Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESKGGVGSSNGSGGTSSNRHPLIGQLRPIFQELESATPQTLPSIILKLEYVIEEEKDALFHRNSIKSYTANARTFPNWLNAQLRHLFEQPQTHMAGVQVLRALLPVEYV-EL--NEMTKLFSELLVRCVLET-ADYNTAVEGGEVWGLLLNN-GSSVVEGIIINCLQFSLALLMRGGHDEIFLREDVSHRGVDSEATVRSAMSPLVDSSRQGENAVLTDDDRFPKATKLSGCIFIQQLVRRVPSTIAPHVHNILECLRRAILDSNKLVRVSGGDALFYTLTISYRSTDPKFYSRWQNTFLEDAERSVMYGSDVVLHGCLLAFNAVLSATASREAEGRAVGFSNQGRKHILQFWTFINDNLVSTS--HNSDVRAEVLNALPLLAQYDSTTF---KEISV-KHVRALAAAVFVGT-----------------EGKDERAMVFQVLARLFTVLPS-L-VVPFLDFMMKYIEASLTPQPLRDRCPEAVTCFATLSSVEPNAVRPFLRPLLGPLFAG------SVTEHFARDVAKICTAFPELR-STCLSKVLEATKEQLLRMRNRPRHTSASSETDHSAIVRSLNSLGSLDFTG-----YSTLQFLCDAVIRYVSDPHEEVRRSAIDLCFKLALSGCSQSPCERTAVGVVIHRGREHLGLVNTVIRKLVSAAVAD-TESDIRLHTLEHLSTE---FDYSL---ALQDICTALFPALH-DHHQ-NRIAAVRLLGRLSSRNPSCILPMLRCVMVQCIMDIQLFHE----------------------------------PKRQEQAAVVLSAVVESAPAMARPYISSLLQDCV-TRLQ-EENKPVPVITALLSLVGRLARYAEDD--DVAVVAAIRPCVIRHILDSSSIQKKIEAIRALGDIIRTTKDV-DVYETNPELLRVLLSALHGGF------------KETWPVRLDVLKLMGIIGAVDPVRAKEITRHLRDGGLSSSGAAAPAALQLSSSRGEEAIAQNVVKNVLGVLQLPCLSDDQ--CLCAVQVIANTLSLKEAASGCLTPMYRDILHTVVQQITL-QAKIRENLFGVMTHIVYLYGQHIRPYLDELISTCVGFLP----AAERGVLVEILCLLREMRRSLREEFSPSLSLVLPPLIQTVQ-ADAAHSSEPVFAFLIEMGHLLD----DHLHNVVPCVCEVASNPAYPVACRAAAADAIRHFARRLPRLVFHASRCVHCLCRVLKEMESHPLLFEQQPGASADAAQRRPAAELAAGGDTTASDVRSFVAVTLDAVRVVGRNLGSDFEKYTPLVFPLLDGYGQDGQDVKAFTLSTLRTSGRVVAPENAQAQEEETAARYRVNTQQLAQRRKAALEDNFAQLRSILLARDRETEEEWNLWLKQLAVELLRSSPSNAHGFAFALAQLHEPFARQMLHSAFAVCYAEMEPRTKEAVRALLGNVLRSDRVPSEVLQELLNLSEYMERLEMRFNPKEGSHSTYAGLLFDLKTLMGSSERCNFYAKALHYVEIQFYEATYEYERNVMRGQVRPLPPEEWSKLVQWCEKSIYLCNLLGLRESAEGMLKYIQRNFSFLTGKPPSELPLMMDAQLLEKLQWWSQSLRAYEKGLQAEPNKFSNMVGLMRSLDNLGDYGRLLESWKLFYPRITRKEASELAPYGAHAAWLLRCWDDMEKITAYMTDEGYVGTTAVFYRAVLATHKLQFHDAVPVIQNCRKRLDSTLSALVAESYDRAYGLFVGIQQLSELEEFAFVADNPQGLNHWQELWEKRLAAMAYEGWPGTLANHTLVIPLAQELEMWLRFVSLSRVHGRDRTSRDILFELLGKQTIAAALEQPRLPQPPIALAACQHFYDINERERAVELLETYLKKMDQAAPSLLDIGGGQASLAMCHAKLASWLFTVAKKKRQNVDAHYREYIRHHLEKATSLDSTNGTIWHTWARFNHDLVTHRSRGAASEVRRDEHVKHIVAAMDGYVRSVSCSQELEDMLGFLSLWFIHAALPQVQENAALQAEILQVSPTVWLKVLPQIIARLHSRDAVVSESVFQLLTIVAKAHPQALLYNLNVTLNSSVRGTESNTTEQMERKQAAQRLLGRIKEMHNHGRTMVKDAALVCQELVRCAVLWTELWFDELERAWFQWGRDKNAHNVFLVLQPLLEQLSHPNTLAESHFVAEFGELLGGACEYVEKAASTGNNVYMEDAWNRFKTAVKRMDEQINGMNSLALQLVSPRLMQSGKDLSLVVPGQYNEGGVYPRIASFQSTLRVMNSKQHPRRLYMTGTDGVLYKFLLKGHEDLRLDERVMQLLAFVNTLLEKHSAIQRRDCMIQVFSVTPLSENAGLVGWVDNCDTLHQLIKDYRVHSKYLSIEMNLMLSFNVDLDRLQVIQHVEPFEFALEQTEGADLANSLWMRAPSAESWLDRRTTYVCSLATMSMVGHILGLGDRHPSNLMIHSFSGRVVHIDFGDCFDVAQNRSAFPEKVPFRLTRMLVKAMEMGGIDGLFRHGCITVMGVLREEGSSILALLEAFVHDPLVSWWRDESEDGATASAAVASAAPSSSIPSAGAAAALGHYSQRAAYAAIGESFHKSRTAFASRTPASRSLAPRGRSFRAPQTSIASSPSAPPPLVSDRSSDILSNMSVNHTSEAKKVVNRIREKLEGREFAAWQLQASASAHAADDVGVAMKGQSEEDPMTSVSLGSAASAAPMASGEDGLSVQAQVSRLISEATSNENLCVHFQGWCPFW 3W3W Chain:A ((60-1053)) -----------------------------------------------------------------------------------------DTTVAALSAVLFRKLALKAPITHIRKEVLAQIRS-SLLK-GFLSERADSIRHKLSDAIAECVQDDLP-----AWPELLQA--------------------------------LIESLK------------SG---NPNFRESSFRILTTVPYLITA---VDINSILPIFQSGFTDASDNVKIAAVTAFVGYFKQLPKSEWSKL-GILLPSLLNSLPRFLDDGKDDALASVFESLIELVELAPKLFK------------DMFDQIIQFTD--MVIKNKDLEPPARTTALELLTVFSENAPQMCKSNQNY-GQTLVMVTLIMMTEVSIDDDDAAEWIESDDTDDEEEVTYDHARQALDRVALKLGGEYLAAPLFQYLQQMITSTE-----WRERFAAMMALSSAAEGCADVLIGEIPKILDMVIPLINDPHPRVQYGCCNVLGQISTDFSPFIQRTAHDRILPALISKLTSEC------------TSRVQTHAAAALVNFSEFASKDILEPYLDSLLTNLLVLLQSNKLYVQEQALTTIAFIAEAAKN-----------------KFIKYYDTLMPLL-LNVLKVN--SVLKGKCMECATLIGFAVGKEKFHEHSQELISILVALQNS---DALRSYLEQSWSRICRILGDDFVPLLPIVIPPLLITAKATQDVGLIEEEEAANFQQYPDWDVVQVQGKHIAIHTSVLDDKVSAMELLQSYATLLRGQFAVYVKEVMEEIALPSLDFY--LHDGVRAAGATLIPILLSCLLAAEELVLLWHKASSKLIGGLMSEPMPEITQVYHNSLVNGIKVMGDNCLSEDQLAAFTKGVSANLTDTYERMQDRDEYNEDFTDEDLLDEINKSIAAVLKTTNGHY------------------------------LK-NLENIWPMINTFLL--EPI-LVIFALVVIGDLIQY--E-----QT-ASMKNAFIPKVTECLISPDARIRQAASYIIGVCAQYAPSTYADVCIPTLDTLVQIVDGSKLEENRSSTENASAAIAKILYAYNSNIP---DTYTANWFKTLPTITDKEAASFNYQFLSQ------VCAQSNISAVVDSVIQALNERSLT------VISSVKKLL-GFL-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3W3W.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 : 4061 -129336 -31.85 -155.08 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -31.85 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.428

(partial model without unconserved sides chains): PDB file : Tito_3W3W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W3W-query.scw PDB file : Tito_Scwrl_3W3W.pdb: