Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRASTVTIKTEQDLEKLRVSGRLAAQVLEMIGEYVKPGVTTEYLDNICNDYIVNTLKVIPANVGYHGFTKTICISVNEVVCHGIPSQNKILKDGDIINIDVAIIKDGYFGDTSRMYYVGNVNPHAKKLVETTYEAMVAGIHAVKPGATLGDIGYAIQSVAHREGYSIVREYCGHGIGKVYHEQPNILHYGQRGQGLVLKKGMVFTIEPMVNAGKPQVKELNDGWTVITQDHSLSAQWEHMVAVTDTGFELLTPWPEGVGNYPEI 2GU5 Chain:B ((3-248)) ------SIKTPEDIEKMRVAGRLAAEVLEMIEPYVKPGVSTGELDRICNDYIVNEQHAVSACLGYHGYPKSVCISINEVVCHGIPDDAKLLKDGDIVNIDVTVIKDGFHGDTSKMFIVGKPTIMGERLCRITQESLYLALRMVKPGINLREIGAAIQKFVEAEGFSVVREYCGHGIGRGFHEEPQVLHYDSRETNVVLKPGMTFTIEPMVNAGKKEIRTMKDGWTVKTKDRSLSAQYEHTIVVTDNGCEILT------------

General information: TITO was launched using: RESULT: Template: 2GU5.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1459 -153094 -104.93 -622.33 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.87 3D Compatibility (PKB) : -104.93 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.591

(partial model without unconserved sides chains): PDB file : Tito_2GU5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GU5-query.scw PDB file : Tito_Scwrl_2GU5.pdb: