Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANGNKQAGQRISPSLTLLLATACGIIVANLYYAQPLVGLISKAIGLSPSGAGLIVTLTQIGYVAGLLFLVPLGDIIENKKLIVVSLLLSAAALTLTAFV---KHGTLFLAAAFFVGLGS-IAAQVLVPFASYLASDAARGRVVGNVMSGLLLGIMLSRPISSLVA--DIWGWNAIFALSAVVSVILAIVLSKVLPARKPTA---NTNY---TA--------------------L-------LGSMWKLLRTTPVLRRRAIYHAFVFG-----AFSLFWTTVPLLLSGPDFHFSQKAIALY-ALVGIAGAVTAPIGGRLADRGLTRLATGIALGVVVVSLLLPLMIQ-SSSPVG---ITVLVAAAILLDMGVSANLVLSQRAIFS-LAPEIRSRLNGLFMAIFFLGGAIGSSIGGWAYASGGWSTALWIGIAFPVIALLYFITEK 4PYP Chain:A ((63-430)) -------------------------------------------------TLWSLSVAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGFSKLGKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGTLHQLGIVVGILIAQVFGLDSIMGNKDLWPLLLSIIFIPALLQCI-VLPFCPESPRFLLINRNEENRAKSVLKKLRGTADVTHDLQEMKEESRQMMREKKVTILELFRSPAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFE--KAGVQ--QPVYATIGSGIVNTAFTVVSLFVVQRAGRRTLHLIGLAGMAGCAILMTIALALLEQLPWMSYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVEQLCG-----------------------

General information: TITO was launched using: RESULT: Template: 4PYP.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 : 1283 -216818 -168.99 -681.82 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -168.99 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.286

(partial model without unconserved sides chains): PDB file : Tito_4PYP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PYP-query.scw PDB file : Tito_Scwrl_4PYP.pdb: