Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRMVDLIEKKRDGNELSKEEIEYIVTNYTNGKIPDYQVSALLMAIFYQDMTNEEITNLTLAIANSGDVIDLSSLE--GIKVDKHSTGGVGDTTTLILAPLVASVGVTVAKMSGRGLGYTGGTLDKLEAIPGFQIELSDEEFVRIVNESKVAVIGQSGNLAPADKKLYALRDVTATVDSLPLIASSIMSKKIAAGADAIVLDVTTGDGAFMKNIEDARRLAKTMTSIGKLANRETVAVISDMSEPLGEAIGNSLEVVEAIETLQG--NGPEDLVEMCYALGSQMVVLAGKAKTTDEARTLLQEALESGKALAKFKEMIQNQGGDPAIVEHPERIL-TARYTMELPAKQSGVVSKIVANELGIAAMMLGAGRKTKEEDIDHAVGLKLHKKIGDTVTKGESLLTIYSNDEEITSVIELLYKNIEIGESAMKPTLIHDIITE 4YEK Chain:B ((6-407)) ----EIIRKKRDGHALSDEEIRFFINGIRDNTISEGQIAALAMTIFFHDMTMPERVSLTMAMRDSGTVLDWKSLNLNGPIVDKHSTGGVGDVTSLMLGPMVAACGGYVPMISGRGLGHTGGTLDKLEAIPGFDIFPDDNRFREIIQDVGVAIIGQTSSLAPADKRFYATRDITATVDSIPLITGSILAKKLAEGLDALVMDVKVGSGAFMPTYELSEALAEAIVGVANGAGVRTTALLTDMNQVLASSAGNAVEVREAVQFLTGEYRNPR-LFDVTMALCVEMLISGQLAKDDAEARAKLQAVLDNGKAAEVFGRMVAAQKGPSDFVENYDKYLPTAMLSKAVYADTEGFISAMDTRALGMAVVSMGGGRRQASDTIDYSVGFTDMARLGDSIDGQRPLAVIHAKDE-------------------------------

General information: TITO was launched using: RESULT: Template: 4YEK.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 : 2306 13503 5.86 34.01 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : 5.86 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.487

(partial model without unconserved sides chains): PDB file : Tito_4YEK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YEK-query.scw PDB file : Tito_Scwrl_4YEK.pdb: