Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNRIFFILVAAGVPLSVIGSLMHWPSAVLFAVYCVTIIALASYMGRATESLSIIAGPRIGGLLNATFGNAVELIISLFALKEGLTGIVLASLTGSVLGNLLLVAGLSFFVGGLKYKRQEFNIHDARHNSGLLIFAIIVAFVIPEVFSVGMGNASK------LNLSIGISIIMILLYVAALYFKLVTHRGVYQPNNAAQTEEEEE--------PEWSGKVAT--IVLFAATIVVAYISENLVHTFHSVAEQFGWSELFIGVIIVAIVGNAAEHASAIIMAFKNKMDIAVEIAVGSTLQIAMFVAPVLVICSIFFPTSMPLVFTLPELVAMVSAVLLMIAISNDGDSNWFEGATLLAAYVIMAIGFFLL 4K1C Chain:A ((52-401)) ------------VPLGLIWGHFQLSHTLTFLFNFLAIIPLAAILANATEELADKAGNTIGGLLNATFGNAVELIVSIIALKKGQVRIVQASMLGSLLSNLLLVLGLCFIFGGYNRVQQTFNQTAAQTMSSLLAIAC-ASLLIPAAFRATLP----FIDGKILELSRGTSIVILIVYVLFLYFQLGSHHALFE----QQEEETDEVMSTISRNPHHSLSVKSSLVILLGTTVIISFCADFLVGTIDNVVESTGLSKTFIGLIVIPIVGNAAEHVTSVLVAMKDKMDLALGVAIGSSLQVALFVTPFMVLVGWMIDVPMTLNFSTFETATLFIAVFLSNYLILDGESNWLEGVMSLAMYILIAMAFF--

General information: TITO was launched using: RESULT: Template: 4K1C.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 : 1683 -302789 -179.91 -923.14 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -179.91 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.404

(partial model without unconserved sides chains): PDB file : Tito_4K1C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4K1C-query.scw PDB file : Tito_Scwrl_4K1C.pdb: