Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQPLSTAADIAQQDAVRQLCEQ-LEFFQQHPPLEIRPLAAGQSNLNYYLRTARGEYVLRRY-AR-QLGVCRQQEFRCQQAAAAKQIA-ATPLLLHNHQ-QLLISEFLPGG-EPLKL-TDSRLSLLADTLGILHNLRVQTPL-LQPASYLRQLLAQGQQITL-QPAANLFAALQRCAEQLAGMATDLVLCHLDLHADNLLWNG-NKIWLLDFEYSQLCDNSFDLAAIMLHFELTAAQQQRLLRQYSAQRRYPDRHTAERLAATLPQRLQLAKCLYSGFCWLWYQATPALH-----HRANSWQQRLQQLLQSETTEPFR 4R78 Chain:A ((18-301)) ---------GSHMEKIIKEKISSLLSQEEEVL--SVEQL-GGMTNQNYLAKTTNKQYIVKFFGKGTEKLINRQDEKYNLELLKDLGLDVKN--YLFDIEAGIKVNEYIESAITLDSTSIKTKFDKIAPILQTIHTSAKELRGEFAPFEEIKKYESLIEEQIPYANYESVRNAVFSLEKRLADLGVDRKSCHIDLVPENFIESPQGRLYLIDWEYSSMNDPMWDLAALFLESEFTSQEEETFLSHYESDQTP-----------VSHEKIAIYKILQDTIWSLWTVYKEEQGEDFGDYGVNRYQRAVKGLA---------

General information: TITO was launched using: RESULT: Template: 4R78.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 : 1264 -1989 -1.57 -7.39 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -1.57 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.430

(partial model without unconserved sides chains): PDB file : Tito_4R78.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4r78-query.scw PDB file : Tito_Scwrl_4R78.pdb: