Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIAAQPPVQADQTVYLKDYQKPVFLVESINLDIQVYDDKTIVDSTLVM---KRQTAGDLVLLGRDLELQSIQLNGQDLTPAQ-YSLDSEQLVITDA---PDEVILQTQVIIHPETNTQLEGLYKAGDLFVTQNEPEGFRKITFYPDRPDVLSVFTTRVEADK-KYPVLLANGNLLETGEVGENRHFAIWQDPTKKPSYLFACVIGDLAVLKDRYTTS-EGREVALEIYAIEKDIPKCHIAMEALKHSMRWDEEHYGRAYDLDNYMIVAVSQFNMGAMENKGLNIFNTSCVLADEEYTTDAAIMRVQSVIAHEYFHNWTGNRITCRDWFQLCLKEGLTVFRDQSFSEDLQSAAVQRIDDVAVLKSHQFPEDAGPLSHPPRPDHFVEINNFYTATVYEKGAEINRMMSTLLGKEKFRQGTDEYFRRHDGQAVTVEDWVAAL-------SAGSGVDLSAFLTWYNQPGTPKVEAKGEYDAAAQTYRLSFKQSLKAHPKYPNLKAVPIPVALALFNAKTGEQYTLQSESLFVNGVKDGVYLFDQDEATIEFTGVTEQPVVSLLRNFSAPVNLVFDYTDEELAFLIQHETNGFNQWQAT------QTLLE----------------------------RILLEDHSADAYIQAIQSTLPELVSRAPLLASRLFDV--PTEGYLGSRIDQNYAPADIHVKREALLNRLAQELGSFWKDTYLTLDPDLQKEFSLAMGVRALKNIMLMMMARQGDQSAFELAYEQYQSTGNMSERLGALRVLVWQSAPQAQEALADFYNRFKDEALSLDQWF-MIQAANPNATVETIEYLTQHPDYDLTTPNRIRAVSGGLSNNPENTWGFGVAHFINLAEYL---DEKNPILGSRLLQVLSRWYTL-AEPQRTQVQQALQALQPKVKSKNVSETLNSMLSI 3Q43 Chain:A ((6-884)) ---------------YRKDYKPSGFIINQVTLNINIHDQETIVRSVLDMDISKHNVGEDLVFDGVGLKINEISINNKKLVEGEEYTYDNEFLTIFSKFVPKSKFAFSSEVIIHPETNYALTGLYKSKNIIVSQCEATGFRRITFFIDRPDMMAKYDVTVTADKEKYPVLLSNGDKVNEFEIPGGRHGARFNDPPLKPCYLFAVVAGDLKHLSATYITKYTKKKVELYVFSEEKYVSKLQWALECLKKSMAFDEDYFGLEYDLSRLNLVAVSDFNVGAMENKGLNIFNANSLLASKKNSIDFSYARILTVVGHEYFHQYTGNRVTLRDWFQLTLKEGLTVHRENLFSEEMTKTVTTRLSHVDLLRSVQFLEDSSPLSHPIRPESYVSMENFYTTTVYDKGSEVMRMYLTILGEEYYKKGFDIYIKKNDGNTATCEDFNYAMEQAYKMKKADNSANLNQYLLWFSQSGTPHVSFKYNYDAEKKQYSIHVNQYTKPDENQKEKKPLFIPISVGLINPENGKEMISQT-----------TLELTKESDTFVFNNIAVKPIPSLFRGFSAPVYIEDQLTDEERILLLKYDSDAFVRYNSCTNIYMKQILMNYNEFLKAKNEKLESFQLTPVNAQFIDAIKYLLEDPHADAGFKSYIVSLPQDRYIINFVSNLDTDVLADTKEYIYKQIGDKL--NDVYYKMFKSLEAKADDLTYFNDESHVDFD---------QMNMRTLRNTLLSLLSKAQYPNILNEIIEHSKSPY-PSNWLTSLSVSAY--FDKYFELYDKTYKLSKDDELLLQEWLKTVSRSDRKDIYEILKKLENEVLKDSKNPNDIRAVYLPFTNNLRRFHDISGKGYKLIAEVITKTDKFNPMVATQLCEPFKLWNKLDTKRQELMLNEMNTMLQEPQISNNLKEYL------

General information: TITO was launched using: RESULT: Template: 3Q43.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 : 4581 151409 33.05 184.20 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : 33.05 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.428

(partial model without unconserved sides chains): PDB file : Tito_3Q43.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3Q43-query.scw PDB file : Tito_Scwrl_3Q43.pdb: