Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIISKDIKMLALVTGASAGFGYSISKKLIESG---YNVIGCGRRAEKLEELQKQLGENF-----YPLVFDMTDTAENINKLFKELPNEFQIDQIDLLVNNAGLALGLEPADKADLDDWYTMIDTNVKGFVTVTRLILPSMVKKKSGLIINMGSIAGTYPYPGGNVYGATKAFVEQFSLNLRADLAGTGVRVTNIEPGLCGGTEFSLVRFKGDQEKANSLYDKKNPILPEDIANTVAWIASQPPHININRIEMMPTTQTFNPLKVVEVE 3RKU Chain:D ((33-278)) -------KKTVLITGASAGIGKATALEYLEASNGDMKLILAARRLEKLEELKKTIDQEFPNAKVHVAQLDITQ-AEKIKPFIENLPQEFK--DIDILVNNAGKALGSDRVGQIATEDIQDVFDTNVTALINITQAVLPIFQAKNSGDIVNLGSIAGRDAYPTGSIYCASKFAVGAFTDSLRKELINTKIRVILIAPGLV-ETEFSLVRYRGNEEQAKNVYKDTTPLMADDVADLIVYATSRKQNTVIADTLIFPTNQ-----------

General information: TITO was launched using: RESULT: Template: 3RKU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1238 3258 2.63 13.69 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain D : 0.80 3D Compatibility (PKB) : 2.63 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.584

(partial model without unconserved sides chains): PDB file : Tito_3RKU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RKU-query.scw PDB file : Tito_Scwrl_3RKU.pdb: