Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRLPLLEVSQLKMHFDAGKKRTVKAVDGVTFQIREGETFGLVGESGCGKSTLGRVLMRLYQPTEGSVTYRGTNLHAL---SEKEQFAFNRKLQMIFQDPYASLNPRMTVREIIL---------EPMEIHNLYNTHKARLLVVDELLEA-VGLHPDFGSRYPHEFSGGQRQRIGIARALSLNPEFIVADEPISALDVSVQAQVVNLLKRLQKEKGLTFLFIAHDLSMVKHISDRIGVMYLGHMMEITESGTLYREPLHPYTKALLSSIPIPDPELEDKRERILLKGELPSPVNPPSGCVFRTRCPEAMPECGESRPQLQEIEPGRFVACHLYRNAETKEKVR 2ONJ Chain:A ((360-558)) -----------------------------INLSIEKGETVAFVGMSGGGKSTLINLIPRFYDVTSGQILIDGHNIKDFLTGSLRNQIGLVQQDNILFSD---------TVKENILLGRPTATDEEVVEAAKMANAH-------DFIMNLPQGYDTEVGER-GVKLSGGQKQRLSIARIFLNNPPILILDEATSALDLESESIIQEALDVLSKDR--TTLIVAHRLSTITH-ADKIVVIENGH---IVETGT-------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2ONJ.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 : 904 -105939 -117.19 -569.56 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -117.19 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.445

(partial model without unconserved sides chains): PDB file : Tito_2ONJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ONJ-query.scw PDB file : Tito_Scwrl_2ONJ.pdb: