Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSAVVVSSENLDGQQQSSSTPASPAAEKVNLLGMSRAELEKFFEDIGEKKFRAGQVMKWIHQYFVTDFAEMTNISGKLRAKLEQICEIKAPEVVHRHYSKDGTRKWVFRVGEGSGSLVETVLIPAEDKTGSRKTLCISSQVGCALDCSFCSTGKQGF---QRDLTPDEIIGQLWMANYSYMEEVPVAERERSVTNVVMMGMGEPLLNYDAVLSSMHIMLDDFAYGMSKRRVTLSTSGVVPKIDQLAKDIDV-ALAISLHAPNDELRNELVPINKKYPLAQLIAACQRYIAKDGNESARKHVTIEYVMLEGV-NDQPEHAQQLLKLLKNLP-SKINLIPFNPFPHAPYGRSSRNRIISFQKTLSDAGFVCTIRQTRGDDIDAACGQLVGQVADRTRRAEQWQKKVAQRQEILRTQG 5FF3 Chain:A ((53-238)) -------------------------------------------------------------------------------------------------------------------------------------IRAIIEFSNVCRKNCLYCGLRRDNKNLKRYRMTPEEIVERARLAVQ------------FGAKTIVLQSGEDPY-MPDVISDIVKEIKK-MGV-----AVTLSLGEWPREYYEKWKEAGADRYLLRHETANPVLHRKLRPD---TSFENRLNCLLTLKEL------GYETGAG--SMVGLPGQTIDDLVDDLLFLKEHDFDMVGIGPFIPHPDTPL--------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5FF3.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 : 865 -16602 -19.19 -92.75 target 2D structure prediction score : 0.79 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -19.19 2D Compatibility (Sec. Struct. Predict.) : 0.79 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.488

(partial model without unconserved sides chains): PDB file : Tito_5FF3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5FF3-query.scw PDB file : Tito_Scwrl_5FF3.pdb: