRTQIEQGLLPFEVRELD 1MPY Chain:A ((1-293)) MNKGVMRPGHVQLRVLDMSKALEHYVELLGLIEMDRDDQ------GRVYLKAWTEVDKFSLVLRE--------ADEPGMDFMGFKVVDEDALRQLERDLMAYGCAVEQLPAGELNSCGRRVRFQAPSGHHFELYADKEYTG-KWGLNDVNPEAWPRDLKGMAAVRFDHALMYGDELPATYDLFTKVLGFYLAEQVLDENGTRVAQFLSLST-KAHDVAFIH------HPEKGRLHHVSFHLETWEDLLRAADLISMTDTSIDIGPTRHGLTHGKTIYFFDPSGNRNEVFCGGDYNYPDHKPVTWTTDQLGKAIFY------------------------

General information: TITO was launched using: RESULT: Template: 1MPY.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 : 1517 -120991 -79.76 -454.85 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -79.76 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.402

(partial model without unconserved sides chains): PDB file : Tito_1MPY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1MPY-query.scw PDB file : Tito_Scwrl_1MPY.pdb: