Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALFNSTSWAKYSVIAASLAGVMMLGGCAKKEEHTTTTLNIGYQKYGILPILKARGDLEKALKDQGVQVKWVEFPAGPQLLEGLNVGSVSLGEAGEAPPIFAQAANPNLVYVANQPAAPKAEALLVQKDSPIQSIKDLKGKRVALNKGSNVHYLLLKVLEANHLSLSDIQPVYLPPSDARAAFEKEAVDAWVIWDPFFAAAEHQIQARVLATGENLVSNHQFYLADRKFAENNPKVLNTVVQTLNQTTQWVSTHQDEAAKLLEKPTALEFDVLKTSISRMGFGVQPISDKVAQEQQYVADAFYAQKLIPNKLTIQEAILKLK 2O1M Chain:A ((110-147)) ----------------------------------------------------------------------------------------------------------------------------VLQNNDTIRGIEDLKGKRVITSATSNGALVLKKWNEDN----------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2O1M.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 49 -9146 -186.65 -240.68 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -186.65 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.780

(partial model without unconserved sides chains): PDB file : Tito_2O1M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2O1M-query.scw PDB file : Tito_Scwrl_2O1M.pdb: