Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRLATRFEKLQSQQRKALVSYVMAGDPQPQVTVPLLHKMVAAGVDVIELGLPFSDPMADGPVIALAAERALAAGTNTLDALNMVKEFREQDQETPVVLMGYLNPVEVIGYEKFVSYAKQCGVDGLLLVDLPPEESKEFGAILKQHDMDQIFLLAPTSTDQRIQHVANQASGFIYYVSLKGVTGAATLDTSEAAARIEKIKGMTNVPVGVGFGISDAASAKAMGSVADAVIVGSAFVKSFATLAADEAVEQTVNKVKELRAALDELV 5K9X Chain:A ((5-241)) -NRIDKTLEKLKANRKKMLSPYITAGDPYPELTVSLMHQLVKSGADVLELGIPFSD---EGPVIQRAMERALAHSIHCDDVLNMVRQFRKTDTETPVILMGYLNPIEQYGYDLFAQQAVEAGVDGTILVDLPPEEADGVSRVWQKHGLYSIYLCSPTTSAERMNYINQHANGYLYYVSL-------ALKLPELKAQYLQRKAQSKLPLMVGFGIKTPEMAAQVAEFADGVIVGAALIN-----------------------------

General information: TITO was launched using: RESULT: Template: 5K9X.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 : 1167 -168951 -144.77 -744.28 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -144.77 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.667

(partial model without unconserved sides chains): PDB file : Tito_5K9X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5K9X-query.scw PDB file : Tito_Scwrl_5K9X.pdb: