Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYIMKQSGWLELICGSMFSGKSEELIRRVKRATYAKQEVRVFKPVIDNRYSEAAVVSHNGTSMTSYA----ISSAADIWDHISESTDVVAVDEVQFFDQEIVEVLSSLADKGYRVIAAGLDMDFRGEPFGVVPNIMAIAESVTKLQAVCSVCG-SPASRTQRLIDGKPASYDDPVILVGAAESYEARCRHHHEVPGKSKK 4UXH Chain:B ((5-175)) -------GRIELIIGPMFAGKTTELMRRVKREIHARRSCFVIKYSKD---------------LRAQAAVSQLTEVRDTWKRF----DVLAIDEGQFF-SDLVDFCNTAADAGKVVMVSALDGDYRRKPFGQICELVPYCEAVDKLTAVCMMCHEQPACFTRRTVNVEQQE------LIGGADMYIATCR-----------

General information: TITO was launched using: RESULT: Template: 4UXH.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 : 745 -16008 -21.49 -106.01 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -21.49 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.367

(partial model without unconserved sides chains): PDB file : Tito_4UXH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UXH-query.scw PDB file : Tito_Scwrl_4UXH.pdb: