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:G ((14-290)) -----------------------------------NKFLNIAHRGASGHAPEHTFASYDLVKKMKADYLELDIQLTKDGQLIAMHDTAVDRTTNGTGEVRDKTLSEIKSLDAGSWFNKAYPEKAKQEYVGQKVPTLEEIFQKYGRSMKYYIETKSPDVYPGMEEKLLALLEKYNLI-------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 G - contact count / total energy / energy per contact / energy per residue : 1340 -117278 -87.52 -470.99 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain G : 0.81 3D Compatibility (PKB) : -87.52 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.564

(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: