Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIAVIGLGNMGQPIARNVLQAGYELTVYNRTKQKTEDLVTEGAQAADTPRLAAKSADIVITMLADDDSVSTVTFGEDGLLEGLAENGIHISMSTISVEFSEKLAAAHAEKGQFFLAAPVLGRPDAAAKAALRIITAGPAEAKQAAKPLLDSLSQQIFDVGEESKTANAAKISINFLLVSMLEALSESFLMMEKYGLEQKQFLEIAS-ALFGSPVYQNYGTIMAEQKFEPAGFKMSLGLKDTNLALAAAKRVSANLPLAELAKSHFESGIEKGFGDLDWAALIKCIK 1VPD Chain:A ((6-289)) MKVGFIGLGIMGKPMSKNLLKAGYSLVVSDRNPEAIADVIAAGAETASTAKAIAEQCDVIITMLPNSPHVKEVALGENGIIEGAKPGTVLIDMSSIAPLASREISDALKAKGVEMLDAPVSGGEPKAIDGTLSVMVGGDKAIFDKYYDLMKAMAGSVVHTGD-IGAGNVTKLANQVIVALNIAAMSEALTLATKAGVNPDLVYQAIRGGLAGSTVLDAKAPMVMDRNFKP-GFRIDLHIKDLANALDTSHGVGAQLPLTAAVMEMMQALRADGHGNDDHSALACYY-

General information: TITO was launched using: RESULT: Template: 1VPD.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 : 1601 -174356 -108.90 -616.10 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -108.90 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.614

(partial model without unconserved sides chains): PDB file : Tito_1VPD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VPD-query.scw PDB file : Tito_Scwrl_1VPD.pdb: