Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIIVSGQLLRPQDIENWQIDQDLNPLLKEMIETPVQFDYHSIAELMFELKLRMNIVAAAKTLHKSGAKFATFLKTYGNTTYWRVSP------------------------------EGAL----------ELKYRMPPS----KAIRDIAENGPFYAFE------------CATAIVIIYYLALIDTIGEDKFNASFDRIILYDWHYEKLPIYTETG-------HHFFLGDCLYFK-------NPEFDPQKAQWRG--ENVILLGEDKYFAHGLGILNGKQIIDKLNSFRKK--GALQSAYLLSQATRLDVPSLFRIVR------- 4Q3O Chain:A ((31-347)) ------EVPIPQSI-SAEFKAALAQYPTPSVEEARSFVPTTAAQWRDYVQATNKMQKTKIKNMRKHYGVTVELLDIKGVTVRKITPKSLSPEFKDHVYIDIHGGAYVLFAGLPSIEEGILIAHRLGIVVYSVDYRMPPAYPFPAALDDVKHVYRVLSQQYDANHIFMGGTSAGGGLLLAFVQGLIEN-GVATPRAIYAGTPWADLTKTGDSLYTNEGIDRILITYDGTLGASARLYAGNTPLTHPKLSPIYGDFTDFPPTFLVTGTRDMFLSDTVRVNRKMRDAGVTTVLDVYEGLSHADYLVSHQT-PESQSVYRQLKRFLVGFT

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 : 1059 -18587 -17.55 -78.76 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -17.55 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.212

(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: