Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKKVILAAFILVGSTLGAFSFSSDAS-AKHVNGNITWYNGVGKKGSSGKKLGHWDCATKIGFDVPRNGTKIRAYAKAKPKKVITVYKNDVGRMPNAVLDVSPKAFKALGYPLSKGKVAGHYSY 3U3P Chain:A ((117-200)) MIEKLPCAALTDRECTCPPGMFQSNATCAPHTVCPVGW--GVRKKGTETEDVRCKQCARGTFSDVPSSVMKCKAYTDCLSQNLVVI--------------------------------------

General information: TITO was launched using: RESULT: Template: 3U3P.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 : 260 -10131 -38.97 -122.06 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -38.97 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.115

(partial model without unconserved sides chains): PDB file : Tito_3U3P.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3U3P-query.scw PDB file : Tito_Scwrl_3U3P.pdb: