Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKQKLSVKNSITDYIEWLAQYGASADGGVTRLLYTKEWMDAQLAVKTEMSSFGLETRFDDVGNVFGRLSGT-QSPDEVIVTGSHIDTVINGGKYDGAYGVLAAMLALKQLKETYGAPK-KTLEAVSLCEEEGSRFPMTYWGSGNMTGVFS-EQDAKE--PRDESGVSLQTAMHESGFGKGV-FQS--AYR--TDISAFVELHIEQGKTLEMSGRDLGIVTSIAGQRRYLVTLEGECNHAGTT--SMKWRKDPLAASSRIIHELLLRSDELP-----DELRLTCGKITA-EPNVANVIPGRVQFSIDIRHQHQHVLEQFHQDMVALINGICLQKGIRAV-IDEYMRIEPVPMDERLKAAAFETALENGFSCEEMVSGAGHDAQMIG-RRYPACMLFVPSRGGVSHSPKEYTSARQLEIGVRALTDLLYKLAY 4PXE Chain:A ((23-428)) -----------QIDELSSFSDAPSPS---VTRVLYTDKDVSARRYVKNLMALAGLTVREDAVGNIFGKWDGLEPNL-PAVATGSHIDAIPYSGKYDGVVGVLGAIEAINVLKRS-GFKPKRSLEIILFTSEEPTRFGISCLGSRLLAGSKELAEA-LKTTVVDGQNVSFIEAARSAGYAEDKDDDLSSVFLKKGSYFAFLELHIEQGPILEDEGLDIGVVTAIAAPASLKVEFEGNGGHAGAVLMPY-R-NDAGLAAAELALAV----EKHVLESESIDTVGTVGILELHP-GAINSIPSKSHLEIDTRDIDEARRNTVIKKIQESANTIAKKRKVKLSEFKIVNQDPPALSDKLVIKKMAEAATELNLSHKMMISRAYHDSLFMARISPMG-MIFIPCYKGYSHKPEEYSSPEDMANGVKVLSLTLAKLS-

General information: TITO was launched using: RESULT: Template: 4PXE.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 : 2200 34620 15.74 89.69 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 15.74 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.498

(partial model without unconserved sides chains): PDB file : Tito_4PXE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PXE-query.scw PDB file : Tito_Scwrl_4PXE.pdb: