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

General information: TITO was launched using: RESULT: Template: 3MDD.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 : 2176 -66599 -30.61 -177.12 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -30.61 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.521

(partial model without unconserved sides chains): PDB file : Tito_3MDD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MDD-query.scw PDB file : Tito_Scwrl_3MDD.pdb: