Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNITDIREQFPILHQQVNGHDLVYLDSAATSQKPRAVIETLDKYYNQYNSNVHRGVHTLGTRATDGYEGAREKVRKFINAKSMAEIIFTKGTTTSLNMVALSYARANLKPGDEVVITYMEHHANIIPWQQAVKATGATLKYIPLQEDGTISLEDVRETVTSNTKIVAVSHVSNVLGTVNPIKEMAKIAHDNGAVIVVDGAQSTPHMKIDVQDLDCDFFALSSHKMCGPTGVGVLYGKKALLENMEPAEFGGEMIDFVGLYESTWKELPWKFEAGTPIIAGAIGLGAAIDFLEEIGLDEISRHEHKLAAYALERFRQLDGVTVYGPEERAGLVTFNLDDVHPHDVATVLDAEGIAVRAGHHCAQPLMKWLDVTATARASFYLYNTEEEIDKLVEALQKTKEYFTNVF 4W91 Chain:I ((20-421)) -DVEAIRRDFPILSRQVHGKTLVYLDNGASAQKPQSVIDAVTHAYANEYANVH---HFLSNAATDAYEKSRETVRRFLNAGSVDEIVFTKNATEAINTVAYGYGMPFIGEGDEILLSIMEHHSNIVPWHFIRERQGAKLVFTPVDDNGVFHIEEFEKRLSERTKLVAITHMSNTLGTVVPIKKIVELAHARGIPVLVDGSQGAVHLPVDVQDLGCDWYVFTGH-VYGPSGIGVLYGRAQMLEKMRPFQGGGEMIEEVTEENVTYNHPPHRFEAGTPPIVQAIGLGAALEYMEKIGRHAILAHEADLRDYAHERLGRINSLRIFG--DKGAIISFALEGIHAHDVSMVIDRAGVAVRAGTHCAQPLLKRFGVTSTCRASFALYNTRAEVDALAEALEKARKFF----

General information: TITO was launched using: RESULT: Template: 4W91.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain I - contact count / total energy / energy per contact / energy per residue : 2333 -168371 -72.17 -426.26 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain I : 0.87 3D Compatibility (PKB) : -72.17 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.464

(partial model without unconserved sides chains): PDB file : Tito_4W91.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4W91-query.scw PDB file : Tito_Scwrl_4W91.pdb: