Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLIAIDLDGTLLNSKHQVSLENENALRQAQRDGIEVVVSTGRAHFDVMSIFEPLGIKTWVISANGAVIHDPEGRLYHHETIDKKRAYDILSWLESEN-YYYEVFTGSAIYTPQNGRELLDVELDRFRSANPEADLSVLKQAAEVQYSQSGFAYINSFQELFEADEPIDFYNILGFSFFKEKLEAGWKRYE-HAED-LTLVSSAEHNFELSSRKASKGQALKRLAKQLNIPLEETAAVGDSLNDKSMLEAAGKGVAMGNAREDIKSIADA--VTLTNDEHGVAHMMKHLL 3PGV Chain:A ((21-283)) YQVVASDLDGTLLSPDHFLTPYAKETLKLLTARGINFVFATGRHYIDVGQIRDNLGIRSYMITSNGARVHDSDGQQIFAHNLDRDIAADLFEIVRNDPKIVTNVYREDEWYMNRHR---------FFKEAV-----------------FN-YKL-YEPGEL----DPQGISKVFFTCEDHEHLLPLEQAMNARWGDRVNVSFSTLTCLEVMAGGVSKGHALEAVAKMLGYTLSDCIAFGDGMNDAEMLSMAGKGCIMANAHQRLKDLHPELEVIGSNADDAVPRYLRKLY

General information: TITO was launched using: RESULT: Template: 3PGV.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 : 1434 -58011 -40.45 -229.29 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -40.45 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.509

(partial model without unconserved sides chains): PDB file : Tito_3PGV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PGV-query.scw PDB file : Tito_Scwrl_3PGV.pdb: