Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANTSRSASQSTASSASAAHKRALVIVESPAKAKTINKYLGSQYIVKSSVGHVRDLPTGGSKATEKKPAARTKLTEAEKEQKANQALINRMGVDPEHGWQAHYEVLSGKENVVAELKKLAKDADAIYLATDLDREGEAIAWHLREVIGGDDSRYHRVVFNEITKNAIQEAFKQPTRLDLNRVNAQQARRFLDRVVGFMVSPLLWEKIARGLSAGRVQSVAVKLVVEREREIRAFIPEEYWQVFADTKAKKDDIRLEAVKQAGKTLKLKNKAETDALLDVLKGAEYKVAQREDKPTKVNPSAPYITSTLQQAASTRLGFSVKKTMMLAQRLYEA--------GFITYMRTDSTFLSDDAVSMVRAHIESQYGEKYLPAKPNRYGNKAGAQEAHEAIRPSNVALTGDQ-LAGVERDAQRLYDLIWRQFVACQMTPAEYLSSTLTVEAGNVELKAKGRTL--VFDGFTKVRGANKSDDDIILPAIKVGEILKLEKLDPSQHFTKPPARFTEASLVKELEKRGIGRPSTYAAIISTIQERGYVKLENRRLFAEKMGEIVTDRLDESFNNLMNYAFTADLEGQLDRVATGERNWKELLDTFYGDFKKRLTNAQGEQGMRRNQPVEVPAVHCPECSRPMQIRTGTTGVFLGCSGYNLPPKERCKGTLNLTPVESLAALSDDDSAETADLMSKHRCPKCGTAMDSYVIDGGRKLHVCGNNPDCDGYELEEGEFKIKGYDGPTIPCDKCDGEMQLKTGRFGPYFACTSCDNTRKVLKNGQPAPPRVEPIKMEHLRSTKHDDYFVLRDGAAGLFLAASKFPKIRETRAPKVAELRSVADQLDPKYQFILQAPDVDPEGNPTIVKFSRKNQSQYVGSETPEGKQTKWSLIYQDGKWIEG 2GAI Chain:B ((7-588)) ----------------------KYIVVESPAKAKTIKSILGNEYEVFASMGHIIDLPKSK-----------------F-GVDLE------------KDFEPEFAVIKGKEKVVEKLKDLAKK-GELLIASDMDREGEAIAWHIARVTNTL-GRKNRIVFSEITPRVIREAVKNPREIDMKKVRAQLARRILDRIVGYSLSPVLWRNFKSNLSAGRVQSATLKLVCDREREILRFVPKKYHRITVNFDGLTAE--IDVKE-----KKFFDAETLKEIQSI---DELVVEEKKVSVKKFAPPEPFKTSTLQQEAYSKLGFSVSKTMMIAQQLYEGVETKDGHIAFITYMRTDSTRVSDYAKEEARNLITEVFGEEYVG--------------AHEAIRPTNVFMTPEEAGKYLNSDQKKLYELIWKRFLASQMKPSQYEETRFVLRTKDGKYRFKGTVLKKIFDGYEKVWKTER---NTGEFPFEEGESVKPVVVKIEEQETKPKPRYTEGSLVKEMERLGIGRPSTYASTIKLLLNRGYIKKIRGYLYPTIVGSVVMDYLEKKYSDVVSVSFTAEMEKDLDEVEQGKKTDKIVLREFYESFSSVFDRNDRIVV----DF--PTNQKCS-CGKEMRLSFGKYGFYLKCE---------CGKTRSVKN--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2GAI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2803 -9263 -3.30 -16.63 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -3.30 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.473

(partial model without unconserved sides chains): PDB file : Tito_2GAI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GAI-query.scw PDB file : Tito_Scwrl_2GAI.pdb: