Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTLSCIQQPHQHLQANLEGGVLTLAINRPEAKNALYGELYLWIAKALDEADQNKDVRAVVLRGAEHDFTAGNDMKDFMGFVQNPNAGPAGQVPPFVLLKSAARLSKPLIIAVKGVAIGIGVTILLQADLVFADNTALFQIPFVSLGLSPEGGASQLLVKQAGYHKATELLFTAKKFNAEAAVQAGLVNEIV------EDAYATAQHLTALPLASLKQTKALMKHDLDQIIECIDHETEIFMQRVQSPEMLEAVQAFMQKRKPDFSQFNGFVAQTF 4NEK Chain:A ((7-252)) --------------SHVEGGVQVVRMNRPDKKNALIGEMYAALAEAFAKGEADDDVNVFLILGSQTDFSAGNDLPDFLTW----EALSGSVADRFIRAVAGAR--KPVVAAVRGAAIGIGSTLLPHCDLVYAAPGTRFHMPFINLGIVPEAGSSQTMPALAGHRRAAEMLMLGEPFGVDTAEAVGLINGVVPGEDLEETAMAAARKLAAKPRSILVQIKALMKTPAEPIMDRLTREAAVFDTCLKGEALNEAVSAFKEKRAPDFSK---------

General information: TITO was launched using: RESULT: Template: 4NEK.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 : 1132 -102853 -90.86 -428.55 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -90.86 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.464

(partial model without unconserved sides chains): PDB file : Tito_4NEK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NEK-query.scw PDB file : Tito_Scwrl_4NEK.pdb: