Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYIMKQSGWLELICGSMFSGKSEELIRRVKRATYAKQEVRVFKPVIDNRYSEAAVVSHNGTSMTSYAISSAADIWDHISESTDVVAVDEVQFFDQEIVEVLSSLADKGYRVIAAGLDMDFRGEPFGVVPNIMAIAESVTKLQAVCSVCGSPASRTQRLIDGKPASYDDPVILVGAAESYEARCRHHHEVPGKSKK 1XBT Chain:D ((18-186)) ------RGQIQVILGPMFSGKSTELMRRVRRFQIAQYKCLVIKYAKDTRYS-------------ALPACLLRDVAQE-ALGVAVIGIDEGQFFP-DIVEFCEAMANAGKTVIVAALDGTFQRKPFGAILNLVPLAESVVKLTAVCMECFREAAYTKRL------GTEKEVEVIGGADKYHSVCR-----------

General information: TITO was launched using: RESULT: Template: 1XBT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 815 -107559 -131.97 -685.09 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain D : 0.77 3D Compatibility (PKB) : -131.97 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.431

(partial model without unconserved sides chains): PDB file : Tito_1XBT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XBT-query.scw PDB file : Tito_Scwrl_1XBT.pdb: