Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MITLFQCLYLILFSFICYQGAAAFSHSTAASWLAAALGAAAAGLYIWNTKRVWKHCSSGLCAWIAVIQVMSVGVVLIGTDIMPVLCVIAIFAGCEGLRIGQSALQARLSDQIDKLTQAEQHANQMLIDVRSRNHDTMKHITAIKSA-Q---------PKADTQAYIQNWADQYSQYDRFLKG--------------------ENAYVAGVLYDFLEKARASNVSVSLHMHTPL-SSLPFSPADQVSLVGNILENALDSAAEAREKAEIKLETSLRSGLYVLTCENSTPGMDPKVLDTIYQSFGRSTKNGAHEGMGTYIIQKLVKGAFGRLDFTYRHP-IFRLEIKIPFQK 2C2A Chain:A ((20-248)) ----------------------------------------------------------------------------------------------------------------------------KTEFIANISHELRTPLTAIKAYAETIYNSLGELDLSTLKEFLEVIIDQSNHLENLLNELLDFSRLERKSLQINREKVDLCDLVESAVNAIKEFASSHNVNVLFESNVPCPVEAYIDPTRIRQVLLNLLNNGVKYSKKDAPDKYVKVILDEKDGGVLIIVEDNGIGIPDHAKDRIFE-QFYRVD----TGLGLAITKEIVELHGGRIWVESEVGKGSRFFVWIPKD-

General information: TITO was launched using: RESULT: Template: 2C2A.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 : 738 -96606 -130.90 -513.86 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -130.90 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.433

(partial model without unconserved sides chains): PDB file : Tito_2C2A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2C2A-query.scw PDB file : Tito_Scwrl_2C2A.pdb: