Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESKGGVGSSNGSGGTSSNRHPLIGQLRPIFQELESATPQTLPSIILKLEYVIEEEKDALFHRNSIKSYTANARTFPNWLNAQLRHLFEQPQTHMAGVQVLRALLPVEYVELNEMTKLFSELLVRCVLETADYNTAVEGGEVWGLLLNNGSSVVEGIIINCLQFSLALLMRGGHDEIFLREDVSHRGVDSEATVRSAMSPLVDSSRQGENAVLTDDDRFPKATKLSGCIFIQQLVRRVP-STI-APHVHNILECLRRAILDS-NKLVRVSGGDALFYTLTISYRSTDPKFYSRWQNTFLEDAERSVMYGSDVVLHGCLLAFNAVLSATASREAEGRAVGFSNQGRKHILQFWTFINDNLVSTSHNSDVRAEVLNALPLLAQYDSTTF----KEISV-KHVRALAAAVFVGTEGKDERAMVFQVLARLFTVLPSLVVPFLDFMMKYIEASLTPQ-PLRDRCPEAVTCFATLSSVEPNAV---RPFLRPLLGPLFAG-------------------------SVTEHFARDVAKICTAFPELRSTCLSKVLEATKEQLLRMRNRPRHTSASSETDHSAIVRSLNSLGSLDFTG----YSTLQFLCDAVIRYVSDPHEEVRRSAIDLCFKLALSGCSQSPCERTAVGVVIHRGREHLGLVNTVIRKLVSAAVADTESDIRLHTLEHLSTEF---DY-SL--ALQDICTALFPALHDHHQ-NRIAAVRLLGRLSSRNPSCILPMLRCVMVQCIMDIQLFHEPKRQEQAAVVLSAVVESAP-AMARPYISSLLQDCVTRLQEE-NKPVPVITALLSLVGRLARYAEDDDVAVVAAIRPCVIRHILDSSSI----------------------------------QKKIEAIRALGDIIRTTKDV-DVYETNPELLRVLL-SALHGGFKETWPVRLDVLKLMGIIGAVDPVRAKEITRHLRDGGLSSSGAAAPAALQLSSSRGEEAIAQNVVKNVLGVL-QLPCLSDDQ--CLCAVQVIANTLSLKEAASGCL-TPMYRDILHTVVQQITL---------------QAKIRENLFGVMTHIVYLYGQHIRPYLDELISTCVGFLPAAERGVLVEILCLLREMRRSLREEFSPSLSLVLPPLIQTVQADAAHSSEPVFAFLIEMGHLLD----DHLHNVVPCVCEVASNP----AYPVACRAAAADAIRHFARRLPRLVFHASRCVHCLCRVLKEMESHPLLFEQQPGASADAAQRRPAAELAAGGDTTASDVRSFVAVTLDAVRVVGRNLGSDFE-KYTPLVFPLLDGYGQDGQDVKAFTLSTLRTSGRVVAPENAQAQEEETAARYRVNTQQLAQRRKAALEDNFAQLRSILLARDRETEEEWNLWLKQLAVELLRSSPSNAHGFAFALAQLHEPFARQMLHSAFAVCYAEMEPRTKEAVRALLGNVLRSDRVPSEVLQELLNLSEYMERLEMRFNPKEGSHSTYAGLLFDLKTLMGSSERCNFYAKALHYVEIQFYEATYEYERNVMRGQVRPLPPEEWSKLVQWCEKSIYLCNLLGLRESAEGMLKYIQRNFSFLTGKPPSELPLMMDAQLLEKLQWWSQSLRAYEKGLQAEPNKFSNMVGLMRSLDNLGDYGRLLESWKLFYPRITRKEASELAPYGAHAAWLLRCWDDMEKITAYMTDEGYVGTTAVFYRAVLATHKLQFHDAVPVIQNCRKRLDSTLSALVAESYDRAYGLFVGIQQLSELEEFAFVADNPQGLNHWQELWEKRLAAMAYEGWPGTLANHTLVIPLAQELEMWLRFVSLSRVHGRDRTSRDILFELLGKQTIAAALEQPRLPQPPIALAACQHFYDINERERAVELLETYLKKMDQAAPSLLDIGGGQASLAMCHAKLASWLFTVAKKKRQNVDAHYREYIRHHLEKATSLDSTNGTIWHTWARFNHDLVTHRSRGAASEVRRDEHVKHIVAAMDGYVRSVSCSQELEDMLGFLSLWFIHAALPQVQENAALQAEILQVSPTVWLKVLPQIIARLHSRDAVVSESVFQLLTIVAKAHPQALLYNLNVTLNSSVRGTESNTTEQMERKQAAQRLLGRIKEMHNHGRTMVKDAALVCQELVRCAVLWTELWFDELERAWFQWGRDKNAHNVFLVLQPLLEQLSHPNTLAESHFVAEFGELLGGACEYVEKAASTGNNVYMEDAWNRFKTAVKRMDEQINGMNSLALQLVSPRLMQSGKDLSLVVPGQYNEGGVYPRIASFQSTLRVMNSKQHPRRLYMTGTDGVLYKFLLKGHEDLRLDERVMQLLAFVNTLLEKHSAIQRRDCMIQVFSVTPLSENAGLVGWVDNCDTLHQLIKDYRVHSKYLSIEMNLMLSFNVDLDRLQVIQHVEPFEFALEQTEGADLANSLWMRAPSAESWLDRRTTYVCSLATMSMVGHILGLGDRHPSNLMIHSFSGRVVHIDFGDCFDVAQNRSAFPEKVPFRLTRMLVKAMEMGGIDGLFRHGCITVMGVLREEGSSILALLEAFVHDPLVSWWRDESEDGATASAAVASAAPSSSIPSAGAAAALGHYSQRAAYAAIGESFHKSRTAFASRTPASRSLAPRGRSFRAPQTSIASSPSAPPPLVSDRSSDILSNMSVNHTSEAKKVVNRIREKLEGREFAAWQLQASASAHAADDVGVAMKGQSEEDPMTSVSLGSAASAAPMASGEDGLSVQAQVSRLISEATSNENLCVHFQGWCPFW 3W3U Chain:A ((60-1040)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DTTVAALSAVLFRKLALKAPITHIRKEVLAQIRSSLLKGFLSERADSIRHKLSDAIAECVQDDLP---A------WPELLQALIESLKSGNPNFRESSFRILTTVPYLITAV---------------DINSILPIFQ--SGFTDASDNVKIAAVTAFVGYFKQLPKSEWSKLGIL-LPSLLNSLPRFLDDG-K-DDALASVFESLIELVELAPKLFKDMFDQIIQFTDMVIKNKDLEPPARTTALELLTVFSENAPQMCKSNQNYGQTLVMVTLIMMTEVSIDDDDAAEWIESDDTDDEEEVTYDHAAAALARVALKLGG--EYLAAPLFQYLQQMITS-------------TEWRERFAAMMALSSAAAGCADVLIGEIPKILDMVIPLINDPHPRVQYGCCKVLGQISTAFSP---F-------------IQRTAHDRILPALISKLTSECTSRVQTHAAAALVAFSEFASKDILEPYLDSLLTNLLVLLQSNKLYVQEQALTTIAFIAEAAKNKFIKYYDTLMPLLLNVLKVN--SVLKGKCMECATLIGFAVGKEKFHEHSQELISILVALQNSDIDEDDALRSYLEQSWSRICRILGDDFVPLLPIVIPPLLITAKATQDVGLIEEEEAANFQQYPDWDVVQVQGKHIAIHTSVLDDKVSAMELLQSYATLLRGQFAVYV--KEVMEEIALPSLDFY--LHDGVRAAGATLIPILLSCLLAA-----------------------------EELVLLWHKASSKLIGGLMSEPMPE-ITQVYHNSLVNGIKVMGD-----NCLSEDQLAAFTKGVSANLTDTYERMQDRDEYNEFTDEDLLDEINKSIAAVLKTTNGHYLKNLENIWPMINTFLLDNEPILVIFALVVIGDLIQYGGEQTASMKNAFIPKVTECLISPDARIRQAASYIIGVCAQYAPSTYADVCIPTLDTLVQIVD-PGSKLEENRSSTENASAAIAKIL-YAY-----VDTYTANWFKTLPTI---------------------------------TD--KEAASFNYQFLSQLIENNS----QSNISAVVD-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

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 : 3962 -189486 -47.83 -231.64 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -47.83 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.455

(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: