Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDSQQSKPKHVMMMAAGTGGHVFPALAVAKQLQQQGCQVSWLATPIGMENRLLKDQNIPIYQIDIQGVRGNGVIRKLAAPFKILKATFSAMRYMKQLKVDAVAGFGGYVAGPGGLAARLLGIPVLIHEQNAVAGFTNAQLSRVAKVVCEAFPNTFPASEKVVTTGNPVRREITDILSPKWRYDEREQA---GKPLNILIVGGSLGAKALNERLPPALKQ--LQVPLNIFHQCGQQQVEATQALYADAPANLTVQVLPFIEDMAKAYSEADLIICRAGALTVTEVATAGVAAVFVPLPIAVDDHQTANAKFLADVGAAKIC-QQSTMTPEVLNQLFTTLMNRQLLTEMAVKARQHAQPNATQHVVGLIQKM 3S2U Chain:A ((4-348)) ----------NVLIMAGGTGGHVFPALACAREFQARGYAVHWLGTPRGIENDLVPKAGLPLHLIQ--------------APLELLKSLFQALRVIRQLRPVCVLGLGGYVTGPGGLAARLNGVPLVIHEQNAVAGTANRSLAPIARRVCEAFPDTFPA---RLTTGNPVRGELF--------LDAHARAPLTGRRVNLLVLGGSLGAEPLNKLLPEALAQVPLEIRPAIRHQAGRQHAEITAERYRT--VAVEADVAPFISDMAAAYAWADLVICRAGALTVSELTAAGLPAFLVP-----DDHQTRNAEFLVRSGAGRLLPQKSTGAAELAAQLSEVLMHPETLRSMADQARSLAKPEATRTVV------

General information: TITO was launched using: RESULT: Template: 3S2U.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 : 1851 -118671 -64.11 -374.36 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -64.11 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.571

(partial model without unconserved sides chains): PDB file : Tito_3S2U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3S2U-query.scw PDB file : Tito_Scwrl_3S2U.pdb: