Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSAVVVSSENLDGQQQSSSTPASPAAEKVNLLGMSRAELEKFFEDIGEKKFRAGQVMKWIHQYFVTDFAEMTNISGKLRAKLEQICEIKAPEVVHRHYSKDGTRKWVFRVGEGSGSLVETVLIPAEDKTGSRKTLCISSQVGCALDCSFCSTGKQGFQRDLTPDEIIGQLWMANYSYMEEVPVAERERSVTNVVMMGMGEPLLNYDAVLSSMHIMLDDFAYGMSKRRVTLSTSGVVPKIDQLAKDIDVALAISLHAPNDELRNELVPINKKYPLAQLIAACQRYIAKDGNESARKHVTIEYVMLEGVNDQPEHAQQLLKLLKNLPSKINLIPFNPFPHAPYGRSSRNRIISFQKTLSDAGFVCTIRQTRGDDIDAACGQLVGQVADRTRRAEQWQKKVAQRQEILRTQG 5HR6 Chain:A ((18-368)) -----------------------------INLLDLNRQQMREFFKDLGEKPFRADQVMKWMYHYCCDNFDEMTDINKVLRGKLKEVAEIRAPEVVEEQRSSDGTIKWAIAVGD---QRVETVYIPEDD----RATLAVSSQVGCALECKFCSTAQQGFNRNLRVSEIIGQVWRA--AKIVGAAKVTGQRPITNVVMMGMGEPLLNLNNVVPAMEIMLDDFGFGLSKRRVTLSTSGVVPALDKLGDMIDVALAISLHAPNDEIRDEIVPINKKYNIETFLAAVRRYLEKSNANQGR--VTIEYVMLDHVNDGTEHAHQLAELLKDTPCKINLIPWNPFPGAPYGRSSNSRIDRFSKVLMSYGFTTIVRKTRGDDIDAA-GQLAGDVIDRTKR-------------------

General information: TITO was launched using: RESULT: Template: 5HR6.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 : 2029 -213948 -105.45 -611.28 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -105.45 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.519

(partial model without unconserved sides chains): PDB file : Tito_5HR6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HR6-query.scw PDB file : Tito_Scwrl_5HR6.pdb: