Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRIILLGPPGAGKGTQAQLICKRYNIPQISTGDMLRAAIREGTELGLKAKSVMESGGLVSDELIIGLVKERIAQPDCVNGCIFDGFPRTIPQAEALEK----EGISIDHVIEIDVPDEEIVKRLSGRRQHPASGRVYHVVYNPPKVEGKDDETGEDLVQRPDDQEETIRKRLASYHTETEQLVGFYQGRAASGENAPTYDKLDGLRTIEDVQKDLFNILDK 1S3G Chain:A ((1-212)) MNIVLMGLPGAGKGTQADRIVEKYGTPHISTGDMFRAAIQEGTELGVKAKSFMDQGALVPDEVTIGIVRERLSKSDCDNGFLLDGFPRTVPQAEALDQLLADMGRKIEHVLNIQVEKEELIARLTGRRICKVCGTSYHLLFNPPQVEGKCDKDGGELYQRADDNPDTVTNRLEVNMNQTAPLLAFYDSKE-------VLVNINGQKDIKDVFKDLDVIL--

General information: TITO was launched using: RESULT: Template: 1S3G.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 : 936 -36263 -38.74 -174.34 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -38.74 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.523

(partial model without unconserved sides chains): PDB file : Tito_1S3G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1S3G-query.scw PDB file : Tito_Scwrl_1S3G.pdb: