Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEEALARHDRFGEDFSK---VFTIINSAEIPAVENSALYLFVGTSRAPDEASKYVRDRVAQNAQSSTLEETLHSIHEEL----------KILSK-------KMTREDPMNLDPEIEAALYERDGGCCF---ITGRTAGVQPIYIIPPSILEDKDLQPGGYLRPLLEVSLT-KEGTEQMLNLLGLPGRENVLKNLILMEPSIRYSFRHGYFE-----------IIKSPYLEPPYLPTDAPKSKNGGW--WLQPIAPQSEVPQ-------IIPRNNE--------------------------LYKVPSTINPISHPL---------------------------PARLLLKTHGIVSHPLHTIY--------------------IEEQIKAG------WPVEPEPKELNWVGRLLLQILLRLIPNFAR----------IRLYELI-----------YKMVD--YWDPSQKGSHVKFLPLGLVLKKGRENTENEAKALTLAEQYISISTPRLIDSVMVNKTSGFILM--------TKVVGRSLSSILHRIT---------WEELEQIGKDLANFITELRRIPNSSKYLIADTRGGPISDHRFFYQTWGPFKTVSGFTDRL----LQDVK-GARDKPPLSFLYE----------KKHKVYFTHSD--------IHMTNLF------------------VTCGRLSGVVDWENAGFKPEYWEYI----RAMWAYGADKHAKCLYGSAFGDKYKEEGGIEITAVWIGFS-------LTTFSG------FSGLIFEQLIRLRNEYLPLAQGKISPDVNPGHLCSTAKTSYTSAFARWEAVPA----RPMPT-SQSGPITAKDAFKG------------------- 4TUU Chain:A ((107-1046)) NREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRKSLWVINSALRIKILCATYVNVNDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKEEHCPLAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEEHANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQCKGFNSHTLHQWLKDKNKGEIYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDRVPFVLTQDFLIVISTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDA

General information: TITO was launched using: RESULT: Template: 4TUU.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 : 2911 42713 14.67 67.37 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 14.67 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.162

(partial model without unconserved sides chains): PDB file : Tito_4TUU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4tuu-query.scw PDB file : Tito_Scwrl_4TUU.pdb: