Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDEVINVISKCITQLNLFVDGPAAHLSGTAAPTTIETIRKCIADHAYLFTDHRINGQRMWELVCSATFTVGEPRTPTTAATATATLLSLFRRLTDSVAASARAPEADILKHLVKLLRDAVKPPLVRGASPGQLRCLFQAAMRLLKLLLPLKKRADVQTECLHLLLALMQLSDLQEAHCAVVASGDEVAQVAKLCADICGAKHDVALRPQNASMQLLGCLCEQPAYVHALSGQLAERILKCFLDVARNLAQRAEVNQTLGEGLLRGLAGVLGSFPLRCEEDAPALTLINNIVLSALMLGETSTNYTFCLSALFLLRRRASDTLAPFTLLCAAEYSVALRSLWMHRNKDVRRETHAAAAVFWSALSSQLQQRCSSEVADANTTRNTAASHKLHSIVEFLLRSLDSSADPEASYALEALYHLLPAVAALSGPQALQTMSTRLEERVGGLLITASAQRTEALFQQVPYLLATLGQLLTLLPSVSPRQQAVVRELLDWVLLLYPHPKFYNREKTVPGIVLVIRALTHHPRAPHNTLPRLLSERTLELVGEAPGAAMMRLAGERISTEERLDRMATLWTRLLTTREESGAEAEAESKQRLSAAFYRACTGFCERARLEVIVKSNSEATLERILVDGVDGVQPSFPTHYSAFLSFVDFFVRLSEGLKGSGGVCRPPAEELTAWLEALVRGASAALHVSGFYTLLHRTVVGVEGVCPHSLTHQRPYTDASLASGNSDVTSDGHHENHLCVSPLLRHFLSTECLRRVHVYSDELLYQCAMCVVVGAALVGSEDRGELAGSRARACDDHRRLDAYVRAFKVVMTATPTSLQAESVAGSTNEVVCSFGSSPAILESNRQHALRVLEKKACRSPRWAAAVLPALTSALRSAEVVAAVRAPVQMLAARHGVAIAAELQHHSNEATFALLCRGEPASNGRRDSMPRWLATMQPVTVPLVPVDSALHIGYLVPLVSRLSLYGKHPAVRTAAAEVLYWCVVWVIGKKVNDWGSAVFPPLLSLASLARTSTGGSGGGGGSMVHQELHGLLMQAARWFGRSAGTPEEAELFVSVLLRGLGEREGTQRQVATEALFAYAIPPADEPQTVTPHFRAVIGRLVRMECGVSEWSRLGAAHCLHVMMRRLCKVRVPGLVCTVQAVAQGAVGCLRRCTEAPIWGAMETATCNEVQESLRWLGAYCHDIRQLENEEEQREADRFAADLVHAARAVLPALARRHTVCAITLLQTLPAVTHTNASARQVLLLSQELICEQQQRLGPAAVRSLDSTVGGCATLVALLQSGYGTETNKRAIAEAVTPVICTRADDCSVETELLRLLTVVLQAIVEEARVATHESRCISPHIVRWLLELVDVVPEQTHATHFSLLLTPTVIAQAARVMVAGAKVTVENCAGDVGEDATAGVPLRRCAPSSQLAPTARWCLELIEFLMRVAGQRRRGAQVIEDVLCAIRETSVFTVFTAASPARQLIDALSVGPSALVTGPVALAAALCQMEAPCSSGTTTLWMRIADSMKISPKTVVAMLLGLLRNSAALNATGGEEVCEGLLVLMLSEPDPALLRQHLRDLLASDAVQHNIFTSSSFAVSLEDGHGAVAVSPSSRSTSVLLSRAFDSVMNRCWQQASAALPTDRLVSALPSLTTVAMSEDALRSSSEAVSLFSLVGDWLAELQRRSLTSEHDKVLCRVCANLVAAEREMRQSTPTAAQDDGRGGARLAALLMLVQLIGPAIRTDTTLSSALCDLVLFVSKPANMCSLLASVDATEHVVWGFHVLAATMTPRPARRSLAVFPVDLRAVEMAFDFLNEVLNSALPLRWTELKTPREKTNGADVVRSGTALFAAVLPHKVQVLEVIAPLLAQESMPQRDTIVRQVHGALQALSVCQQALQLDACRCASRLLRDPRTHPGICDALTEHVLLPLLQASAEAVRLRLFEEEVRNWVTEAGRAPALGCFYMQTAAFSCLALMHRLCPLTELRGSISTAFTGRNPNTTGVELTLEVLKACRAAWQSPNTGGDDNSAEEADGDVGDSACADAPRRYRQAAFRCLLATLSQTQQAEKVFCRCFFQERSVAGWNGLFLVKRPGVAVTDLLDAVGEVQLWRDMDRCQVPELFAHLLRHFPSSSVTPGEPPEWVRHVVAVLRQPQLRLPVRMVFYEMICRHERFFGTFARCIFDGVADAVAAMAPSERAGKVIWELLALLTRWHREGSSRALAVGSAASLKALARYAAVHLAWEHSFTACEGSRALDPTSHKRLAELLEQFRRAQGAALAIRSTSQPLTAAEMKMLLSHPAYERHAALEVIYLITNACGCLGCTGDSREVVEVYDLLGAFLGASASPQLYHITARLVGLEHRLLSEAATREPSSAVRKLLRDALRGTVCAILSVCKSDKKFLEVLEAMQEDRSGDLVYQLLSRTDLLRRYSIRKDSEKLLTLRVLARAGTYVADNYDSIHVCLSGLLRGGQGEPLLGICTVVKNALPHMSMESVRHVLRDLCCLDVLQAMESAEPARIAFYKMGLAALRRWTVVREDQEKQDGGGSVSADAEAFLVRRGLRDASPAVQGAVLEYLDVHAQHVPDTMWGRLTCLFTAEDGASGDGHSGSGGWVRHVALLLLSLSKRSRDFANPTYFCPEALHSEGASPTLATSADTAAESSVAQRQPRSAPLFSEAVQCGSPAEAATANAACPITAALAQIYVPPALVPQPPHQQQQPLSGARRPRATGAWRLGAAPCAAATAVTRSWLRLESGDSEQENAVISAGVMASRQISATMQRNAAHGAALQAGRSVMNAPSAAPSLESNTAGRLSEVRLTLQSLLVPLQVLCLHEDEVAARVLIDLISNAAVASPVTSESPHIVSLCSALTSLLPKFQSGATTRQCELAKNPFTLFVALELLLHAQAAGWSSLASLDCAALVRLTSDVQAYGGSVPTAFLPVVDGTAHVVEKLLSSLQPSAARGVPTRPSLEFPALGWHAYHVAQRLRRHDDAACQAALQLFRATRRHEAPVIQLQGALDAMEVGGAAYSMRVIAKL----LEDEEKEAAAAVAT--VASPATHVSGGAFALFAAREEVL----RHYRSRASRLLLDWCGAA--SALQSATPVGAGGSGEVSVEGVRLRLRAQLQLM----CNGAASAVTAEASTASRHRTGFEWGACLMAN-GRWLDCQLHAETS-VDHLLESTASHYDSGGSSLVCGYLAANSLSQLADAAQVLRFVSTSAASSAGVALQTYLDTMPALVPL-SGAYGSLFIDDVLLIRRLIIDYHVQSTGDLLGSLQFTDNERHKLVAQIHELLGTWTV-QQCSELLLLPEKTSAIETIASKADHATLSEPTRCALELLKK--RSSLFSIAVTPRE-ASGASREEALAAFQKATGK--------DVQQRAAAGLLSPAAARQWA-ADVAQCEVEIFASIGSILSIPAGSAASVQKREIWV--STLKENLRDTIPSHVALLNALEKLLPPVSRGDGTLADMGGDAKDAARASYITAATQSLWQLYANTFLWCAQAVGDRSMQVGSGGHLPVSARVPRLLSLFALPRVAEAAAQAQWRGTWEALVML-PTLVWLPWATLLVNALLQTE---HAVLARILLRLCRERGQVLYYPINCAWRSLADLGKR-RNAGRAVDDDLTRELAELHKWHRSHRMALVAEFAAALDELVEPQHRLEVRLSEVESLVKQHEQCTRGGGGAQAEYLMAALQLYERCKSDLMDPARWGRAQLYHRRAAQVLQELDRRNAFSAEVLKSGEQFRSAKREALRQVAQTLSTLSTSASNSATRSQELRLYSERLQHALGRSATAATTTTTQLGYTSDAAEPILQPVQPTHLLHTPPDAAQQCCTLVGVADRVLVLKSKRLPKKVDIYTSAGICTYMVKGGEDLRLDQRIQEVFTFANLCLLVSPRSRLSALTIRTYAVVPVSPLVGLICWVPRTTPLQELMKEATPPDAHDAVARFCRARGKPQEILPLYKTAHITGIPEQEYKDLVYCLRQSALVESLQSIATDHCSWLGARDAFLDTNAAASMASFVLGVGDRHAGNLLVDLLNSELVAIGFGLAFGDATRKLPVLELMPFRHTPQLQRVQGVLGDDVTRCRMRHVLHVLRAERQVVEGMVAALLMPDADAIGDEESRIAGHQLDVVRRKLNLEHPAGIILRDVARNAYVTQDKDVWIGVKACLCERKRDENGEDADLTETALSALHQEDVFVQRLLRIASDPRVLGRAYAGWQAYM 5IFE Chain:C ((463-1304)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NLPFLKPDDIQYFDKLLVDVDESEEQKERKIMKLLLKIKNGTPPMRKAALRQITD-KAREFGAGPLFNQILPLLMSPTLEDQERHLLVKVIDRILYKLDDLVRPYVHKILVVIEPLLIDEDYYARVEGREIISNLAKAAGLATMISTMRPDIDNMDEYVRNTTARAFAVVASALGIPSLLPFLKAVCKSKKSWQARHTGIKIVQQIAILMGCAILPHLRSLVEIIEHGLVDEQQKVRTISALAIAALAEAATPYGIESFDSVLKPLWKGIRQHRGKGLAAFLKAIGYLIPLMDAEYANYYTREVMLILIREFQ-------------SPDEEMKKIVLKVVKQCCGTDGVEANYIKTEILPPFFKHFWQHRMALDRRNYRQLVDTTVELANKVGAAEIISRIVDDLKDEAEQYRKMVMETIEKIMGNLGAADIDHKLEEQLIDGILYAFQEQTTEDSVMLNGFGTVVNALGKRVKPYLPQICGTVLWRLNNKSAKVRQQAADLISRTAVVMKTCQE-EKLMGHLGVVLYEYLGEEYPEVLGSILGALKAIVNVIGMHKMTPPIKDLLPRLTPILKNRHEKVQENCIDLVGRIADRGAEYVSAREWMRICFELLELLKAHKKAIRRATVNTFGYIAKAIGPHDVLATLQNRVCTTVAIAIVAETCSPFTVLPALMNEYRVPELNVQNGVLKSLSFLFEYIGEMGKDYIYAVTPLLEDAL--MDRDLVHRQTASAVVQHMSLGVYGFGC-----EDSLNHLLNYVWPNVFETS--PHVIQAVMGALEGLRVAIGPCRMLQYCLQGLFHPARKVRDVYWKIYNSIYIGSQDALIAHYPRIYNDDKNTYIRYELDYIL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5IFE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 3812 -83773 -21.98 -106.04 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain C : 0.52 3D Compatibility (PKB) : -21.98 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.346

(partial model without unconserved sides chains): PDB file : Tito_5IFE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5IFE-query.scw PDB file : Tito_Scwrl_5IFE.pdb: