Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLRIGSHVSMSGKHMLLAASQEAVSYGANTFMIYTGAPQNTRRKKIEDLNIEAGRAHMQENGIDEIIVHAPYIINIGNTTNPSTFELGVDFLRSEIERTAAIG-AKQIVLHPGAHVGAGAEAGIKKIIEGLNEVIDPNQNVQIALETMAGKGSECGRSFEELAQIIEGVTHNEQLSVCFDTCHTHDAGYNIVEDFDGVLNEFDKIIGIDRIKVLHINDSKNVKGARKDRHENIGFGEIGFDALQYVVHHEQLKDIPKILETPYVGEDKKNKKPPYRFEIEMLKEKQFDDTLLEKILQQ 1XP3 Chain:A ((11-307)) -LKIGSHVSMSGKKMLLAASEEAVSYGATTFMIYTGAPQNTRRKPIEELNIEAGRKHMEQNGIEEIIIHAPYIINVGNTTKPETFQLGVDFLRMEIERTSALGVAKQIVLHPGAHVGAGADAGIQQIIKGLNEVLTPDQTVNIALETMAGKGTECGRSFEEIAKIIDGVKYNEKLSVCFDTCHTHDAGYDIVNNFDGVLNEFDKIVGIDRLQVLHINDSKNVRGAGKDRHENIGFGHIGYKALHHIVHHPQLTHVPKILETPYVGEDKKDKKPPYKLEIEMLKNGTFDEGLLEKIKAQ

General information: TITO was launched using: RESULT: Template: 1XP3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1716 -30363 -17.69 -102.58 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.96 3D Compatibility (PKB) : -17.69 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.96 QMean score : 0.615

(partial model without unconserved sides chains): PDB file : Tito_1XP3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XP3-query.scw PDB file : Tito_Scwrl_1XP3.pdb: