Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLQAQLQSLKEATLVKITAAQDLNELNQIRVETLGKKGPITEVLRGMKDLSPEERPKVGSFANEIRDLLTEEIERKKQVLEEEALNAALAKETIDVTLPGRKVKHGTRHIVTQIMEEIEDIFVGMGYQIVEGYEVESDHYNFERMNLPKDHPARDMQDTFYISDEILIRTHTSPVQARTMEKHDFSKGALRMISPGKVFRRDTDDATHSHQFHQIEGLVVDKNITMGDLKGTLEVVMKKMFGKDREIRLRPSYFPFTEPSVEVDVSCFKCGGAGCNVCKYTGWIEILGAGMVHPNVLKMSGIDPEEYSGFAFGLGPDRVAMLRYGVNDIRNFYQNDLRFLSQFKGE 4P72 Chain:C ((90-338)) --------------------------------------------------------------------------------------------ERIDVTLPGRGQLSGGLHPVTRTLERIEQCFSRIGYEVAEGPEVEDDYHNFEALNIPGHHPARAMHDTFYFNANMLLRTHTSPVQVRTMESQ---QPPIRIVCPGRVYRCDSD-LTHSPMFHQVEGLLVDEGVSFADLKGTIEEFLRAFFEKQLEVRFRPSFFPFTEPSAEVDIQC--------------GWLEVMGCGMVHPNVLRMSNIDPEKFQGFAFGMGAERLAMLRYGVNDLRLFFDNDLRFLGQFR--

General information: TITO was launched using: RESULT: Template: 4P72.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1128 -128245 -113.69 -545.72 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain C : 0.79 3D Compatibility (PKB) : -113.69 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_4P72.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4P72-query.scw PDB file : Tito_Scwrl_4P72.pdb: