Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQEKAIIIGGGPCGLSAAIHLKQIGIDALVIEKGNVVNSIYNYPTHQT--FFSSSEKLEIGDVAFITENR-KPVRIQALSYYREVVKRKNIRVNAFEMVRKVTKTQNNTFVIETSKETYTTPYCIIATGYYDHPNYMGVPGEDLP--KVFH--YFKEGHPYFDKDVVVIGGKNSSVDAALELVKSGARVTVLYRGNEYSPSIKPW---IL----PEFEALVRNGTIRMEFGACV---------------EKITENEVVFRSGEKELITIKNDFVFAMTGYHPDHQFLEKIGVEIDKETGRPFFNEETMETNVEGVFIAGVIAAGNNANEIFIENGRFHGGHIAAEIAKRENH 4USQ Chain:A ((13-331)) --STDIVIIGGGQAALSVAYYLRRSKYSFVMLDAEQTPGGAWLHG-WDSLRLFSPSTWSSLSGWQMPPTGETYPSRDQVVDYLRHYESRYEFPVQRPVWVSAVNNL-GDRLEVVSERQQWRARVVISATGTWRNPFIPAYPGADLFQGAQLHSAHYQSPAPFAGQKVLVVGGGNSGAQILAEVSRVA-DCTWVTTSEPIFLPDDVDGRVLFQRATDRWKA-------DVVMVPPVKEARERGALHAVRPFTRFTANGVVWADGT----GSAVDAVIWCTGFRPALAHLQSLGVI-NP-DGKVDLAG-TRSLQEPRLWLLGYGE------------------------------

General information: TITO was launched using: RESULT: Template: 4USQ.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 : 1436 -13238 -9.22 -48.14 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -9.22 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.388

(partial model without unconserved sides chains): PDB file : Tito_4USQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4USQ-query.scw PDB file : Tito_Scwrl_4USQ.pdb: