Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRLKIAKESLLNVLSHVVGAVERRHTLNILSNVKIQTNAQALTITGSDLEVELVASTALSEGACLEAGETTVPARKLMEICKSLPTAALIDLQITEDQRCILKSGNSRFVLGTLPAEDYPLLTTENSQGTQVQVTQRELKRLFEKTAFAMAVQDVRFYLTGTLLEIDENQLRAVTTDGHRLALCEI-LASSTSSQLVQAIVPRKAVGELQRLLSIEDEQLTLLIGRELLNVTINTPSRDKEQGDITVRFTTKLIDGKFPDYRRVIPRGGDKHVLIGHDVFKQSLQRVAILSNEKLRGVFLNFNQDSLQLRANNPEQDEAIEDLAIQYQNAPLEMSFNAQYLLDVLGVLDGDDVNMSMTEANQSVLVQDPAHPDQTYVVMPMRV 4K3K Chain:B ((1-366)) MKFTVEREHLLKPLQQVSGPLGGRPTLPILGNLLLQVADGTLSLTGTDLEMEMVARVALVQPH--EPGATTVPARKFFDICRGLPEGAEIAVQL-EGERMLVRSGRSRFSLSTLPAADFPNLDDWQSE-VEFTLPQATMKRLIEATQFSMAHQDVRYYLNGMLFETEGEELRTVATDGHRLAVCSMPIGQSLPSHSV--IVPRKGVIELMRMLDGGDNPLRVQIGSNNIRAHV---------GDFI--FTSKLVDGRFPDYRRVLPKNPDKHLEAGCDLLKQAFARAAILSNEKFRGVRLYVSENQLKITANNPEQEEAEEILDVTYSGAEMEIGFNVSYVLDVLNALKCENVRMMLTDSVSSVQIEDAASQSAAYVVMPMRL

General information: TITO was launched using: RESULT: Template: 4K3K.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 : 1991 -96846 -48.64 -265.33 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -48.64 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_4K3K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4K3K-query.scw PDB file : Tito_Scwrl_4K3K.pdb: