Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESKGGVGSSNGSGGTSSNRHPLIGQLRPIFQELESATPQTLPSIILKLEYVIEEEKDALFHRNSIKSYTANARTFPNWLNAQLRHLFEQPQTHMAGVQVLRALLPVEYVELNEMTKLFSELLVRCVLETADYNTAVEGGEVWGLLLNNGSSVVEGIIINCLQFSLALLMRGGHDEIFLREDVSHRGVDSEATVRSAMSPLVDSSRQGENAVLTDDDRFPKATKLSGCIFIQQLVRRVPSTIAPHVHNILECLRRAILDSNKLVRVSGGDALFYTLTISYRSTDPKFYSRWQNTFLEDAERSVMYGSDVVLHGCLLAFNAVLSATASREAEGRAVGFSNQGRKHILQFWTFINDNLVSTSHNSDVRAEVLNALPLLAQYDSTTFKEISVKHVRALAAAVFVGTEGKDERAMVFQVLARLFTVLPSLVVPFLDFMMKYIEASLTPQPLRDRCPEAVTCFATLSSVEPNAVRPFLRPLLGPLFAGSVTEHFARDVAKICTAFPELRSTCLSKVLEATKEQLLRMRNRPRHTSASSETDHSAIVRSLNSLGSLDFTGYSTLQFLCDAVIRYVSDPHEEVRRSAIDLCFKLALSGCSQSPCERTAVGVVIHRGREHLGLVNTVIRKLVSAAVADTESDIRLHTLEHLSTEFDYSLALQDICTALFPALHDHHQNRIAAVRLLGRLSSRNPSCILPMLRCVMVQCIMDIQLFHEPKRQEQAAVVLSAVVESAPAMARPYISSLLQDCVTRLQEENKPVPVITALLSLVGRLARYAEDDDVAVVAAIRPCVIRHILDSSSIQKKIEAIRALGDIIRTTKDVDVYETNPELLRVLLSALHGGFKETWPVRLDVLKLMGIIGAVDPVRAKEITRHLRDGGLSSSGAAAPAALQLSSSRGEEAIAQNVVKNVLGVLQLPCLSDDQCLCAVQVIANTLSLKEAASGCLTPMYRDILHTVVQQITLQAKIRENLFGVMTHIVYLYGQHIRPYLDELISTCVGFLPAAERGVLVEILCLLREMRRSLREEFSPSLSLVLPPLIQTVQADAAHSSEPVFAFLIEMGHLLDDHLHNVVPCVCEVASNPAYPVACRAAAADAIRHFARRLPRLVFHASRCVHCLCRVLKEMESHPLLFEQQPGASADAAQRRPAAELAAGGDTTASDVRSFVAVTLDAVRVVGRNLGSDFEKYTPLVFPLLDGYGQDGQDVKAFTLSTLRTSGRVVAPENAQAQEEETAARYRVNTQQLAQRRKAALEDNFAQLRSILLARDRETEEEWNLWLKQLAVELLRSSPSNAHGFAFALAQLHEPFARQMLHSAFAVCYAEMEPRTKEAVRALLGNVLRSDRVPSEVLQELLNLSEYMERLEMRFNPKEGSHSTYAGLLFDLKTLMGSSERCNFYAKALHYVEIQFYEATYEYERNVMRGQVRPLPPEEWSKLVQWCEKSIYLCNLLGLRESAEGMLKYIQRNFSFLTGKPPSELPLMMDAQLLEKLQWWSQSLRAYEKGLQAEPNKFSNMVGLMRSLDNLGDYGRLLESWKLFYPRITRKEASELAPYGAHAAWLLRCWDDMEKITAYMTDEGYVGTTAVFYRAVLATHKLQFHDAVPVIQNCRKRLDSTLSALVAESYDRAYGLFVGIQQLSELEEFAFVADNPQGLNHWQELWEKRLAAMAYEGWPGTLANHTLVIPLAQELEMWLRFVSLSRVHGRDRTSRDILFELLGKQTIAAALEQPRLPQPPIALAACQHFYDINERERAVELLETYLKKMDQAAPSLLDIGGGQASLAMCHAKLASWLFTVAKKKRQNVDAHYREYIRHHLEKATSLDSTNGTIWHTWARFNHDLVTHRSRGAASEVRRDEHVKHIVAAMDGYVRSVSCSQ--ELEDMLGFLSLWFIHAALPQVQENAALQAEILQVSPTVWLKVLPQIIARLHSRDAVVSESVFQLLTIVAKAHPQALLYNLNVTLNSSVRGTESNTTEQMERKQAAQRLLGRIKEMHNHGRTMVKDAALVCQELVRCAVLWTELWFDELERAWFQWGRDKNAHNVFLVLQPLLEQLSHPNTLAESHFVAEFGELLGGACEYVEKAASTGNNVYMEDAWNRFKTAVKRMDEQINGMNSLALQLVSPRLMQSGKDLSLVVPGQYNEGGVYPRIASFQSTLRVMNSKQHPRRLYMTGTDGVLYKFLLKGHEDLRLDERVMQLLAFVNTLLEKHSAIQRRDCMIQVFSVTPLSENAGLVGWVDNCDTLHQLIKDYRVHSKYL-SIEMNLMLSFNVDLDRLQVIQHVEPFEFALEQTEGADLANSLWMRAPSAESWLDRRTTYVCSLATMSMVGHILGLGDRHPSNLMIHSFSGRVVHIDFGDCFDVAQNRSAFPEKVPFRLTRMLVKAMEMGGIDGLFRHGCITVMGVLREEGSSILALLEAFVHDPLVSW-WRDESEDGATASAAVASAAPSSSIPSAGAAAALGHYSQRAAYAAIGESFHKSRTAFASRTPASRSLAPRGRSFRAPQTSIASSPSAPPPLVSDRSSDILSNMSVNHTSEAKKVVNRIREKLEGREFAAWQLQASASAHAADDVGVAMKGQSEEDPMTSVSLGSAASAAPMASGEDGLSVQAQVSRLISEATSNENLCVHFQGWCPFW 3JBZ Chain:A ((496-1165)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YTVPAVQGFFRSISLSRGNNLQDTLRVLTLWFDYGHWPDV--NEALVEGVKAIQIDTWLQVIPQLIARIDTPRPLVGRLIHQLLTDIGRYHPQALIYPLTV-------ASKSTTTA---RHNAANKIL---KNMCEHSNTLVQQAMMVSEELIRVA-------------------------------------------------------------------------------------------------TSLELQYVSPKLLMC-RDLELAVPGTYDPNQPIIRIQSIAPSLQVITSKQRPRKLTLMGSNGHEFVFLLKGHEDLRQDERVMQLFGLVNTLLANDPTSLRKNLSIQRYAVIPLSTNSGLIGWVPHCDTLHALIRDYREKKKILLNIEHRIMLRMAPDYDHLTLMQKVEVFEHAVNNTAGDDLAKLLWLKSPSSEVWFDRRTNYTRSLAVMSMVGYILGLGDRHPSNLMLDRLSGKILHIDFGDCFEVAMTREKFPEKIPFRLTRMLTNAMEVTGLDGNYRITCHTVMEVLREHKDSVMAVLEAFVYDPLLNWRLMDTNT----------------------------------------------------------------------------------AL----------------NKKAIQIINRVRDKLTGRDF---------------------------------------------SHDDTLDVPTQVELLIKQATSHENLCQCYIGWCPFW

General information: TITO was launched using: RESULT: Template: 3JBZ.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 : 2500 -57688 -23.08 -112.45 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -23.08 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.510

(partial model without unconserved sides chains): PDB file : Tito_3JBZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3JBZ-query.scw PDB file : Tito_Scwrl_3JBZ.pdb: