Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAQLFVVATPIGHLDDMTFRAIDILKSVSVVAAEDTRQSAQLFKHYNISTPLTACHDHNESNKIEQLVQKLLAGENIALISDAGTPLISDPGFKLVRAAQEHGIRVVPVPGACAAIAALSAVGLPSDRFSFEGFLPSKASQRITQLEKLKNETQTLIFYEAPHRILECVKNMAEVFGENRPVGFAREITKTFETIKKMTLKDLVSFIENDHNQEKGEIVLVVGGAPEKTDQEQEKLDELLKRLLQDLSVKAASQLAADLTGIKKKVAYQRALELTQS 5HW4 Chain:A ((2-224)) --GQLYIVPTPIGNLADITQRALEVLQAVDLIAAEDTRHTGLLLQHFGINARLFALH---EQQKAETLLAKLQEGQNIALVSDAGTPLINDPGYHLVRTCREAGIRVVPLPGPCAAITALSAAGLPSDRFCYEGFLPAKSKGRRDALKAIEAEPRTLIFYESTHRLLDSLEDIVAVLGESRYVVLARELTKTWETIHGAPVGELLAWVKEDENRRKGEMVLIVEG-----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5HW4.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 : 1112 -155044 -139.43 -704.75 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -139.43 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.648

(partial model without unconserved sides chains): PDB file : Tito_5HW4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HW4-query.scw PDB file : Tito_Scwrl_5HW4.pdb: