Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPPRPSSGELWGIHLMPPRILVECLLPNGMIVTLECLREATLITIKHELFKEARKYPLHQLLQDESSYIFVSVTQEAEREEFFDETRRLCDLRLFQPFLKVIEPVGNREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLLSSEQLKLCVLEYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLML------MAKESLYSQLPMDCFTMPSYSRRISTATPYMNGETSTKSLWVINSALRIKILCATYVNVNIRDID-KIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKGRKGAKEEHCP---LAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDL--LNPIGVT-GSNPNKETP-CLELEFDWFSSVVKFPDMSVIEEHANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCL-----VKDWPPIKPEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEM-HNKTVSQRFGLLLESYCRACGMYLKH-LNRQVEAMEKLINLT-DI--LKQEKKDETQKV--QMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQ-CKGGLKGALQFNSHTLHQWLKDKNKGE-IYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKFGYKRERVPFVLTQDFLIVISKGAQECTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDAHHGGWTTKMDWIFHTIKQHALN 3ML9 Chain:A ((2-949)) ----------------------------------------------------------------------------------------------------------SEESQAFQRQLTALIGYDVTDVSNVHDDELEFTRRGLVTPRMAEVASRD---PKLYAMH---PWVTSKP-LPEYLWKKIANNCIFIVI------HRSTTSQTIKVSPDDTPGAILQSFFTK---------------------DFVLRVCGRDEYLVGETPIKNFQWVRHCLKNGEEIHVVLDTPPDPALDEVRKE----------------------------TVSLWDCDRKFRVKIR-GIDIPVL-----LTVFVEANIQHGQQVLCQRRTSPKPFTEEVLWNVWLEFSIKIKDLPKGALLNLQIYC-------------VRLLYYVNLLLIDHRFLLRRGEYVLHMWQIS------GSFNADKLTSATNPDKENSMSISILLDNYCHPIALPK---------------------------RAEMPNQLRK----QLEAIIATDPLNPLTAEDKELLWHFRYESLKHPKAYPKLFSSVKWGQQEIVAKTYQLLARREVWDQSALDVGLTMQLLDCNFSDENVRAIAVQKLES-LEDDDVLHYLLQLVQAVKFEPYHDSALARFLLKRGLRNKRIGHFLFWFLRSEIAQSRHYQQRFAVILEAYLRGCGTAMLHDFTQQVQVIEMLQKVTLDIKSLS----DVSSQVISQLKQKLENLQNSQLPES---FRVPYDPGLKAGALAIEKCKVMASKKKPLWLEFKCAD-PTALSNETIGIIFKHGDDLRQDMLILQILRIMESIWETESLDLCLLPYGCISTGDKIGMIEIVKDATTIAKIQQSTVGNTGA--FKDEVLNHWLKEKSPTEEKFQAAVERFVYSCAGYCVATFVLGIGDRHNDNIMITETGNLFHIDFGHILGNY--------ERVPFVLTPDFLFVMGTSGKKTSP--HFQKFQDICVKAYLALRHHTNLLIILFSMMLMTGMPQLTSKEDIEYIRDALTVGKNEEDAKKYFLDQIEVCRDKGWTVQFNWFLHLV------

General information: TITO was launched using: RESULT: Template: 3ML9.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 : 4357 -49532 -11.37 -60.63 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -11.37 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.323

(partial model without unconserved sides chains): PDB file : Tito_3ML9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ml9-query.scw PDB file : Tito_Scwrl_3ML9.pdb: