Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------MANEETVGLRIIEEAFKLPMVKVDRRAFLIQTFQGKVSDIEGLIEKGPQAFLSKEMLDREAQKCIQS-----------ITLKSSAVSLATGLPG---GIAMAATIPADLLQFFGYSLRLAQEISYIYGFKDLMGENGELSEEAKNTLILYLGIMLGVTSAGSAVRAMSGKLSTQALKKIPQKALTQTLYYPVIKRVLGIF---GTKLTKNTFAKGISKAVPVVGGVVSGGINYLSMKPMATKLQTELGKNVAYTEESLQQDLDILEGEFEEVSSDIASS--DTVLSQLERLSH--LLETNM--ITEEEFQQLKQELLKK- 4Q3O Chain:A ((31-347)) EVPIPQSISAEFKAALAQYPTPSVEEARSFVPTTAAQWRDYVQATNKMQKTKIKNMRKHYGVTVELLDIKGVTVRKITPKSLSPEFKDHVYIDIHGGAYVLFAGLPSIEEGILIAHRLG---IVVYSVDYRMPPAYPFPAALDDVKHVYRVLSQQYDANH-----IFMGGTSAGGGLLLAFVQGLIENGVATPRAIYAGTPWADLTKTGDSLYTNEGIDRILITYDGTLGASARLYAG--NTPLTHPKLSPIYGDF-TDFPPTFLVTGTR-----DMFLSDTVRVNRKMRDAGVTTVLDVYEGLSHADYLVSHQTPESQSVYRQLKRFLVGFT

General information: TITO was launched using: RESULT: Template: 4Q3O.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 : 1471 3458 2.35 12.35 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 2.35 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.173

(partial model without unconserved sides chains): PDB file : Tito_4Q3O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q3O-query.scw PDB file : Tito_Scwrl_4Q3O.pdb: