Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------MATIDLPDNLVQTLSLVLNQLQQVLPEPKQETDFTAPAFRWENQQLKAIYTP--KNIYLDDLKGIERQKEKIIQNTLQFLNGLPANDVLLTGSRGTGKSSIVRALLTEYAPQ------GLRLIEIERDDL--ADLPKIQKIIQNRPEKYIVYCDD---LAFNAEDENYRSLKSVLDGSLQS-GSTNFIIYATSNRRHLLPEFMHENTPVTKVDVPQYTELHPQEAIEEKISLSDRFG----------LWLSFYPMDQNLYLEIVEHYLDKANM--PFNDEVRAESLRWCQMRGQRSGRAAYQFSKHWIGLNALKDLSNN 4XGU Chain:A ((4-424)) PMKTLKNIHAEIRICQKFPKSTVQKRFSEFEELIKAASKNARNWKPISLNELFEKLVIGTCELRDGELFENDLTINPSNIHVYKLHKDGPLSSQLWQLPCVEFDSIWENLIYDSNLKNEVMSYVAALARLSEKHVNTKIINVNRL----ILLTGPPGTGKTSLCKGLAQHLSIRMNDKYSKSVMLEINSHSLFSKWFSESGKLVQKMFDQIDELAEDEKCMVFVLIDEVIRAVNALLTQIDRIRRRDNVLILCTSNLESTLDKALVDRADIVKN-VGQPSDFARYSMLKSSIMELARIGVVIDNEVHTDYWPQDICDTKAPRNEFTEILFKIAQEARGLSGRAISMLPTLVYSKSPEETITLPNCMNLFLEAVKERLSRNN

General information: TITO was launched using: RESULT: Template: 4XGU.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 : 1308 25960 19.85 90.14 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 19.85 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.292

(partial model without unconserved sides chains): PDB file : Tito_4XGU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XGU-query.scw PDB file : Tito_Scwrl_4XGU.pdb: