Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKVKRNAPCPCGSGKKYKKCCGSKVVDFPAELAAKEAKQIQEDLVEYAFTVHRESISGFINQHDFLSAMDRQTKDISV-FNLGIWGIF---------FHPLAGEKTIFEEYLQKKGDSITRPKTREIVESWQSMTPALLLLKDLKEGIIHFEDVITA--KQFEVEMDASNQDLPPVGSLILGYPIHEAEK-AEFFMQFTIFPVKRTEALISK-VKKYADAAVKDGKTPEDFMKQEFNNVLFALLAEKDEEPQAEKAEVSTVEWANDLEKETAAAIEEGMSGEEYPTELIPAVIDIWKTFCEKKSPVIRKPEAFAAAVEYYVNAISLNGASVSQAKLAKKYGVSASTISSRYKEIESTLQDEADRFAQALSS 1IRX Chain:A ((304-492)) -----------------------------------------------------------------FIYARHRPNKEIKIDLGLGILNLYDEFEKVERIYFGVEG-----EELRRTYELSMPKKPERLVAQAPFRFLAVLVQLPHLTE-----EDIINVLIKQGHIPRDLSKEDVERV-KLRINLARNWVKKYAPEDVKFSILE-KPPEVEVSEDVREAMNEVAEWLENHEEFSVEEFNNILFEV---------AKRRGISSREWFSTLYR------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1IRX.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 : 424 -55730 -131.44 -327.82 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -131.44 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.230

(partial model without unconserved sides chains): PDB file : Tito_1IRX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1IRX-query.scw PDB file : Tito_Scwrl_1IRX.pdb: