Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVFDVWKSLKKGEVHPVYCLYGKETYLLQETVSRIRQTVVDQETKDFNLSVFDLE---EDPLDQAIADAETFPFMGERRLVIVKNPYFLTGEKKKEKIEHNVSALESYIQSPAPYTVFVLLAPYEKLDERKKLTKALKKHAFMMEAKELNAKETTDFTVNLAKT-------EQKTIGTEAAEHLVLLVNGHLSSIFQEIQKLCTFIGDR----EEITLDDVKMLVARS---LEQNIFELINKIVN----RKRTESLQIFYDLLKQNEEPIKIMALISNQFRLILQTKYFAEQGYGQKQIASNLKVHPFRVKLAMDQARLFSEEELRLIIEQLAVMDYEMKTGKKDKQLLLELFLLQLLKRNEKNDPHY 3PVS Chain:A ((40-306)) ---PLPRAIEAGH-LHSMILWGPPGTGKTTLAEVIARYANAD------VERISAVTSGVKEIREAIERARQNRNAGRRTILFVDEVHRF--------------AFLPHIED--GTITFIGATT---ENPSFELNSALLSRARVYLLKSLSTEDIEQVLTQAMEDKTRGYGGQDIVLPDETRRAIAELVNGDARRALNTLEMMADMAEVDDSGKRVLKPELLTEIAGERSARKGDRFYDLISALHKSVRGSAPDAALYWYARIITAGGDPLYVARRCL-------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3PVS.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 : 830 2261 2.72 9.96 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 2.72 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.519

(partial model without unconserved sides chains): PDB file : Tito_3PVS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PVS-query.scw PDB file : Tito_Scwrl_3PVS.pdb: