Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANVLMIGFPGEGHINPSIGVMKELKSRGENITYYAVKEYKEKITALDIEFREYHDFRGDYFGKNATGDEERDFTEMLCAFLKACKDIATHIYEEVKHESYDYVIYDHHLLAGKVIANMLKLPRFSLCTTFAMNEEF------------AKEMMGAYMKGSLEDSPHYES-----YQQLAETLNADFQAEIKKPFDVFLADGDLTIVFTSRGFQPLAEQFGERYVFVGPSITERA--GNNDFPFDQIDNENVLFISMGTIFNNQKQFFNQCLEVCKDFDGKVVLSIGKHIKTSELNDIPENFIVRPYVPQLEILKRASLFVTHGGMNSTSEGLYFETPLVVIPMGGDQFVVADQVEKVGAGKVIKKEELSESLLKETIQEVMNNRSYAEKAKEIGQSLKAAGGSKKAADSILEAVKQKTQSANA 2IYA Chain:A ((20-419)) --------IPGHGHVNPSLGIVQELVARGHRVSYAITDEFAAQVKAAGATPVVYDSILPKESNPEESWPEDQE--SAMGLFLDEAVRVLPQLEDAYADDRPDLIVYDIASWPAPVLGRKWDIPFVQLSPTFVAYEGFEEDVPAVQDPTA-------------------EDGLVRFFTRLSAFLE---EHGVDTPATEFLIAPNRCIVALPRTFQIKGDTVGDNYTFVGPTYGDRSHQGTWEGPGD---GRPVLLIALGSAFTDHLDFYRTCLSAVDGLDWHVVLSVGRFVDPADLGEVPPNVEVHQWVPQLDILTKASAFITHAGMGSTMEALSNAVPMVAVPQIAEQTMNAERIVELGLGRHIPRDQVTAEKLREAVLAVASDPGVAERLAAVRQEIREAGGARAAAD-ILEGI---------

General information: TITO was launched using: RESULT: Template: 2IYA.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 : 1920 -44162 -23.00 -122.67 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -23.00 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.553

(partial model without unconserved sides chains): PDB file : Tito_2IYA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IYA-query.scw PDB file : Tito_Scwrl_2IYA.pdb: