Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYEGLEDLKVDTVNRKTLAKQVIERIVHLLSSGQLRAGDKLPTEMELMDILHVSRPVLREALSSLETLGVITRKTRGGTYFNDKIGMQPFSVMLALATDNLPAIIEARMALELGLVTIAAEKINEEELQRLQKTIDDIANSTD----NHYGEADKEFHRIIALSANNPVVEGMIQSL-L-ITH-AKIDSQIPYRERDVTVEYHKKIYDALAKRDPYKAHYHMYEHLKFVRDKILKGMDEK 2HS5 Chain:A ((27-233)) ---------------TSRTTRVAGILRDAIIDGTFRPGARL-SEPDICAALDVSRNTVREAFQILIEDRLVAHELNRGVFVRVPT------------AEDITELYICRRVVECAGVNGFD--PATGDLSRVAEALDLADERYAVEDWTGVGTADIHFHSALASLNNSNRIDELMRSVWNEARLVFHV-MDDAHRFHGPYLTRNHEIYDALAAGNTEAAGQLLKTYLEDAEAQILGAYR--

General information: TITO was launched using: RESULT: Template: 2HS5.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 : 797 -104890 -131.61 -524.45 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -131.61 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.538

(partial model without unconserved sides chains): PDB file : Tito_2HS5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HS5-query.scw PDB file : Tito_Scwrl_2HS5.pdb: