Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAYQWEPQQTLEPPLALELIREQFPDLSPVQIRVLGAGWDNTAFVINEDLIFRFPRREIAVPLLEAEWCILPKLAPRLPLPIPIPKWRGSPASRFPWPFIGYKMLPGFTACYANLSEREREA---LAQPIARFLSHLHATPRSIISGCQIPGDNQGRIDWKQLMPKIRKNIEELSLLSL----LEKRNEL-EALLESLQNLRPPMASIVVHGDFYVRHILVD-EIHHFAGVIDWGDIHLGDPAIDLSVAHSFLPFCAHEKFREAYGEISTDTWSLALLRAIYSSTLLVLYGHHSKDPVILREGLRSLKIMVGK 4N57 Chain:A ((33-250)) -------------------IEQLYPDFTINTIQISGKGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSIN---ISGFK----SNLVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILEN--EIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDF-------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4N57.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 : 789 -51213 -64.91 -245.04 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -64.91 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.352

(partial model without unconserved sides chains): PDB file : Tito_4N57.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4n57-query.scw PDB file : Tito_Scwrl_4N57.pdb: