Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKTKLTGRIVTRDDPDYNEARTNINLSLERYPDIIVFCQNKQDALNALKWARENRVPFRIRGGRHSYENFSLLNN-GLVIDLSEMKKITVNQDKKLAYIEAGAELGEVYRTLWQ-YGLTLPAGTIANVGLTGLTLGGGIGLLTRAAGLTCDSLVQLEMIVADEKEGADLITV----SCSNHPDLFWASQGGGGGNFGIVTSMTFKAV--------------PISQVSIFSITWGWDDFEEV--------YNTW--QNW---APYTDDRLTSSIEFWPKEVNRIEALGQFVGPKTELKKLLKPLLKAGSPTSGM-----VKTTPFIEAVTFFNSPG-GNQPQKMKRSGSFIEKPLSERAISTIKHFLEHAPNQNAS--VWQQALGGAAGRVAPDQTAFYYRDAIIAQEYLTNWTSPGEKRQNVRWIEGLRTSLSKETM----------GDYVNWPDIEIRN---------WPRTYYGENVERLRRVKTTYDPENVFRFEQS--IPPLRRSLFF 2Y3S Chain:A ((44-529)) -----------------YEDLRRGENLRFVGDPEEIHLVGSAAEIEQVLSRAVRSGKRVAVRSGGHCYEDFVANSDVRVVMDMSRLSAVGFDEERGAFAVEAGATLGAVYKTLFRVWGVTLPGGACPDVGAGGHILGGGYGPLSRMHGSIVDYLHAVEVVVVDASGDARTVIATREPSDPNH-DLWWAHTGGGGGNFGVVVRYWLRTAEADVPPEPGRLLPRPPAEVLLNTTVWPWEGLDEAAFARLVRNHGRWFEQNSGPDSPWCD--LYSVLALTRSQSGALAMTTQLDATGPDAEKRLETYLAAVSEGVGVQPHSDTRRLPWLHSTRWPGIAGDGDMTGRAKIKAAYARRSFDDRQIGTLYTRLTSTDYDNPAGVVALIAYGGKVNAVPADRTAVAQRDSILKIVYVTTWEDPAQDPVHVRWIRELYRDVYADTGGVPVPGGAADGAYVNYPDVDLADEEWNTSGVPWSELYYKDAYPRLQAVKARWDPRNVFRHALSVRVPP-------

General information: TITO was launched using: RESULT: Template: 2Y3S.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 : 2454 -186865 -76.15 -440.72 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -76.15 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.411

(partial model without unconserved sides chains): PDB file : Tito_2Y3S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Y3S-query.scw PDB file : Tito_Scwrl_2Y3S.pdb: