Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MGGIPKRRAEAQRRSMLKNLQLISFTDQSAEEQEMCVRQLYDTDISTLEECLLQVTHVCITHPNPNAQ----ELLHNFMLWLAGR--SLNIALRLAWTVDAVSAF-YSSTGFAGRLKHIHDKLESYAINQGQPAVPSDSTSGGDGSRTSSDPEEGLGDVDASVVQRKEVRLKL-----YNDERTFVTTLTNL--------SNTLRFFPDRNYRKDELRR-GLRVLNQRLESMRLVHPLCTSSESVQWIVNISVEDCTVFSSRERAPCLIRYEVIVDDTATMQDPTVTRL--------------------RQPDGRFRVRADSDEIFVPAPPPGSEPRAAPLVEASGSGAVEDASPEALQCLHAVFG-ESKKARMARVRKSSPWGAHPNW-----------SMNAMIVKAGDDLRQEELALQLIHTFQCIWQEAGLTVRVKPYAALPTHRDCGLLEVIEDSASMDSIKKATRVSSIYNYYLKAYDGEDSVLYRKAQQNFVESMAGYSIISYILQIKDRHNGNLMIRRDGSLVHIDFGFLFVTSPGGLNFESAPFKLSQELIDVMGGASSDAFNYFRILVYEALAAARERCEDILALVSILTPNNAMPCFGADPGAAVRQLRGRFRDDLLSEADYAVYAKELIVNSADNWRTRRYDQFQSLQNGIL 4TUU Chain:A ((107-1046)) NREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRKSLWVINSALRIKILCATYVNVNDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKEE-HCPLAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDL------LNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEEHANWSVSREAGFSYSHAGLSNRLAR-DNELRENDKEQLKAISTRDPLS-----EITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAMELL-DCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQCKGFNSHTLHQWLKDKNKGE--IYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFL---------DRVPFVLTQDFLIVIST-KTREFERFQEMCYKAYLAIRQHANLFINLFSMM-LGSGMP-------------------ELQSFDDIAYIRKTL---ALDKTEQEALEYFMKQMNDA-

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 : 2665 52120 19.56 92.91 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 19.56 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.222

(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: