Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFQKKTYAVFLILLLMMFTAACSGSKTSAEKKESETEKSSDIAQVKIKDVSYTLPSKYDKSTSDDQLVLKVNVAVKNTGKDPLNVDSMDFTLYQ-GDTKMSDTDPEDYSEKLQGSTINADKSVEGNLFFVVDKGKQYELNYTPESYGDKKPKSVTFKIDGKDKKILATADKLQDSAKALSAYVDVLLFGKDNADFEKITGANKNEIVNDFNESAKDGYLSASGLSSTYADSKALDNIVNGIKEGLSKNSSIQAKTTSISKDEAIVEATVKPVDASSLSDRIEDKVKDYYSKNSSASYEEAVKYALQVYPEEFKKLGPASSEKTVEVKMKKNDIDQWQLDMDDYRAAELVEAFIKE 1LMI Chain:A ((42-123)) --------------------------------------------------------------PVAGQVWEATATVNAIRGSVT-PAVSQFNARTADGINYRVLWQAAGPDTISGATIPQGEQSTGKIYFDVTGPSPTIVAMNNGM------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1LMI.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 : 316 -14517 -45.94 -179.22 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -45.94 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.415

(partial model without unconserved sides chains): PDB file : Tito_1LMI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1LMI-query.scw PDB file : Tito_Scwrl_1LMI.pdb: