Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALTSIAPVINQYGVTVSTYSEIVEHLKEKYREIYGQDVYLENDSQDGQWIGVIARVVADCNAAVADVYSSMSPSTAGTDALSRNVKINGIRRAVATKSTVSVVLVGAAGTIINNGIVSDKNNNRWLLPTQVVIPPEGEIFVAASAEKPGAILALPNSITTISTPTRGWQSVNNPQASTLGAPVESNVKLRQRQALSTAIPSRSYTEGILGALFSLDGVSRCKVYENKKSFVDPLELPPNSLSVVVAGGDDQLIAETIRVKKAPGCDLYGNTTVI----RPTVYGDPVEIQYWRPVQKSIGLRFELTTNSDYTVDIGEQIKSATADYINQLDIGDRIAINKLYVPAGLYGALDARSYEIESLQLTVDGVPVEGDYTLDFNAVAYCDSDDIEISVAGGG 3KO1 Chain:A ((357-431)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IEERKVGEDKMVFVEGAK-NPKSISILIRGGLERLVDETERALR----DALGTVADVIKDGRAIAGGGAVEIEIAKKLRK----------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3KO1.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 : 77 -4834 -62.78 -68.08 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : -62.78 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.197

(partial model without unconserved sides chains): PDB file : Tito_3KO1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KO1-query.scw PDB file : Tito_Scwrl_3KO1.pdb: