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

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 C - contact count / total energy / energy per contact / energy per residue : 856 -83596 -97.66 -449.44 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain C : 0.93 3D Compatibility (PKB) : -97.66 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.93 QMean score : 0.653

(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: