Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKMRNLISNYELAKDLLKNWEYDEENLDEMLSYFRISSNAIYPF-FYKKK-ICFLRIAPTDEKRKENIYGEIEFIQYLREHDFK-ALCPVPSKNGEFIRIVNTKWGEYYATVFEKVAGKPVEACEYSEKMYHEYGKTMGRMHRLSSGFKPII-KKWTH----EDVLNEIETMLTLYH---C-----------SNKAKIELENLRVELAK------LPKNHLSYGLIHYDFELDNVFYDEKTNTCSVIDFDDGMYHWYSTDIEQFLDSVSEEKGELEAEQVKIAFFEGYQSEYPIVEETKNSIPLMRRFINLYSYVRIHHCLSDSFTSEKEWMTELRVKLTNMLKSIEETW 4PDY Chain:A ((20-305)) ---------APLIPQAVVSKYDLAIQQR----H-----ADGNIEVWTDSKGRRYAAKRSSIA---PAHCRIMVQCLRHAQEQGFTKFARFVTTSSNAPYVR----HGDFTYYVTEWVSGQPANF--GLPEHVAQTAYTLAQFHEATRSFRTDWK--DDVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRDVIAYLEAERSSGGWCHLDVIPSNCLYTPQ-HQVVLIDFELARPAPRALDMAHLLRRSLER--GNWDGHLAYACFLHFDAVRNIPKSEYRAVEAILRFPYLP--------------------------------------

General information: TITO was launched using: RESULT: Template: 4PDY.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 : 1051 -19738 -18.78 -78.01 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -18.78 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.365

(partial model without unconserved sides chains): PDB file : Tito_4PDY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4pdy-query.scw PDB file : Tito_Scwrl_4PDY.pdb: