Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MARLEQLGYHARAARRGSEIDAEAATAIVRRHLGHLGDGLTVIRQRKLYGGSINRVIEWTVRDATGRDRPLVAKVNNLRS-AKLFRREMASLEVYRTQTDLPVPRPLAYLEDEPEFDGSG----LLMQRIDGVNLSEAKVTPAGMRLLQRDLAGHVVALHSHHRSAYGTALEPTGP-RRWLDSFGPVIGEEFFRVRDAIPSATREVIDDIVKNLEVWLPEQSTPTLVHGDLWSNNILVDDRHPDRPEILAFIDVS-ASYCDPEYELAYLRMFQ--TADDSFFERYRRRHPLR-----SGFSRRCRVYWLNTMMMHVRVFGDRYLPQLEDIVRQIRTLG 5IGI Chain:A ((6-300)) ------------------TADTSQLYALAAR-HGLK----LHGPLTVNELGLDYRIVIATVDD----GRRWVLRIPRRAEVSAKVEPEARVLAMLKNRLPFAVPDWRVANAEL--VAYPMLEDSTA-VIQPGSSTPDW-VVPQDSEVFAESFATALAALHAVPISAAVDAGMLIRTPTQARQKVADDVD--RVRREFVV---NDKRLHRWQRWLDDDSSWPDFSVVVHGDLYVGHVLIDNTE----RVSGMIDWSEARVDDPAIDMAAHLMVFGEEGLAKLLLTYEAAGGRVWPRLAHHIAERLAFGAVTYALFALDSGNEEYLAAAKAQLAAA----

General information: TITO was launched using: RESULT: Template: 5IGI.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 : 1285 -56544 -44.00 -201.94 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -44.00 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.300

(partial model without unconserved sides chains): PDB file : Tito_5IGI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5igi-query.scw PDB file : Tito_Scwrl_5IGI.pdb: