Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVNNTPHHLAALADAAVPGLRPVDLHMVAENIGERFHVGFVVDDEERAWVVRLPADRVSAALQEASIP--FLLEVGRHLPFDVPQPAGTAALGDGRPAMVYPYLYGRIVDFALLPPGPGI-------------------ATGIGAALAALHDVPVGALDDTGVPVYDAQECRHRLVSDVDR-GARTGLVPTQLLTRWERTLDDASWWDFTTVPVHGYLSNAHLLTDFPTEDTSSGRVSAIVSWEGAKIGDPAEDLAAIARSAPPEAVDTVFGAYAQHRRGTVDPHLRERARLLGELRLLSRLLAAHSSGDEPAVAHVVRTMRRLVDLLADDTLAPSTSTVRTAVPVTFEDEPVDEDWYSSGATLPGGNPRIDVTGAGSDAEDGGRSSTGETTYAGAVPEETPHGSGGDGDLRGPDTYRG 5UXD Chain:A ((29-250)) ------------------------------EEIGLDFRVAFARAHDGGDWVLRLP--RRPDVLERAAVEGRLLAMLAPHLDVAVP---------DWRIST------SELIAYPLLPGSPGLTVAADGEVSWHVDMASTVYARSLGSVVAQLHAVDAEAAAATGIEVRSPAQVRGAWRQDLARVGAEFEIAPA-LRERWEAWLADDGCWPGHSVLTHGELYPAHTLVE-------DERITAVLDWTTAAVGDPAKDLMFHQVSAPSAIFEVALQAYAE-----------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5UXD.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 : 748 -9403 -12.57 -47.02 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -12.57 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.217

(partial model without unconserved sides chains): PDB file : Tito_5UXD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5uxd-query.scw PDB file : Tito_Scwrl_5UXD.pdb: