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:B ((52-401)) ------------VPLGLIWGHFQLSHTLTFLFNFLAIIPLAAILANATEELADKAGNTIGGLLNATFGNAVELIVSIIALKKGQVRIVQASMLGSLLSNLLLVLGLCFIFGGYNRVQQTFNQTAAQTMSSLLAIAC-ASLLIPAAFRATLP----DGKILELSRGTSIVILIVYVLFLYFQLGSHHALFE----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 B - contact count / total energy / energy per contact / energy per residue : 1675 -298547 -178.24 -910.20 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -178.24 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.392

(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: