Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDQAFTFQTLHPDTIMDALFEQGIRVDSGLTPL-NSYENRVYQFQDEDRQRFVVKFYRPQRWSAEQIQEEHQFAHDLLDDDVPVAAPLKF-NNQTLLTHEGFYYAVFPSLGGRQFEADNIDQMEWVARYLGRIHQTGRKEDFIARPTIGIQEYLLEPRQVFETSALIPKALKDNFLNATDKLIDAVKTCWRDEISVLRLHGDCHAGNILWRD--GPLFVDLDDARMGPAVQDLWMLLNGDKA-----EQRMQLETIIEAYEEFSPFNSDEIVLIEPLRAMRFVYYLAWLIRRWDDPAFPRNFPWLTGEDYWRSQISTFTEQVKVLKEPPLQLTPMY 2PPQ Chain:A ((5-286)) --------TDITEDELRNFLTQYDVGSLTSYKGIAE---NSNFLLHTTK-DPLILTLYEK----KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKPEAKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKV-LWDKSEE--RAD-EVEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFLTRLYDWLT-----------------------------------------

General information: TITO was launched using: RESULT: Template: 2PPQ.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 : 1248 -39460 -31.62 -147.79 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -31.62 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.345

(partial model without unconserved sides chains): PDB file : Tito_2PPQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ppq-query.scw PDB file : Tito_Scwrl_2PPQ.pdb: