Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLLIASLIAISSSSIFAADTTASAAKNDVFKQAEQLYAAKNYPAAFQEVQRLAQTGN--AQAIYNLGYMTQMGQGTAKDNAKALKYYEDASNKGY--AQASYTLAQIYETGELGVAKDSNKFSQYIQKAAAQG--SDDATVKIATILFAQKKPQSHQIALQKLAPLIRKGNYPAI---QVKALYDISQGVENKNPLMKRQGIEALQTIAQK--GYAPASMALATMMANGNIIPQNLPQAKQIFTELAKQNV--PNARESLASVEKIIAEKNKQAAAAPTQPAPKK 5A31 Chain:F ((566-782)) --------------------------SPEAWCAAGNCFSLQREHDIAIKFFQRAIQVDPNYAYAYTLLGHEFVL----TEELDKALACFRNAIRVNPRHYNAWYGLGMIYYK-----QEKFSLAEMHFQKALDINPQSSVLLCHIGVVQHALK---KSEKALDTLNKAIVIDPKNPLCKFHRASVLFAN--------EKYKSALQELEELKQIVPKESLVYFLIGKVYKKLG----QTHLALMNFSWAMDLDPKGANNQIKEAIDKR--------------------

General information: TITO was launched using: RESULT: Template: 5A31.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 904 5580 6.17 27.35 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain F : 0.61 3D Compatibility (PKB) : 6.17 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.537

(partial model without unconserved sides chains): PDB file : Tito_5A31.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5A31-query.scw PDB file : Tito_Scwrl_5A31.pdb: