Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYIMKQSGWLELICGSMFSGKSEELIRRVKRATYAKQEVRVFKPVIDNRYSEAAVVSHNGTSMTSYA----ISSAADIWDHISESTDVVAVDEVQFFDQEIVEVLSSLADKGYRVIAAGLDMDFRGEPFGVVPNIMAIAESVTKLQAVCSVCG-SPASRTQRLIDGKPASYDDPVILVGAAESYEARCRHHHEVPGKSKK 4UXJ Chain:E ((12-182)) -------GRIELIIGPMFAGKTTELMRRVKREIHARRSCFVIKYSKDTRYDEHNVAS-------AQAAVSQLTEVRDTWKRF----DVLAIDEGQFF-SDLVDFCNTAADAGKVVMVSALDGDYRRKPFGQICELVPYCEAVDKLTAVCMMCHEQPACFTRRTVNVEQQE------LIGGADMYIATCR-----------

General information: TITO was launched using: RESULT: Template: 4UXJ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 755 -14329 -18.98 -90.12 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain E : 0.77 3D Compatibility (PKB) : -18.98 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.411

(partial model without unconserved sides chains): PDB file : Tito_4UXJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UXJ-query.scw PDB file : Tito_Scwrl_4UXJ.pdb: