Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLIGKEVLPFEAKAFKNGEFIDVTNEDLKGQWSVFCFYPADFSFVCPTELEDLQEQYAALKELGVEVYSVSTDTHFVHKGWHDSSEKISKITYAMIGDPSQTISRNFDVLDEETGLADRGTFIIDPDGVIQTVEINAGGIGRDASNLVNKVKAAQYVRQNPGEVCPAKWEEGGETLTPSLDLVGKI 4XS4 Chain:B ((1-186)) -SLINTKIKPFKNQAFKNGEFIEVTEKDTEGRWSVFFFYPADFTFV-PTELGDVADHYEELQKLGVDVYSVSTDTHFTHKAWHSSSETIAKIKYAMIGDPTGALTRNFDNMREDEGLADRATFVVDPQGIIQAIEVTAEGIGRDASDLLRKIKAAQYVAAHPGEVSPAKWKEGEATLAPSLDLVGKI

General information: TITO was launched using: RESULT: Template: 4XS4.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 : 845 -77763 -92.03 -420.34 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.93 3D Compatibility (PKB) : -92.03 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.93 QMean score : 0.648

(partial model without unconserved sides chains): PDB file : Tito_4XS4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XS4-query.scw PDB file : Tito_Scwrl_4XS4.pdb: