Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQAKGEAAMRDLIAELHAMQSPYTVQRFISSGSYGAVCAGVDS-EGIPVAIKRVFNTVSDGRTVNILSDSFLCKRVLREIRLLNHFHHPNILGLRDIFVHFEEPAMHKLYLVTELMRTDLAQVIHDQRIVISPQHIQYFMYHILLGLHVLHEAGVVHRDLHPGNILLADNNDITICDFNLAREDTADANKT----HYVTHRWYRAPELVMQFKGFTKLVDMWSAGCVMAEMFNRKALFRGSTFYNQLNKIVEVVGTPKLEDVVMFSSPSARDYLRNSLSNVPARAWTAVVPTADPVALDLIAKMLEFNPQRRISTEQALRHPYFESLFDPLDLTEGLSER-FHFDESVTDV--WDMHKIFTAEVERFNDLRERREEVARERAMAAQQQGEQVLGTDHMPRTHSLMELAGNAPAPS 3QYW Chain:A ((29-358)) ----------------------YTNLSYIGEGAYGMVCSAYDNLNKVRVAIKKI----------SPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHL--SNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLL-SLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSD--EPIAEAPFKF-----DLPKEKLKELIFEETARF------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3QYW.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 : 1540 -45863 -29.78 -144.68 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -29.78 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.581

(partial model without unconserved sides chains): PDB file : Tito_3QYW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QYW-query.scw PDB file : Tito_Scwrl_3QYW.pdb: