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 4K5L Chain:A ((7-885)) ---------------YRKDYKPSGFIINQVTLNINIHDQETIVRSVLDMDISKHNVGEDLVFDGVGLKINEISINNKKLVEGEEYTYDNEFLTIFSKFVPKSKFAFSSEVIIHPETNYALTGLYKSKNIIVSQCEATGFRRITFFIDRPDMMAKYDVTVTADKEKYPVLLSNGDKVNEFEIPGGRHGARFNDPPLKPCYLFAVVAGDLKHLSATYITKYTKKKVELYVFSEEKYVSKLQWALECLKKSMAFDEDYFGLEYDLSRLNLVAVSDFNVGAMENKGLNIFNANSLLASKKNSIDFSYARILTVVGHEYFHQYTGNRVTLRDWFQLTLKEGLTVHRENLFSEEMTKTVTTRLSHVDLLRSVQFLEDSSPLSHPIRPESYVSMENFYTTTVYDKGSEVMRMYLTILGEEYYKKGFDIYIKKNDGNTATCEDFNYAMEQAYKMKKADNSANLNQYLLWFSQSGTPHVSFKYNYDAEKKQYSIHVNQYTKPDENQKEKKPLFIPISVGLINPENGKEMISQT-----------TLELTKESDTFVFNNIAVKPIPSLFRGFSAPVYIEDQLTDEERILLLKYDSDAFVRYNSCTNIYMKQILMNYNEFLKAKNEKLESFQLTPVNAQFIDAIKYLLEDPHADAGFKSYIVSLPQDRYIINFVSNLDTDVLADTKEYIYKQIGDKL--NDVYYKMFKSLEAKADDLTYFNDESHVDFD---------QMNMRTLRNTLLSLLSKAQYPNILNEIIEHSKSPY-PSNWLTSLSVSAY--FDKYFELYDKTYKLSKDDELLLQEWLKTVSRSDRKDIYEILKKLENEVLKDSKNPNDIRAVYLPFTNNLRRFHDISGKGYKLIAEVITKTDKFNPMVATQLCEPFKLWNKLDTKRQELMLNEMNTMLQEPQISNNLKEYL------

General information: TITO was launched using: RESULT: Template: 4K5L.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 : 4579 149762 32.71 182.19 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : 32.71 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.422

(partial model without unconserved sides chains): PDB file : Tito_4K5L.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4K5L-query.scw PDB file : Tito_Scwrl_4K5L.pdb: