Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQQVIIVGGGMVGLSLSLMLAKANIAVKLLEAVKYPNYDDQNVAPYHSSFDARNTALSRRSVQIYQKLGLWDALQQHATPILQVHITEQGSFGKARLIAEQEKVESFGQVIENAWLGRVLLTQVRQQPLIE---------LIDGVQVTALTQDAEQVHIEAQRGDEVLKLESKLLIAADGRDSFCRQAIGVGVDVHDYDQVAIVTTVQ----TSKPHEHVGFERFSALGPLALLPLPGEYRRSVVW----PVKKGTEGEWLGEENDQHFLDALQKTYGDRAGKFEKTG-KRFSYPLSQVLAHKQAVGRIILMGNAAHTIHPVAGQGFNLCLRDADVLLRYLVNQLSASDDIGNPDNLLAYEEARLSDQQRVIKFCDTVVRGFSNQNPLLKLIRNTGLIAFDVIPGVKPLVANYAMGLKA 2QA2 Chain:A ((14-305)) ---SVIVVGAGPAGLMLAGELRLGGVDVMVLEQLP------------QRTGESRGLGFTARTMEVFDQRGILPAFGP-------VETSTQGHFGG--------RPVDFG-VLEGAHYGVKAVPQSTTESVLEEWALGRGAELLRGHTVRALTDEGDHVVVEVEGPDGPRSLTTRYVVGCDGGRSTVRKAAGFDFPGTSASREMFLADIRGCEITPRP-----IGETVPLGMVMSAPLGDGVDRIIVCERGAPARRRT-----GPPPYQEVAAAWQRLTGQDISHGEPVWVSAFGDPARQVSAYRR--GRVLLAGDSAHVHLPAGGQGMNVSVQDS-------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2QA2.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 : 1346 -31810 -23.63 -116.09 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -23.63 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.415

(partial model without unconserved sides chains): PDB file : Tito_2QA2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QA2-query.scw PDB file : Tito_Scwrl_2QA2.pdb: