Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKIGYRTIKTALGTALAIYISQLLHLQNFASAGIITILCIQITQKRSLQASWARFSACCLAIAFSYLFFELIGYHPFVIGALLLIFIPITVLLKINEGIVTSSVIILHLYMSGGITPTFIWNEVQLITVGIGVALLMNLYMPSLDRKLIAYRKKIEDNFAVIFAEIERYLLTGEQDWSGKEIPETHQLITEAKNLAYRDVQNHILRYENLHYHYFKMREKQFEIIERLLPKVTSISITVDQGKMIAEFIHDLREAIHPGNTAYKFLKRLADMRKEFEEMPLPATREEFEARAALFHLLGEMEQYLVIKSYFKGIKAQKSLG 3CI9 Chain:A ((9-35)) -------------------------------------------------------------------------------------------------------------------------------------------------VQDLTSVVQTLLQQMQDKFQTISDQII------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3CI9.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 : 1 -179 -179.00 -6.63 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.45 3D Compatibility (PKB) : -179.00 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.45 QMean score : 0.473

(partial model without unconserved sides chains): PDB file : Tito_3CI9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CI9-query.scw PDB file : Tito_Scwrl_3CI9.pdb: