Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTPDTSMKRVVVKIGSSSLTSLHGEISIRKLEALVDQVVKLKDAGYEVILVSSGAVAAGYRKLGFIQRPEKLPEKQASASIGQGLLMEAYSKLFLAHGYVASQILITRSDFSDEYRYNNVRNTMNVLLERGIIPIINENDTVTVNRLKFGDNDTLAAKVAGLIDADMLVILSDIDGLYDGNPRTNPEAKKIQRVSEITPDIEACAGDTGSIVGTGGMRSKLDAFKIVMASGIKGFLGQADAGDILYHAVHEQAEGTYFEAEGTLPLNQKEQWIAFNSGPEGEMILSDDCSRKITNGQSSLYLDGVQKIKGKFKSGSVVRLMDSKGTEIGLGIVNYSSVQLQEPEKKKELTNRALIDQEAFVCHVDFSLPVN 2AKO Chain:A ((2-227)) -------KRIVVKVGSHVISE-ENTLSFERLKNLVAFLAKLMEK-YEVILVTSAAISAGHTKLD-IDR-KNLINKQVLAAIGQPFLISVYNELLAKFNKLGGQILLTGKDFDSRKATKHAKNAIDMMINLGILPIINENDATAIEEIVFGDNDSLSAYATHFFDADLLVILSDIDGFYDKNPSEFSDAKRLEKITHIKEEWL---------HGTGGIVTKLKAAKFLLEHNKKMFLA--------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2AKO.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 : 1073 -124430 -115.96 -573.41 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -115.96 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.531

(partial model without unconserved sides chains): PDB file : Tito_2AKO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AKO-query.scw PDB file : Tito_Scwrl_2AKO.pdb: