Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGTLPMLVMFIALLAMWFFMSRSQKKQQQERQNLLDSMKPGDSVVTIGGLHGVVSEIDNDKRTVVLDCEGIFLEYDRAAIKTVKPG------TVVTND----ATTTVETTEEPAETVEVKTETTETLEETEEKEEK 3S5H Chain:A ((1040-1134)) -----------------------------------------DTVRGLNGAYGVFADIEYDGSVVFLSARDPNLEKTLATFRESAKGLRKMADTMTENDLLRYIINTIGTIDKPRRGIELSKLSFLRLISNESEQDR

General information: TITO was launched using: RESULT: Template: 3S5H.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 : 154 -2361 -15.33 -27.77 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -15.33 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.365

(partial model without unconserved sides chains): PDB file : Tito_3S5H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3S5H-query.scw PDB file : Tito_Scwrl_3S5H.pdb: