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:E ((14-290)) -----------------------------------NKFLNIAHRGASGHAPEHTFASYDLVKKMKADYLELDIQLTKDGQLIAMHDTAVDRTTNGTGEVRDKTLSEIKSLDAGSWFNKAYPEKAKQEYVGQKVPTLEEIFQKYGRSMKYYIETKSPDVYPGMEEKLLALLEKYNLIG-----SRVMIQSFSKDSLKKIHSINKNIPLVQLLWYYPNENNEIVEWSGITHEPKRVTNDDFQEIKKYAVGIGPNLRNDNGDLIINESYMKMARQNGLLIHPYTINEKPDMRLLMKWGATGMFTNYPDRLHTVLK--

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 E - contact count / total energy / energy per contact / energy per residue : 1353 -113730 -84.06 -453.11 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain E : 0.81 3D Compatibility (PKB) : -84.06 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.583

(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: