Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESKGGVGSSNGSGGTSSNRHPLIGQLRPIFQELESATPQTLPSIILKLEYVIEEEKDALFHRNSIKSYTANARTFPNWLNAQLRHLFEQPQTHMAGVQVLRALLPVEYV-EL--NEMTKLFSELLVRCVLET-ADYNTAVEGGEVWGLLLNN-GSSVVEGIIINCLQFSLALLMRGGHDEIFLREDVSHRGVDSEATVRSAMSPLVDSSRQGENAVLTDDDRFPKATKLSGCIFIQQLVRRVPSTIAPHVHNILECLRRAILDSNKLVRVSGGDALFYTLTISYRSTDPKFYSRWQNTFLEDAERSVMYGSDVVLHGCLLAFNAVLSATASREAEGRAVGFSNQGRK-HILQFWTFINDNLVSTS--HNSDVRAEVLNALPLLAQYDSTTFK---EISV-KHVRALAAAVFVG-----------------TEGKDERAMVFQVLARLFTVLPSLVVPFLDFMMKYIEASLTPQPLRDRCPEAVTCFATLSSVEPNAVRPFLRPLLGPLFAG------SVTEHFARDVAKICTAFPELR-STCLSKVLEATKEQLLRMRNRPRHTSASSETDHSAIVRSLNSLGSLDFTG-----YSTLQFLCDAVIRYVSDPHEEVRRSAIDLCFKLALSGCSQSPCERTAVGVVIHRGREHLGLVNTVIRKLVSAAVAD-TESDIRLHTLEHLST---EFDYSL---ALQDICTALFPALH---DHHQ-NRIAAVRLLGRLSSRNPSCILPMLRCVMVQCIMDIQLFHE----------------------------------PKRQEQAAVVLSAVVESAPAMARPYISSLLQDCV-TRLQ-EENKPVPVITALLSLVGRLARYAEDD--DVAVVAAIRPCVIRHILDSSSIQKKIEAIRALGDIIRTTKDV-DVYETNPELLRVLLSALHGGF-----------KETWPVRLDVLKLMGIIGAVDPVRAKEITRHLRDGGLSSSGAAAPAALQLSSSRGEEAIAQNVVKNVLGVLQLPCLSDDQ--CLCAVQVIANTLSLKEAASGCLTPMYRDILHTVVQQITL-QAKIRENLFGVMTHIVYLYGQHIRPYLDELISTCVGFLP-----AAERGVLVEILCLLREMRRSLREEFSPSLSLVLPPLIQTVQA-DAAHSSEPVFAFLIEMGHLLD-DHLHNVVPCVCEVASNPAYPVACRAAAADAIRHFARRLPRLVFHASRCVHCLCRVLKEMESHPLLFEQQPGASADAAQRRPAAELAAGGDTTASDVRSFVAVTLDAVRVVGRNLGSDFEKYTPLVFPLLDGYGQDGQDVKAFTLSTLRTSGRVVAPENAQAQEEETAARYRVNTQQLAQRRKAALEDNFAQLRSILLARDRETEEEWNLWLKQLAVELLRSSPSNAHGFAFALAQLHEPFARQMLHSAFAVCYAEMEPRTKEAVRALLGNVLRSDRVPSEVLQELLNLSEYMERLEMRFNPKEGSHSTYAGLLFDLKTLMGSSERCNFYAKALHYVEIQFYEATYEYERNVMRGQVRPLPPEEWSKLVQWCEKSIYLCNLLGLRESAEGMLKYIQRNFSFLTGKPPSELPLMMDAQLLEKLQWWSQSLRAYEKGLQAEPNKFSNMVGLMRSLDNLGDYGRLLESWKLFYPRITRKEASELAPYGAHAAWLLRCWDDMEKITAYMTDEGYVGTTAVFYRAVLATHKLQFHDAVPVIQNCRKRLDSTLSALVAESYDRAYGLFVGIQQLSELEEFAFVADNPQGLNHWQELWEKRLAAMAYEGWPGTLANHTLVIPLAQELEMWLRFVSLSRVHGRDRTSRDILFELLGKQTIAAALEQPRLPQPPIALAACQHFYDINERERAVELLETYLKKMDQAAPSLLDIGGGQASLAMCHAKLASWLFTVAKKKRQNVDAHYREYIRHHLEKATSLDSTNGTIWHTWARFNHDLVTHRSRGAASEVRRDEHVKHIVAAMDGYVRSVSCSQELEDMLGFLSLWFIHAALPQVQENAALQAEILQVSPTVWLKVLPQIIARLHSRDAVVSESVFQLLTIVAKAHPQALLYNLNVTLNSSVRGTESNTTEQMERKQAAQRLLGRIKEMHNHGRTMVKDAALVCQELVRCAVLWTELWFDELERAWFQWGRDKNAHNVFLVLQPLLEQLSHPNTLAESHFVAEFGELLGGACEYVEKAASTGNNVYMEDAWNRFKTAVKRMDEQINGMNSLALQLVSPRLMQSGKDLSLVVPGQYNEGGVYPRIASFQSTLRVMNSKQHPRRLYMTGTDGVLYKFLLKGHEDLRLDERVMQLLAFVNTLLEKHSAIQRRDCMIQVFSVTPLSENAGLVGWVDNCDTLHQLIKDYRVHSKYLSIEMNLMLSFNVDLDRLQVIQHVEPFEFALEQTEGADLANSLWMRAPSAESWLDRRTTYVCSLATMSMVGHILGLGDRHPSNLMIHSFSGRVVHIDFGDCFDVAQNRSAFPEKVPFRLTRMLVKAMEMGGIDGLFRHGCITVMGVLREEGSSILALLEAFVHDPLVSWWRDESEDGATASAAVASAAPSSSIPSAGAAAALGHYSQRAAYAAIGESFHKSRTAFASRTPASRSLAPRGRSFRAPQTSIASSPSAPPPLVSDRSSDILSNMSVNHTSEAKKVVNRIREKLEGREFAAWQLQASASAHAADDVGVAMKGQSEEDPMTSVSLGSAASAAPMASGEDGLSVQAQVSRLISEATSNENLCVHFQGWCPFW 3W3U Chain:A ((60-1061)) -----------------------------------------------------------------------------------------DTTVAALSAVLFRKLALKAPITHIRKEVLAQIRS-SLLK-GFLSERADSIRHKLSDAIAECVQDDLP-----AWPELLQA--------------------------------LIESLK------------SG---NPNFRESSFRILTTVPYLITA---VDINSILPIFQSGFTDASDNVKIAAVTAFVGYFKQLPKSEWSKL-GILLPSLLNSLPRFLDDGKDDALASVFESLIELVELAPKLF-------------KDMFDQIIQFTD--MVIKNKDLEPPARTTALELLTVFSENAPQMCKSNQNY-GQTLVMVTLIMMTEVSIDDDDAAEWIESDDTDDEEEVTYDHAAAALARVALKLGGE--YLAAPLFQYLQQMITST-EWRERFAAMMALSSAAAGCADVLIGEIPKILDMVIPLINDPHPRVQYGCCKVLGQISTAFSPFIQRTAHDRILPALISKLTSEC------------TSRVQTHAAAALVAFSEFASKDILEPYLDSLLTNLLVLLQSNKLYVQEQALTTIAFIAEAAKN-----------------KFIKYYDTLMPLLL-NVLKVN--SVLKGKCMECATLIGFAVGKEKFHEHSQELISILVALQNSDIDEDDALRSYLEQSWSRICRILGDDFVPLLPIVIPPLLITAKATQDVGLIEEEEAANFQQYPDWDVVQVQGKHIAIHTSVLDDKVSAMELLQSYATLLRGQFAVYVKEVMEEIALPSLDFY--LHDGVRAAGATLIPILLSCLLAAEELVLLWHKASSKLIGGLMSEPMPEITQVYHNSLVNGIKVMGDNCLSEDQLAAFTKGVSANLTDTYERMQDRDEYNEFTDEDLLDEINKSIAAVLKTTNGHY------------------------------LK-NLENIWPMINTFLLDNEPI-LVIFALVVIGDLIQYGGE-----QT-ASMKNAFIPKVTECLISPDARIRQAASYIIGVCAQYAPSTYADVCIPTLDTLVQIVDPGSKLEENRSSTENASAAIAKILYAY-------VDTYTANWFKTLPTITDKEAASFNYQFLSQLIENNSQSNISAVVDSVIQALNERSLT------VISSVKKLL---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3W3U.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 : 4100 -141077 -34.41 -167.75 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -34.41 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.445

(partial model without unconserved sides chains): PDB file : Tito_3W3U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W3U-query.scw PDB file : Tito_Scwrl_3W3U.pdb: