Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MNLQNPKKFKMMIDQAHDVAINVLRPISRKYDKAEHAYPKELDMLASLIDGMNEGGEGINAGAAGAGKRGESDNEGVRNGTNMSTALGIIEMCYGDTGLLLSMPRQ-GLGNSAIAAVANDEQLERFKGTWA------AMAITEPGCGSDSAAIRTTATKDGNDYILNGEKIFVTSGERADSVVVWATLD---RKLGRAAIKSFVVPKGTPGMKVERLEHKLGIKASDTAVISFTDCRVPAENLLGNPEIDVAKGFAGVMETFDNTRPLVAAMAIGCAKASLERIKEIFKDQLDSNYSTPYLQTSNLAAQIYRMEAEWEAARLLMLKATWMADNKKPNSKEASIAKAKAGRVGNEITLKCVELAASVGYKEDELLEKWARDSKILDIFEGTQQIQQLIIARRELGKSSSELK 3MDD Chain:A ((1-385)) GFSFELTEQQKEFQATARKFAREEIIPVAAEYDRTGE-YP--VPLLKRAWEL----------GLMNTHIPESFGGLG---LGIIDSCLITEELAYGCTGVQTAIEANT-LGQVPLIIGGNYQQQKKYLGRMTEEPLMCAYCVTEPGAGSDVAGIKTKAEKKGDEYIINGQKMWITNGGKANWYFLLARSDPDPKAPASKAFTGFIVEADTPGVQIGRKEINMGQRCSDTRGIVFEDVRVPKENVLTGEG----AGFKIAMGTFDKTRPPVAAGAVGLAQRALDEATKYALER--KTFGKLLAEHQGISFLLADMAMKVELARLSYQRAAWEIDSGRRNTYYASIAKAYAADIANQLATDAVQVFGGNGFNTEYPVEKLMRDAKIYQIYEGTAQIQRIIIAREHIGRYK----

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 A - contact count / total energy / energy per contact / energy per residue : 2144 57043 26.61 152.52 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : 26.61 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.479

(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: