Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDSRMEEAKISLDALVPKNHLVHKIDKILLFDFIYPIVESTYSTIGRPSVDPVILVKLVFIQYLFRIRSMRQSIKEAET--------NLAYRWFL---------GLSLIDKIPHFSTFGKNYVRHFRETDCLNR---------YLSLSLNKQLKLDLFMKKFCIWIQPILKRMRKNIFLQEKWYINKPFYTKNN-------------------------------------- 2VQ2 Chain:A ((4-223)) -ANQVSNIKTQLAMEYMRGQ-----DYRQATASIEDALKSD------PKNELAWLVRAEIYQYLKVNDKAQESFRQALSIKPDSAEINNNYGWFLCGRLNRPAESMAYFDKALADPTYPTPYIANLNKGICSAKQGQFGLAEAYLKRSLAAQPQFPPAFKELARTKMLAGQLGDADYYFKKYQSRVEVLQADDLLLGWKIAKALGNAQAAYEYEAQLQANFPYSEELQTVLT

General information: TITO was launched using: RESULT: Template: 2VQ2.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 : 711 -21222 -29.85 -136.04 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -29.85 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.335

(partial model without unconserved sides chains): PDB file : Tito_2VQ2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VQ2-query.scw PDB file : Tito_Scwrl_2VQ2.pdb: