Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNAKTKLVTDRIRLRCMEDRDQATLFGLLFNDPDVMTYYSGLKDKRQTREWVNWNQR--NEKGYGVSLWIAEDKRTGEFLGQCGIVPQQI----ENQTVMEIGYMFARRHWGNGYAQEAARACLDYGFNERQFGKMAALIDPGNKASIRVAEKIGMHYSKTIRKWNKPIAVYERKSYN 3JUW Chain:A ((8-173)) ---RQVLKTDRLVLEPQSMARFDQWFA-MERQRDEAGHRDLT----EDQAWLRLCARQGMWDAYACGFYYLLDPVSGEMRGEAGFQFRRRGFGPGFDNHPEAAWAVASAHQGRGLAAEAMQALLAHHDRSSGRQRVVALIARSNLPSLRLAERLGFRGYSDVAFDGAAHLLLER----

General information: TITO was launched using: RESULT: Template: 3JUW.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 : 699 -71576 -102.40 -447.35 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -102.40 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.364

(partial model without unconserved sides chains): PDB file : Tito_3JUW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3JUW-query.scw PDB file : Tito_Scwrl_3JUW.pdb: