Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTAQIELDELSVGADYEKVANRFRPIFEKIAQGAIQREKERILPFEPIQWLKEAKLGAVRIPRKYGGDGVS-LPQLFQLLAELAEADSNI-----VQALRGHFAFVEDRLVAHKEHSQEVWFQRFVQGDLVGNAWTEVGNVQIGDVVTRVTKDASGNLVVNGEKYYSTGSIFADWIDLFAYDEVNDRHVIAAI---YRHETGVSVIDDWDGFGQKTTGSGTLKVHQVHLPASHLI---PFDQRFKYQTAFYQVVHLATLTGIARAAVETFSQEIRERKRIFSHGNGDLVRHAPQVLQVVGKASAQAYASEVITLKTAEALQKAYESHFAES-EVKEHQFNVDAELESAQGQVVISNLVLDLTSQLFNALGASASSQVKQLDRFWRNARTVSSHNPLIYKEKVIGDWEVNRTDLPFVWQIGASPRAKSA 3MXL Chain:A ((23-384)) --------------------------VIPRISAEAADRDRTGTFPVEAFEQFAKLGLMGATVPAELGGLGLTRLYDVATALMRLAEADASTALAWHVQLSRGLTLTYEWQ---HGTPPVRAMAERLLRAMAEGEAAVCGALKDAPGVVTELHSDGAGGWLLSGRKVLVSMAPIATHFFVHAQRRDDDGSVFLAVPVVHRDAPGLTVLDNWDGLGMRASGTLEVVFDRCPVRADELLERGPVGARRDAVLAG-QTVSSITMLGI----YAGIAQAARDIAVGFCAGRGGEPRAGARAL--VAGLDTRLYA---LRTTVGAALTNADAASVDLSGDPDERGRRMMTPFQYA--KMTVNELAPAVVDDCLSLVGGLAYTAGHPLSRLYRDVRAGGFMQPYSYVDAV--------------------------

General information: TITO was launched using: RESULT: Template: 3MXL.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 : 1818 20142 11.08 57.71 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 11.08 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.340

(partial model without unconserved sides chains): PDB file : Tito_3MXL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MXL-query.scw PDB file : Tito_Scwrl_3MXL.pdb: