Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIISKDIKMLALVTGASAGFGYSISKKLIESGYNVIGCGRRAEKLEELQKQLG--ENFYPLVFDMTDTAENINKLFKELPNEFQIDQIDLLVNNAGLALGLEPADKADLDDWYTMIDTNVKGFVTVTRLILPSMVKKK-SGLIINMGSIAGTYPYPGGNVYGATKAFVEQFSLNLRADLAGTGVRVTNIEPGLCGGTEFSLVRFKGDQEKANSLYDKKNPILPEDIANTVAWIASQPPHININRIEMMPTTQTFNPLKVVEVE 2NWQ Chain:C ((21-266)) -------SSTLFITGATSGFGEACARRFAEAGWSLVLTGRREERLQALAGELSAKTRVLPLTLDVRDRAA-MSAAVDNLPEEFA--TLRGLINNAGLALGTDPAQSCDLDDWDTMVDTNIKGLLYSTRLLLPRLIAHGAGASIVNLGSVAGKWPYPGSHVYGGTKAFVEQFSLNLRCDLQGTGVRVTNLEPGLC-ES-------------------GAHPIQPEDIAETIFWIMNQPAHLNINSLEIMPVSQSWAGF------

General information: TITO was launched using: RESULT: Template: 2NWQ.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 : 1221 -39790 -32.59 -177.63 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain C : 0.84 3D Compatibility (PKB) : -32.59 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.628

(partial model without unconserved sides chains): PDB file : Tito_2NWQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NWQ-query.scw PDB file : Tito_Scwrl_2NWQ.pdb: