Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQAKGEAAMRDLIAELHAMQSPYTVQRFISSGSYGAVCAGVDS-EGIPVAIKRVFNTVSDGRTVNILSDSFLCKRVLREIRLLNHFHHPNILGLRDIFVHFEEPAMHKLYLVTELMRTDLAQVIHDQRIVISPQHIQYFMYHILLGLHVLHEAGVVHRDLHPGNILLADNNDITICDFNLAREDTADANKTHYVTHRWYRAPELVMQFKGFTKLVDMWSAGCVMAEMFNRKALFRGSTFYNQLNKIVEVVGTPKLEDVVMFSSPSARDYLRNSLSNVPARAWTAVVPTADPVALDLIAKMLEFNPQRRISTEQALRHPYFESLFDPLDLTEGLSER-FHFDESVTDV--WDMHKIFTAEVERFNDLRERREEVARERAMAAQQQGEQVLGTDHMPRTHSLMELAGNAPAPS 4FV5 Chain:A ((25-354)) ----------------------YTNLSYIGEGAYGMVCSAYDNVNKVRVAIKKI----------SPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHL--SNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVA----------ATRWYRAPEIMLN----TKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLL-SLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSD--EPIAEAPFKFDMELDDLPKEKLKELIFEETARF------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4FV5.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 : 1528 -75256 -49.25 -244.34 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -49.25 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.623

(partial model without unconserved sides chains): PDB file : Tito_4FV5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FV5-query.scw PDB file : Tito_Scwrl_4FV5.pdb: