Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAQLFVVATPIGHLDDMTFRAIDILKSVSVVAAEDTRQS-AQLFKHYNISTPLTACHDHNESNKIEQLVQKLLAGENIALISDAGTPLISDPGFKLVRAAQEHGIRVVPVPGACAAIAALSAVGLPSDRFSFEGFLPSKASQRITQLEKLKNETQTLIFYEAPHRILECVKNMAEVFGENRPVGFAREITKTFETIKKMTLKDLVSFIENDHNQEKGEIVLVVGGAPEKTDQEQEKLDELLKRLLQDLSVKAASQLAADLTGIKKKVAYQRALELTQS 5HW4 Chain:B ((1-227)) -MGQLYIVPTPIGNLADITQRALEVLQAVDLIAAED-TRHTGLLLQHFGINARLFALH-----QKAETLLAKLQEGQNIALVSDAGTPLINDPGYHLVRTCREAGIRVVPLPGPCAAITALSAAGLPSDRFCYEGFLPAKSKGRRDALKAIEAEPRTLIFYESTHRLLDSLEDIVAVLGESRYVVLARELTKTWETIHGAPVGELLAWVKEDENRRKGEMVLIVEGHKA--------------------------------------------------

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 B - contact count / total energy / energy per contact / energy per residue : 1132 -55730 -49.23 -252.17 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -49.23 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.673

(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: