Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDSQQSKPKHVMMMAAGTGGHVFPALAVAKQLQQQGCQVSWLATPIGMENRLLKDQNIPIYQIDIQGVRGNGVIRKLAAPFKILKATFSAMRYMKQLKVDAVAGFGGYVAGPGGLAARLLGIPVLIHEQNAVAGFTNAQLSRVAKVVCEAFPNTFPASEKVVTTGNPVRREITDILSPKWRYDEREQAGKPLNILIVGGSLGAKALNERLPPALKQLQVPLNIFHQ--CGQQQVEATQALYADAPANLTVQVLPFIEDMAKAYSEADLIICRAGALTVTEVATAGVAAVFVPLPIAVDDHQTANAKFLADVGAAKICQQSTMTPEVLNQLFTTLMNRQLL-TEMAVKARQHAQPNATQHVVGLIQKM 3S2U Chain:A ((3-352)) ---------GNVLIMAGGTGGHVFPALACAREFQARGYAVHWLGTPRGIENDLVPKAGLPLHLIQ--------------APLELLKSLFQALRVIRQLRPVCVLGLGGYVTGPGGLAARLNGVPLVIHEQNAVAGTANRSLAPIARRVCEAFPDTFPA---RLTTGNPVRGELFLDA-H----ARAPLTGRRVNLLVLGGSLGAEPLNKLLPEALAQVPLEIRPAIRHQAGRQHAEITAERYRTVAVE--ADVAPFISDMAAAYAWADLVICRAGALTVSELTAAGLPAFLVP-----DDHQTRNAEFLVRSGAGRLLPQKSTGAAELAAQLSEVLMHPETLRSMADQARSLAKPEATRTVVDACL--

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 : 1944 -158309 -81.43 -487.10 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -81.43 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.562

(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: