Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESKGGVGSSNGSGGTSSNRHPLIGQLRPIFQELESATPQTLPSIILKLEYVIEEEKDALFHRNSIKSYTANARTFPNWLNAQLRHLFEQPQTHMAGVQVLRALLPVEYVELNEMTKLFSELLVRCVLETADYNTAVEGGEVWGLLLNNGSSVVEGIIINCLQFSLALLMRGGHDEIFLREDVSHRGVDSEATVRSAMSPLVDSSRQGENAVLTDDDRFPKATKLSGCIFIQQLVRRVPSTIAPHVHNILECLRRAILDSNKLVRVSGGDALFYTLTISYRSTDPKFYSRWQNTFLEDAERSVMYGSDVVLHGCLLAFNAVLSATASREAEGRAVGFSNQGRKHILQFWTFINDNLVSTSHNSDVRAEVLNALPLLAQYDSTTFKEISV--KHVRALAAAVFVGTEGKDERAMVFQVLARLFTVLP-SLVVPFLDFMMKYIEASLTPQPLRDRCPEAVTCFATLSSVEPNA-----VRPFLRPLLGPLFAG------SVTEHFARDVAKICTAFPELRSTCLSKVLEATKEQLLRMRNRPRHTSASSETDHSAIVRSLNSLGSLDFTG----YSTLQFLCDAVIRYVSDPHEEVRRSAIDLCFKLALSGCSQSPCERTAVGVVIHRGREHLGLVNTVIRKLVSAAVA-----------DTESDIRLHTLEHLST---EFDYSLALQDICTALFPALHDHHQ-NRIAAVRLLGRLSSRNPSCILPMLRCVMVQCIMDIQLFHEPKRQEQAAVVLSAVVESAPA-MARPYISSLLQDCVTRLQEENKPVPVITALLSLVGRLARYAEDDDVAVVAAIRPCVIRHILDSSSIQKKIEAIRALGDIIRTTKDV-DVYETNPELLRVLLSALHGGFKETWPVRLDVLKLMGIIGAVDPVRAKEITRHLRDGGLSSSGAAAPAALQLSSSRGEEAIAQNVVKNVLGVLQL-----------------PCLSDDQ--CLCAVQVIANTLSLKEAASGCLTPMYR--DILHTVVQQITL-QAKIRENLFGVMTHIVYLYGQHIRPYLDELISTCVGFLPAAERGVLVEILCLLREMRRSLREEFSPSLSLVLPPLIQTVQAD--AAHSSEPVFAFLIEMGHLLD----DHLHNVVPCVCEVASNPAYPVACRAAAADAIRHFARRLPR--LVFHASRCVHCLCRVLKEMESHPLLFEQQPGASADAAQRRPAAELAAGGDTTASDVRSFVAVTLDAVRVVGRNLGSDFEKYTPLVFPLLDGYGQDGQDVKAFTLSTLRTSGRVVAPENAQAQEEETAARYRVNTQQLAQRRKAALEDNFAQLRSILLARDRETEEEWNLWLKQLAVELLRSSPSNAHGFAFALAQLHEPFARQMLHSAFAVCYAEMEPRTKEAVRALLGNVLRSDRVPSEVLQELLNLSEYMERLEMRFNPKEGSHSTYAGLLFDLKTLMGSSERCNFYAKALHYVEIQFYEATYEYERNVMRGQVRPLPPEEWSKLVQWCEKSIYLCNLLGLRESAEGMLKYIQRNFSFLTGKPPSELPLMMDAQLLEKLQWWSQSLRAYEKGLQAEPNKFSNMVGLMRSLDNLGDYGRLLESWKLFYPRITRKEASELAPYGAHAAWLLRCWDDMEKITAYMTDEGYVGTTAVFYRAVLATHKLQFHDAVPVIQNCRKRLDSTLSALVAESYDRAYGLFVGIQQLSELEEFAFVADNPQGLNHWQELWEKRLAAMAYEGWPGTLANHTLVIPLAQELEMWLRFVSLSRVHGRDRTSRDILFELLGKQTIAAALEQPRLPQPPIALAACQHFYDINERERAVELLETYLKKMDQAAPSLLDIGGGQASLAMCHAKLASWLFTVAKKKRQNVDAHYREYIRHHLEKATSLDSTNGTIWHTWARFNHDLVTHRSRGAASEVRRDEHVKHIVAAMDGYVRSVSCSQELEDMLGFLSLWFIHAALPQVQENAALQAEILQVSPTVWLKVLPQIIARLHSRDAVVSESVFQLLTIVAKAHPQALLYNLNVTLNSSVRGTESNTTEQMERKQAAQRLLGRIKEMHNHGRTMVKDAALVCQELVRCAVLWTELWFDELERAWFQWGRDKNAHNVFLVLQPLLEQLSHPNTLAESHFVAEFGELLGGACEYVEKAASTGNNVYMEDAWNRFKTAVKRMDEQINGMNSLALQLVSPRLMQSGKDLSLVVPGQYNEGGVYPRIASFQSTLRVMNSKQHPRRLYMTGTDGVLYKFLLKGHEDLRLDERVMQLLAFVNTLLEKHSAIQRRDCMIQVFSVTPLSENAGLVGWVDNCDTLHQLIKDYRVHSKYLSIEMNLMLSFNVDLDRLQVIQHVEPFEFALEQTEGADLANSLWMRAPSAESWLDRRTTYVCSLATMSMVGHILGLGDRHPSNLMIHSFSGRVVHIDFGDCFDVAQNRSAFPEKVPFRLTRMLVKAMEMGGIDGLFRHGCITVMGVLREEGSSILALLEAFVHDPLVSWWRDESEDGATASAAVASAAPSSSIPSAGAAAALGHYSQRAAYAAIGESFHKSRTAFASRTPASRSLAPRGRSFRAPQTSIASSPSAPPPLVSDRSSDILSNMSVNHTSEAKKVVNRIREKLEGREFAAWQLQASASAHAADDVGVAMKGQSEEDPMTSVSLGSAASAAPMASGEDGLSVQAQVSRLISEATSNENLCVHFQGWCPFW 4FDD Chain:A ((59-827)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SEDEPTRSLSGLILKNNVKAHFQNFPNG-VTDFIKSECLNNIGDS-S-PLIRATVGILITTIASKGELQNWPDLLPKLCSLLDSED-----YNTCEGAFGALQKICEDSAEILDSDVLDRPLNIMIPKFLQFFKHSSPKIRSHAVACVNQFIISRTQALMLHIDSFIENLFALAGD---------E----EPEVRKNVCRALVMLLEVRMDRLLPHMHNIVEYMLQRTQDQDENVALEACEFWLTLAEQPIC---------------KDVLVRHLPKLIPVLVN-GMKYSDIDIILLKG-SDWNLRKCSAAALDVLANVYRDE-LLPHILPLLKELLFHHEWVVKESGILVLGAIAEGCMQGMIPYLPELIPHLIQCLS-DKKALVRSITCWTLSRYAHWVVSQPPDTYLKPLMTELLKRILD--SNKRVQEAACSAFATLEEEACTELVPYLAYILDTLVFAFSKY-QHKNLLILYDAIGTLADSVGHHLNKPEYIQMLMPPLIQKWNML-KDEDKDLFPLLECLSSVATALQSGFLPYC-------------------------------EPVYQRCVNLVQKTLAQAMLNNAQPDQYEAPDKD-FMIVALDLLSGLAEGLGG-----NI-EQLVARSNILTLMYQCMQDKMPEVRQSSFALLGDLTKACFQHVKPCIADFMPILGTNLNPEFISVCNNATWAIGEISIQMGIEMQPYIPMVLHQLVEIINRPNTPKTLLENTAITIGRLGYVCPQEVAPMLQQFIRPWCTSLRNI-RDNEEKDSAFRGICTMI-SVNPSGVIQDFIFFCDAVASWINPK-------------------------------------DDLRDMFCKILHGFKNQVG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4FDD.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 : 3308 -209380 -63.29 -302.57 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -63.29 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.432

(partial model without unconserved sides chains): PDB file : Tito_4FDD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FDD-query.scw PDB file : Tito_Scwrl_4FDD.pdb: