Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKNKRKQKHMSLLKEGIKMKDTGSSKQITTMTFIGMTCALVASV-RNIPDVAATSWTMIFYMLVAVLLYAFPISLISGEFAGMFPQKGGPELWVSNALG-KKWGFVVSWLLWVQMFPGMVMVASALAPLFGNIIDNVPLGLNSKFTLVVILVVYWIITFLNLKFDMAKIGGKVGVWLGLYVPLTMMLLLGFAAWIKVGIVPTGTLGSFSWDKLIPDTTTASSFVYFAPIMFIFTGIEMSSVYITRLENPVKTYIRGVFAALIFIFFVNILNALVVANVVPKGQMELNNIAQSISIYCQILGLPHLIVNLFSLLVFIGVAVQLSAWASGPAKTVTESARKGAYPPKFNFWKTNQFDVSKSVILTQSVIISIFALFYLLIPGVNQAFLMLVNSTTVIYCIVYVIMGIAVLRLRYTHAKLNRPFRIGKKEKKSNLGVWTVVIVLFAAIGFSVGLTMKAGTWINLIAVTAISVILFVVPLCIEKIKKPSWEQEVAMLLEKEKGELDGKTGNETDSN 3GIA Chain:A ((3-435)) ------------LKNKKLS---------LWEAVSMAVGVMIGASIFSIFGVGAKIAGRNLPETFILSGIYALLVAYSYTKLGAKIVSNAGPIAFIHKAIGDNIITGALSILLWMSYVISIALFAKGFAGYFLPLIN--APINTFNIAITEIGIVAFFTALNFF--GSKAVGRAEFFIVLVKLLILGLFIFAGLITIH----------PSYVIPDLAPSAVSGMIFASAIFFLSYMGFGVITNASEHIENPKKNVPRAIFISILIVMFVYVGVAISAIGNLPIDELIKA-SENALAVAAKPFLG-NLGFLLISIGALFSISSAMNATIYGGANVAYSLAKDGELPEFFERKVWFK---STEGLYITSALGVLFALL------FNMEGVASITSAVFMVIYLFVILSHYILIDEV-----GGRKEIVIFSFIVVLGVFLLLLYYQWIT---------NRFVFYGIIATFIGVLIFEIIYRKVTKRTFSNNMYVKS--------------------

General information: TITO was launched using: RESULT: Template: 3GIA.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 : 2474 -358541 -144.92 -831.88 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -144.92 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.366

(partial model without unconserved sides chains): PDB file : Tito_3GIA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GIA-query.scw PDB file : Tito_Scwrl_3GIA.pdb: