Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRLKIAKESLLNVLSHVVGAVERRHTLNILSNVKIQTNAQALTITGSDLEVELVASTALSEGACLEAGETTVPARKLMEICKSLPTAALIDLQITEDQRCILKSGNSRFVLGTLPAEDYPLLTTENSQGTQVQVTQRELKRLFEKTAFAMAVQDVRFYLTGTLLEIDENQLRAVTTDGHRLALCEILASSTSSQLVQAIVPRKAVGELQRLLSIEDEQLTLLIGRELLNVTINTPSRDKEQGDITVRFTTKLIDGKFPDYRRVIPRGGDKHVLIGHDVFKQSLQRVAILSNEKLRGVFLNFNQDSLQLRANNPEQDEAIEDLAIQYQNAPLEMSFNAQYLLDVLGVLDGDDVNMSMTEANQSVLVQDPAHPDQTYVVMPMRV 4K3L Chain:B ((1-366)) MKFTVEREHLLKPLQQVSG-------LPILGNLLLQVADGTLSLTGTDLEMEMVARVAL--VQPHEPGATTVPARKFFDICRGLPEGAEIAVQLEGER-MLVRSGRSRFSLSTLPAADFPNLDDWQ-SEVEFTLPQATMKRLIEATQFSMAHQDVRYYLNGMLFETEGEELRTVATDGHRLAVCSMPIGQ-SLPSHSVIVPRKGVIELMRMLDGGDNPLRVQIGSNNIRAHVG-----------DFIFTSKLVDGRFPDYRRVLPKNPDKHLEAGCDLLKQAFARAAILSNEKFRGVRLYVSENQLKITANNPEQEEAEEILDVTYSGAEMEIGFNVSYVLDVLNALKCENVRMMLTDSVSSVQIEDAASQSAAYVVMPMRL

General information: TITO was launched using: RESULT: Template: 4K3L.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 : 1952 -247336 -126.71 -688.96 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -126.71 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.468

(partial model without unconserved sides chains): PDB file : Tito_4K3L.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4K3L-query.scw PDB file : Tito_Scwrl_4K3L.pdb: