Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNRIFFILVAAGVPLSVIGSLMHWPSAVLFAVYCVTIIALASYMGRATESLSIIAG--P-RIGGLLNATFGNAVELIISLFALKEGLTGIVLASLTGSVLGNLLLVAGLSFFVGGLKYKRQEFNIHDARHNSGLLIFAIIVAFVIPEVFSVGMGNASKLNLSIGISIIMILLYVAALYFKLVTHRGVYQPNNAAQTEEEEEPEWSGKVATIVLFAATIVVAYISENLVHTFHSVAEQFGWSELFIGVIIVAIVGNAAEHASAIIMAFKNKMDIAVEIAVGSTLQIAMFVAPVLVICSIFFPTSMPLVFTLPELVAMVSAVLLMIAISNDGDSNWFEGATLLAAYVIMAIGFFLL 4K1C Chain:A ((258-404)) -------------------------SLVILLGTTVIISFCADFLVGTIDNVVESTGLSKTFIGLIVIPIVGNAAEHVTSVLVAMKDKMDLALGVAIGSSLQVALFVTPFMVLVGWMIDVPMTLNFST--FETATLFIA-VFLS-N--YLI------LDGESNWLEGVMSLAMYILIAMAFFYYP--------------------------------------------------------------------------------------------------------------------------------------------------------------------------

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 : 240 -39638 -165.16 -275.26 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.50 3D Compatibility (PKB) : -165.16 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.50 QMean score : 0.183

(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: