Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHVTQEQVMMRKMVRDFARKEIAPAAEIMEKTDEFPFQLIKKMGKHGLMGIPVPEQYGGAGADVVSYILAIHEISRISAAVGVILSVHTSVGTNPILYFGNEEQKMKYIPNLASGDHLGAFALTEPHSGSDAGSLRTTAIKKNGKYLLNGSKIFITNGGAADIYITFALTAPDQ---GRHGISAFIVEKNTPGFTVGKKERKLGLYGSNTTELIFDNAEVPEANLLGKEGDGFHIAMANLNVGRIGIAAQALGIAEAALEHAVDYAKQRVQFGRPIAANQGISFKLADMATRAEAARHLVYHAADLHNRGLNCGKEASMAKQFASDAAVKAALDAVQIYGGYGYMKDYPVERLLRDAKVTQIYEGTNEIQRLIISKYLLGGT 3MDE Chain:B ((4-382)) FELTEQQKEFQATARKFAREEIIPVAAEYDRTGEYPVPLLKRAWELGLMNTHIPESFGGLGLGIIDSCLITEELAYGCTGVQTAIEANT-LGQVPLIIGGNYQQQKKYLGRMTEEPLMCAYCVTEPGAGSDVAGIKTKAEKKGDEYIINGQKMWITNGGKANWYFLLARSDPDPKAPASKAFTGFIVEADTPGVQIGRKEINMGQRCSDTRGIVFEDVRVPKENVLTGEGAGFKIAMGTFDKTRPPVAAGAVGLAQRALDEATKYALERKTFGKLLAEHQGISFLLADMAMKVELARLSYQRAAWEIDSGRRNTYYASIAKAYAADIANQLATDAVQVFGGNGFNTEYPVEKLMRDAKIYQIYEGTAQIQRIIIAREHIG--

General information: TITO was launched using: RESULT: Template: 3MDE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2181 -72943 -33.44 -194.00 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -33.44 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.531

(partial model without unconserved sides chains): PDB file : Tito_3MDE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MDE-query.scw PDB file : Tito_Scwrl_3MDE.pdb: