Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQWWQILLLTLYSAYQICDELTIVSSAGSPVFAGFITGLIMGDVTTGLLIGGNLQLFVLGVGTFGGASRIDATSGAVLATAFSVSQGIDAPLAITTIAVPVAALLTYFDVLGRMTTTFFAHRVDAAIERFDYKGIERNYLLGAIPWALSRALPVFFALAFGGAFVQSVVDFVEAYKWVADGLTLAGRMLPGLGF--AILLRYLPVKRNLHYLAMGFG---LTAMLTVLYSYVTGLGGAVAGIVGTLPAEVAQKIGFVNNFKGLSMIGISIVGIFLAVLHFKNSQKVAVAAPSTPSESGEIEDDEF 2B2I Chain:A ((8-74)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------WILASTALVMLMVPGVGFFYAGMVRR---KNAVNMIALSFISLIITVLLWIFYGYSVSFGNDISGIIGGL-----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2B2I.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 : 82 -20338 -248.02 -328.02 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.48 3D Compatibility (PKB) : -248.02 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.48 QMean score : -0.004

(partial model without unconserved sides chains): PDB file : Tito_2B2I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2B2I-query.scw PDB file : Tito_Scwrl_2B2I.pdb: