Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKKVILAAFILVGSTLGAFSFSSDASAKHVNGNITWYNGVGKKGSSGKKLGHWDCATKIGFDVPRNGTKIRAYAKAKP---KKVITV---YKNDVGRMPNAVLDVSPKAFKALGYP--LSKGKVAGHYSY 3SUJ Chain:A ((53-115)) -----------------------------------------------------------AGYNSPNCGSCYQLTY-SSAHTTPKSIYMVAIDRSA----EG--FTASKQAMDDLTNKRAEELGTVNVDV--

General information: TITO was launched using: RESULT: Template: 3SUJ.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 : 158 -20579 -130.25 -374.16 target 2D structure prediction score : 0.78 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -130.25 2D Compatibility (Sec. Struct. Predict.) : 0.78 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.833

(partial model without unconserved sides chains): PDB file : Tito_3SUJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SUJ-query.scw PDB file : Tito_Scwrl_3SUJ.pdb: