Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYSLMSVTEKETSNSLYRQWQILSRLPTGKWIGTRELQEMLEREGIEISLRTIQRDLNQIAQRFPIESNKAVPQGWRWQSDAPIQSLPHMTSSQAVTFMMVEEHLKRLLPPSLLDEMGPWFDLAKRSLSTQNNVRQWINRVRIVPASQPLIPPVVDRAAQQAIYEGLLQDKQIECVYRARVNQGEDKTYILNPLALVQKGAVIYLICTRHDKTEVQTFALHRFKSAKVLESRALHPVNFDIDHYIDSGALGFRVDYNQPTESIQLTLTMTEQTAKTFYESQLSKDQTITPIEENIVEVTATVPFTSQLVWWLRSFGKKLLHIEPVQVHNAVREIEPDSK 3LAJ Chain:A ((15-71)) -----------AANRAGRQARIVAILSSAQVRSQNELAALLAAEGIEVTQATLSRDLEELG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3LAJ.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 : 134 -18722 -139.72 -374.44 target 2D structure prediction score : 0.84 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -139.72 2D Compatibility (Sec. Struct. Predict.) : 0.84 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.610

(partial model without unconserved sides chains): PDB file : Tito_3LAJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LAJ-query.scw PDB file : Tito_Scwrl_3LAJ.pdb: