Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQIYLARNNQQAGPYTLEQLNQMLASQQVLLTDLAWHEGMTEWKALGELTQGKLVYQPTGYSAFSANTNTPYNETIQHIRVETKTHELASISSRALAKIIDLLLWLPIAAIPSFFFNEAQYKQLFELQKQMQSAEVASTKAAELQQQLFTLIPIEAWHTMLLYVVIMLAIQAFLLTKFGQSIGKKIVGIRIVDAENNGKVNLTRIFLLRSVV--FIILNLLFMPISTII------DYAFALGQKRQALHDKIARTKVIK 4MSL Chain:A ((88-158)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------FIRTEFGMAIGPENSGKVVLTAEVSGGSRGGRIFRSSDFAKNFVQTDLPFHPLTQMMYSPQNSDYLLAL------------------

General information: TITO was launched using: RESULT: Template: 4MSL.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 : 200 -19029 -95.15 -311.95 target 2D structure prediction score : 0.15 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -95.15 2D Compatibility (Sec. Struct. Predict.) : 0.15 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.262

(partial model without unconserved sides chains): PDB file : Tito_4MSL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MSL-query.scw PDB file : Tito_Scwrl_4MSL.pdb: