Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKNRILALFVLSLGLLSFMVTPVSAASKGNLLSPDRILTVAHRGASGYVPEHTILSYETAQKMKADFIELDLQMTKDGKLIVMHDEKLDRTTNGMGWVKDHTLADIKKLDAGSWFNEAYPEKAKPQYVGLKVPTLEEVLDRFGKHANYYIETKSPDTYPGMEEKLIASLQKHKLLGKHSKPGQVIIQSFSKESLVKVHQLQPNLPTVQLL-----EAKQMAS----------MTDAALEEIKTYAVGAGPDYKA------LNQENVRMIRSHGLLLHPYTVNNEADMHRLLDWGVTGVFTNYPDLFHKVKKGY 4R7O Chain:F ((15-290)) ------------------------------------KFLNIAHRGASGHAPEHTFASYDLVKKMKADYLELDIQLTKDGQLIAMHDTAVDRTTNGTGEVRDKTLSEIKSLDAGSWFNKAYPEKAKQEYVGQKVPTLEEIFQKYGRSMKYYIETKSPDVYPGMEEKLLALLEKYNLI-------RVMIQSFSKDSLKKIHSINKNIPLVQLLWYYPNENNEIVEWSGITHEPKRVTNDDFQEIKKYAVGIGPNLRNDNGDLIINESYMKMARQNGLLIHPYTINEKPDMRLLMKWGATGMFTNYPDRLHTVLK--

General information: TITO was launched using: RESULT: Template: 4R7O.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 1339 -118714 -88.66 -478.68 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain F : 0.81 3D Compatibility (PKB) : -88.66 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.575

(partial model without unconserved sides chains): PDB file : Tito_4R7O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R7O-query.scw PDB file : Tito_Scwrl_4R7O.pdb: