Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESKGGVGSSNGSGGTSSNRHPLIGQLRPIFQELESATPQTLPSIILKLEYVIEEEKDALFHRNSIKSYTANARTFPNWLNAQLRHLFEQPQTHMAGVQVLRALLPVEYVELNEMTKLFSELLVRCVLETADYNTAVEGGEVWGLLLNNGSSVVEGIIINCLQFSLALLMRGGHDEIFLREDVSHRGVDSEATVRSAMSPLVDSSRQGENAVLTDDDRFPKATKLSGCIFIQQLVRRVPSTIAPHVHNILECLRRAILDSNKLVRVS---GGDALFYTLTISYRSTDPKFYSRWQNTFLEDAERSVMYGSDVVLHGCLLAFNAVLSATASREAEGRAVGFSNQGRKHILQFWTFINDNLVSTSHNSDVRAEVLNALPLLAQYDSTTFKEISVKHVRALAAAVFVGTEGKDERAMVFQVLARLFTVLPSLVVPFLDFMMKYIEASLTPQPLRDRCPEAVTCFATLSSVEPNAVRPFLRPLLGPLFAGSVTEHFARDVAKICTAFPELRSTCLSKVLEATKEQLLRMRNRPRHTSASSETDHSAIVRSLNSLGSLDFTGYSTLQFLCDAVIRYVSDPHEEVRRSAIDLCFKLALSGCSQSPCERTAVGVVIHRGREHLGLVNTVIRKLVSAAVADTESDIRLHTLEHLSTEFDYSLALQDICTALFPALHDH-HQNRIAAVRLLGRLSSRNPSCILPMLRCVMVQCIMDIQLFHEPKRQEQAAVVLSAVVESAPAMARPYISSLLQDCVTRLQE-ENKPVP-VITALLSLVGRLARYAEDDDVAVVAAIRPCVIRHILDSSSIQKKIEAIRALGDIIRTTKD-VDVYETNPELLRVLLSALHGGFKETWPVRLDVLKLMGIIGAVDP------VRAKEITRHLRDGGLSSSGAAAPA--ALQLSSSRGEEAIAQNVVKNVLGVLQLPCLSDDQCLCAVQVIANTLSLKEAASGCLTPMYRDILHTVVQQITLQAK-IRENLFGVMTHIVYLYGQHIRPYLDELISTCVGFLPAAERGVLVEILCLLREMRRSLREEFSPSLSLVLPPLIQTVQADAAHS---SEPVFAFLIEMGHLLDDHLHNVVPCVCEVASNPAYPVACRAAAADAIRHFARRLPRLVFHASRCVHCLCRVLKEMESHPLLFEQQPGASADAAQRRPAAELAAGGDTTASDVRSFVAVTLDAVRVVGRNLGSDFEKYTPLVFPLLDGYGQDGQDVKAFTLSTLRTSGRVVAPENAQAQEEETAARYRVNTQQLAQRRKAALEDNFAQLRSILLARDRETEEEWNLWLKQLAVELLRSSPSNAHGFAFALAQLHEPFARQMLHSAFAVCYAEMEPRTKEAVRALLGNVLRSDRVPSEVLQELLNLSEYMERLEMRFNPKEGSHSTYAGLLFDLKTLMGSSERCNFYAKALHYVEIQFYEATYEYERNVMRGQVRPLPPEEWSKLVQWCEKSIYLCNLLGLRESAEGMLKYIQRNFSFLTGKPPSELPLMMDAQLLEKLQWWSQSLRAYEKGLQAEPNKFSNMVGLMRSLDNLGDYGRLLESWKLFYPRITRKEASELAPYGAHAAWLLRCWDDMEKITAYMTDEGYVGTTAVFYRAVLATHKLQFHDAVPVIQNCRKRLDSTLSALVAESYDRAYGLFVGIQQLSELEEFAFVADNPQGLNHWQELWEKRLAAMA--YEGWPGTLANHTLVIPLAQELEMWLRFVSLSRVHGRDRTSRDILFELLGKQTIAAALEQPRLPQPPIALAACQHFYDINERERAVELLETYLKKMDQAAPSLLDIGGGQAS------LAMCHAKLASWLFTVAKKKRQNVDAHYREYIRHHLEKATSLDSTNGTIWHTWARFNHDLVTHRSRG--------AASEVRRDEHVKHIVAAMDGYVRSVSCSQE--LEDMLGFLSLWFIHAALPQVQENAALQAEILQVSPTVWLKVLPQIIARLHSRDAVVSESVFQLLTIVAKAHPQALLYNLNVTLNSSVRGTESNTTEQMERKQAAQRLLGRIKEMHNHGRTMVKDAALVCQELVRCAVLWTELWFDELERAWFQWGRDKNAHNVFLVLQPLLEQLSH-PNTLAESHFVAEFGELLGGACEYVEKAASTGNNVYMEDAWNRFKTAVKRMDEQINGMNSLALQLVSPRLMQSGKDLSLVVPGQYNEGGVYPRIASFQSTLRVMNSKQHPRRLYMTGTDGVLYKFLLKGHEDLRLDERVMQLLAFVNTLLEKHSAIQRRDCMIQVFSVTPLSENAGLVGWVDNCDTLHQLIKDYRVHSKYL-SIEMNLMLSFNVDLDRLQVIQHVEPFEFALEQTEGADLANSLWMRAPSAESWLDRRTTYVCSLATMSMVGHILGLGDRHPSNLMIHSFSGRVVHIDFGDCFDVAQNRSAFPEKVPFRLTRMLVKAMEMGGIDGLFRHGCITVMGVLREEGSSILALLEAFVHDPLVSWWRDESEDGATASAAVASAAPSSSIPSAGAAAALGHYSQRAAYAAIGESFHKSRTAFASRTPASRSLAPRGRSFRAPQTSIASSPSAPPPLVSDRSSDILSNMSVNHTSEAKKVVNRIREKLEGREFAAWQLQASASAHAADDVGVAMKGQSEEDPMTSVSLGSAASAAPMASGEDGLSVQAQVSRLISEATSNENLCVHFQGWCPFW 5H64 Chain:A ((210-2549)) -----------------------VAALRACLILTTQREPKEMQ------------------------------------KPQWYRHTFEEAEK-------------------------------------------------------------------------------GFDETLAKEKGMNRD-----------------------------------DRIHGALLILNELVRISSMEGERLREEMEEITQQQLVHDKYCKDLMGFGTKPRHITPFTSFQAVQPQQSNALVGLLGYSSHQG------------LMGFGTSPSPAKSTLVESRCCRDLMEEKFDQVCQWVLKCRN----SKNSLIQMTILNLLPRLAAFRPSAFTDTQYL------------QDTMNHVLSCVKVLYDLSRQIPQLKKDIQDGLLKMLSLVLMHKPLRHP---------------------------------------------------------------GMPKGLAHQLASPGLTTLPEASDVGSITLALRTLGSFEFEGHSLTQFVRHCADHFLNSEHKEIRMEAARTCSRL------LTPSIHLISGHAHVVSQTAVQVVADVLSKLLVVGITDPDPDIRYCVLASLDERFDAHLAQAENLQALFVALNDQVFEIRELAICTVGRLSSMNPAFVMPFLRKMLIQILTELEHSGIGRIKEQSARMLGHLVSNAPRLIRPYMEPILKALILKLKDPDPDPNPGVINNVLATIGELAQVSGLEMRKWVDELFIIIMDMLQDSSLLAKRQVALWTLGQLVASTGYVVEPYRKYPTLLEVLLNFLKT--EQNQGTRREAIRVLGLLGALDPYKHKVNIGMIDQSRDASAVSLSESKSSQDSSMLVNMGNLPLDEFYPAVSMVALMRIFRDQSLSHHHTMVVQAITFIFKSLGLKCVQFL----PQVMPTFLNVIRVCDGAIREFLFQQLGMLVSFVKSHIRPYMDEIVTLMREFWVMNTS-IQSTIILLIEQIVVALGGEFKLYLPQLIPHMLRVFMHDNSPGRIVSIKLLAAIQLFGANLDDYLHLLLPPIVKLFDAPEAPLPSRKAALETVDRLTESL-DFTDYASRIIHPIVRTLD-----------QSPELRSTAMDTLSSLVFQ--------------------------LGKKYQIFIPMVNKVLVRHRINHQ--------------RYDVLICRIVKGYTLMKKLHVSTINLQKAWGAA---------------RRVSKDDWLEWLRRLSLELLKDSSSPSLRSCWALAQAYNPMARDLFNAAFVSCWSELNEDQQDELIRSIELALTSQDIA-EVTQTLLNLAEFMEHSDKGPLPLRDD--------NGIVLLGERAAKCRAYAKALHYKELEFQKGP---------------TPAILESLISINNK-------LQQPEAAAGVLEYAMKHFG----------ELEIQATWYEKLHEWEDALVAYDKKMDTNKDDPELMLGRMRCLEALGEWGQLHQQCCEKWTLVNDETQAKMARMAAAAAWGLGQWDSMEEYTCMIPRDT---HDGAFYRAVLALHQDLFSLAQQCIDKARDLLDAELTAMAGESYSRAYGAMVSCHMLSELEEVIQYKLVPERREIIRQIWWERLQGCQRIVEDWQKILMVRSLVVSPHEDMRTWLKYASLCGKSGRLALAHKTLVLLLGVDPSRQLDHPLPTVHPQVTYAYMKNMWKSARKIDAFQHMQHFVQTMQQQAQHAIATEDQQHKQELHKLMARCFLKLGEWQLNLQ-----GINESTIPKVLQYYSAATEHDRSWYKAWHAWAVMNFEAVLHYKHQNQARDEKKKVTEDLSKTLLMYTVPAVQGFFRSISLSRGNNLQDTLRVLTLWFDYGHWPDVNE--ALVEGVKAIQIDTWLQVIPQLIARIDTPRPLVGRLIHQLLTDIGRYHPQALIYPLTVASKST----------TTARHNAANKIL---KNMCEHSNTLVQQAMMVSEELIRVAILWHEMWHEGLEEASRLYFGERNVKGMFEVLEPLHAMMERGPQTLKETSFNQAYGRDLMEAQEWCRKYMKSGNVKDLTQAWDLYYHVFRRISKQLPQLTSLELQYVSPKLLMC-RDLELAVPGTYDPNQPIIRIQSIAPSLQVITSKQRPRKLTLMGSNGHEFVFLLKGHEDLRQDERVMQLFGLVNTLLANDPTSLRKNLSIQRYAVIPLSTNSGLIGWVPHCDTLHALIRDYREKKKILLNIEHRIMLRMAPDYDHLTLMQKVEVFEHAVNNTAGDDLAKLLWLKSPSSEVWFDRRTNYTRSLAVMSMVGYILGLGDRHPSNLMLDRLSGKILHIDFGDCFEVAMTREKFPEKIPFRLTRMLTNAMEVTGLDGNYRITCHTVMEVLREHKDSVMAVLEAFVYDPLLNW-------------------------------------------------------------------------------------------------RLMDTNTALNKKAIQIINRVRDKLTGRDF---------------------------------------------SHDDTLDVPTQVELLIKQATSHENLCQCYIGWCPFW

General information: TITO was launched using: RESULT: Template: 5H64.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 : 10284 -154800 -15.05 -75.07 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -15.05 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.339

(partial model without unconserved sides chains): PDB file : Tito_5H64.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5H64-query.scw PDB file : Tito_Scwrl_5H64.pdb: