Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQACIAIIIILLTVAAYLAMVKLYKRFPLPFLIPV-LTTTILIVAALMMFHVSYEGY-MI------GGKWINSLLGPAVVALAYPLYKQWHIIVKHCVPILGGVLVGLCMGMISGLIFAEAFGIDH--DLLL----SILPKSITTPVAIQIA--AGLGGVP----SMTVVFVMIAGFSGVILGPLFLKWLRIRSSLGQGIALGSASHALGTSKALEYGELAVSMSSVSMTLCAVLGSFFGPLVVWLFHI 5A1S Chain:A ((79-235)) --------------------------------IGGAPVMIFLVAAYFVYAGIFT-QKEIDAISNVMDKSNFLNLFIAVLITGAILSV--NRKLLLKSLLGYIPTILAGIVGASLFGIVIGLCFGIPVDRIMMLYVLPIMGGGNGAGAVPLSEIYHSVTGRSREEYYSTAIAILTIANIFAIIFA-ALLDMVGK---------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5A1S.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 : 236 -37179 -157.54 -271.38 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -157.54 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.58 QMean score : -0.024

(partial model without unconserved sides chains): PDB file : Tito_5A1S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5A1S-query.scw PDB file : Tito_Scwrl_5A1S.pdb: