Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRIAISGGGTGGHIYPALAFIKEVQRRHPNVEFLYIGTENGLEKKIVERENIPFRSIEITGFKRKLSFENVKTVMRFLKGVKKSKSYLAEFKPDAVIGTGGYVCGPVVYAAAKMGIPTIVHEQNSLPGITNKFLSKYVNKVAICFEEAKSHFP-SEKVVFTGNPRASEVVSIKTGRSLAEFGLSEDKKTVLIFGGSRGAAPINRAVID--MQDVLKTRDYQVLYITGEVHYEKVMNELKSKGAADNMVTKPFLHQMPEYLKAIDVIVARAGATTIAEITALGIPSVLIPSPYVTANHQEVNARSLGQHDAAIVLKETELSGEKLIEALDRIVLNEQTLKEMSERTKSLGVPDAAARLYSVLEELKK 3S2U Chain:A ((5-343)) --VLIMAGGTGGHVFPALACAREFQARGYAVHWL--GTPRGIENDLVPKAGLPLHLIQ--------------APLELLKSLFQALRVIRQLRPVCVLGLGGYVTGPGGLAARLNGVPLVIHEQNAVAGTANRSLAPIARRVCEAFPDT---FPA---RLTTGNPVRGELFLDAHARA----PLTGRRVNLLVLGGSLGAEPLNKLLPEALAQVPLEIRP-AIRHQAGRQHAEITAERYRTVAVEADVA--PFISDMAAAYAWADLVICRAGALTVSELTAAGLPAFLVP-----DDHQTRNAEFLVRSGAGRLLPQKSTGAAELAAQLSEVLMHPETLRSMADQARSLAKPEA-------------

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 : 1813 -192894 -106.39 -614.31 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -106.39 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.530

(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: