Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQKQPYTPGEFQWSFLLPKYWGVWIAITFLMLLAILPWAIQWRLAHGLANLAWKYLKSRRKTTIRNLEVCFPEWSPEKVQQQAKQVFVDMMLGIFETLNAWYKPYWFKNRVTIEGLEHITNAQAQGKGVLLLGTHSTLLDAGGYVCAQYFEPDVVYRPQNNPLLDMLIYRCRGTIYKAQIDHDDMRGLIRHLKEGDAIWYSPDQDFGLKQGVMAPFFGVPAATVTAHRRLLKISKAVAVPLYFYRHGNVQNPKYHILIEPAVDNLPSEDEVDDATRVNKIIENQLRIAPTQYMWFHRRFKTRPEGYEEIY 2LEL Chain:A ((11-43)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DLQDGSKVHVFKDGKMGM-----ENKFGKSMNMPEGKV----------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2LEL.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 : 62 -1184 -19.09 -35.86 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.50 3D Compatibility (PKB) : -19.09 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.50 QMean score : 0.092

(partial model without unconserved sides chains): PDB file : Tito_2LEL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2LEL-query.scw PDB file : Tito_Scwrl_2LEL.pdb: