Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQLSTIIEQAFEDCANFTAADCPSEIRQAVEEAIAGLDNGTLRVAEKINGEWVVHQWLKKAVLLSFKLNDNKPIESCDLRFYDKVETKFSGWTEEQFKAAGVRVVPPAVARRGSFQAKNVVLMPSYVNIGAYVDEGTMVDTWATVGSCAQIGKNVHLSGGVGIGGVLEPLQANPTIIEDNCFIGARSEIVEGVIVEEGSVISMGVYIGQSTRIYDRETGEIHYGRVPAGSVVVPGNLPSAD-GKYSLYAAIIVKKVDAQTRAKTSLNDLLRAD 3GOS Chain:B ((3-274)) MQQLQNVIETAFERRADITPANVDTVTREAITHVIDLLDTGALRVAEKIDGQWVTHQWLKKAVLLSFRINDNQVMEGAETRYYDKVPMKFAGYDEARFQREGFRVVPPATVRKGAFIARNTVLMPSYVNIGAFVDEGTMVDTWATVGSCAQIGKNVHLSGGVGIGGVLEPLQANPTIIEDNCFVGARSEVVEGVIVEEGSVISMGVFIGQSTRIYDRETGEVHYGRVPAGSVVVSG-NLPSKDGSYSLYCAVIVKKVDAKTRSKVGINELLRT-

General information: TITO was launched using: RESULT: Template: 3GOS.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 : 1458 -188468 -129.26 -695.45 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.94 3D Compatibility (PKB) : -129.26 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.94 QMean score : 0.631

(partial model without unconserved sides chains): PDB file : Tito_3GOS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GOS-query.scw PDB file : Tito_Scwrl_3GOS.pdb: