Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKNKRKQKHMSLLKEGIKMKDTGSSKQITTMTFIGMTCALVASVRNIPDVAATSWTMIFYMLVAVLLYAFPISLISGEFAGMFPQKGGPELWVSNALGKKW-GFVVSWLLWVQMFPGMVMVASALAPLFGNIIDNVPLGLNSKFTLVVILVVYWIITFLNLKFDMAKIGGKVGVWLGLYVPLTMMLLLGFAAWIKVGIVPTGTLGSFSWDKLIPD--TTTASSFVYFAPIMFI-FTGIEMSSVYITRLENPVKTYIRGVFAALIFIFFVNILNALVVANVVPKGQMELNNIAQSISIYCQILGLPHLIVNLFSLLVFIG----VAVQLSAWASGPAKTVTESARKGAYPPKFNFWKTNQFDVSKSVILTQSVIISIFALFYLL--IPGVNQAFLMLVNSTTVIYCIVYVIMGIAVLRLRYTHAKLNRPFRIGKKEKKSNLGVWTVVIVLFAAIGFSVGLTMKAGTWINLIAVTAISVILFVVPLCIEKIKKPSWEQEVAMLLEKEKGELDGKTGNETDSN 3GI9 Chain:C ((50-354)) -------------------------------------------------------------------IYALLVAYSYTKLGAKIVSNAGPIAFIHKAIGDNIITGALSILLWMSYVISIALFAKGFAGYFLPLI-APINTFNIAITEIGIVAFFTALNFF---------GSKAVGRAEFFIVLVKLLILGL--FIFAGLI------TIHPSYVIPDLAPSAVSGMIFASAIFFLSYMGFGVITNASEHIENPKKNVPRAIFISILIVMFVYVGVAISAI-----GNLPIDELIKASENALAVAAKPFL-GNLGFLLISIGALFSISSAMNATIYGGANVAYSLAKDGELPEFFE--RKVWFKSTEGLYITSALGV-LFALLFNMEGVASITSAVFMVI---------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3GI9.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1199 -123382 -102.90 -419.66 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain C : 0.64 3D Compatibility (PKB) : -102.90 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.263

(partial model without unconserved sides chains): PDB file : Tito_3GI9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GI9-query.scw PDB file : Tito_Scwrl_3GI9.pdb: