Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLTVSDVSLRFSDRKLFDDVNIKFTEGNTYGLIGANGAGKSTFLKILAGDIEPTTGHISLGPDERLSVLRQNHFDYEDERAIDVVIMGNEKLYSIMKEKDAIYMKEDFSDEDGVRAAELEGEFAELGGWEAESEASQLLQNLNIPEELHYQNMSELANGEKVKVLLAKALFGKPDVLLLDEPTNGLDI-QSITWLEDF--LIDFDNTVIVVSHDRHFLNKVCTHMADLDFGKIKLYVGNYDFWKESSELAAKLLADRNAKAEEKIKQLQEFVARFSANASKSRQATSRKKMLDKIELEEIVPSSRKYPFINFKAEREIGNDLLTVENLTVKIDGETILDNISFILRPDDKTALIGQNDIQTTALIRAIMG-DIDYEGTVKWGVTTSQSYLPKDNSADFAGGESILDWLRQFASKEEDDNTFLRGFLGRMLFSGDEVNKPVNVLSGGEKVRVMLSKLMLLKSNVLVLDDPTNHLDLESISSLNDGLKNFKE----SIIFASHDHEFIQTLANHIIVLSKNGVIDRIDETYDEFLENAEVQAKVKELWKD 1YQT Chain:A ((46-475)) -------------------------EGMVVGIVGPNGTGKSTAVKILAGQLIPNLCGDNDSWDGVIRAFRGNELQNYFEK------LKNGEIRPVVKPQYVDLIPKAVKG----KVIELLKKADETGKLEEVVKALEL-------ENVLEREIQHLSGGELQRVAIAAALLRNATFYFFDEPSSYLDIRQRLNAARAIRRLSEEGKSVLVVEHDLAVLDYL-SDIIHVVYGE----PGVYGIFSQPK-------GTRNGINEFLRGYLKDENVRFRPYEIKFTKTGERVE----IERETLV----TYP----RLVKDYGSFRLEVEPGEIK-KGEVI--------------GIVGPNGIGKTTFVKMLAGVEEPTEGKIEWDLTVA--YKPQYIKADYEG--TVYELLSKIDASKLNSN-FYKTELLKPLGIIDLYDREVNELSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLMVF--------------------------------

General information: TITO was launched using: RESULT: Template: 1YQT.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 : 2156 -28340 -13.14 -67.16 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -13.14 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.358

(partial model without unconserved sides chains): PDB file : Tito_1YQT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YQT-query.scw PDB file : Tito_Scwrl_1YQT.pdb: