Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEPLKSHTGKAAVLNRINVDTDQIIPKQFLKRIERTGYGRFAFFDWRYDANGEPNPEFELNQPVYQGASILIAGENFGCGSSREHAPWALDDYGFKIIIAPSFADIFHQNCFKNGMLPIRMPYDNWKQLVGQYENQSLQMTVDLENQLIHD-SEGNQISF-EVDPHWKEMLINGYDEISLTLLLEDEIKQFESQRSSWLQA 3VBA Chain:A ((3-155)) ----SIIKGRVWKF-GNNVDTDAILPARYLVYTKPEELAQFVMTGA--------DPDFPKK---VKPGDIIVGGKNFGCGSSREHAPLGLKGAGISCVIAESFARIFYRNAINVGLPLIECKGI-SE----KV-NEGDELEVNLETGEIKNLTTGEVLKGQKLPEFMMEILEAGG--------------------------

General information: TITO was launched using: RESULT: Template: 3VBA.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 : 817 -84814 -103.81 -561.68 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -103.81 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.401

(partial model without unconserved sides chains): PDB file : Tito_3VBA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VBA-query.scw PDB file : Tito_Scwrl_3VBA.pdb: