Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKSGKWFSLAAALSVTAIVGAGCSMSNGDAQKDTKTTAETKQTEQKTADSKKSNTQNSEFSLESQYFNDIKKVDGLETIQNPENILALVNKQYALPGNYEPSDLVIPDVEFSFEEKIQKRYIRKEAADALKTMFDAAKKEGYELAAVSGYRSYDRQKVIFDNEVSLKGERKAKEAVAYPGESEHQTGLAMDISSRSNGFELNEAFGSTADGKWVQDNAYKYGFIIRYPKNKEDITKYEYEPWHLRYVGKKAAKVIQDNDLTLEEYFEKVKKI 4OX3 Chain:A ((5-217)) ------------------------------------------------------------FSLESQYFNDIKKVDGLETIQNPENILALVNKQYALPGNYEPSDLVIPDVEFSFEEKIQKRYIRKEAADALKTMFDAAKKEGYELAAVSGYRSYDRQKVIFDNEVSLKGERKAKEAVAYPGESEHQTGLAMDISSRSNGFELNEAFGSTADGKWVQDNAYKYGFIIRYPKNKEDITKYEYEPWHLRYVGKKAAKVIQDNDLTLEEYFEKVKKI

General information: TITO was launched using: RESULT: Template: 4OX3.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 : 1098 -54832 -49.94 -257.43 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.91 3D Compatibility (PKB) : -49.94 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.525

(partial model without unconserved sides chains): PDB file : Tito_4OX3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OX3-query.scw PDB file : Tito_Scwrl_4OX3.pdb: