Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTEPKLIDPRNLYHTEKFPKQDQDTPALQQNMIPVPDCGEESYEGNNQLENRRVLITGGDSGIGRAAAIAFAREGADIALQFFPGEEKDAEEVAKYVKDAGRKIVLLPFDLRDEQAPKEIIDKAVSELGGLDTMVLNAGQQISCQSIAELPLEQVKDTFMINIIAMFALVKEAVPHIPAGGAIVTTTSVQAFNPSEHLLDYAATKASIANFTIGLAKQLAPKGIRVNGVAPGPIWTPLQLDEGQPSDSIPEFGQQSLLERAGQPGELAPVYVFLASNKASYVTAQIYGVTGGEAINL 3IJR Chain:F ((25-290)) ----------------------------ESLMNPLPQFEDPNYKGSEKLKGKNVLITGGDSGIGRAVSIAFAKEGANIAIAYLDEEG-DANETKQYVEKEGVKCVLLPGDLSDEQHCKDIVQETVRQLGSLNILVNNVAQQYPQQGLEYITAEQLEKTFRINIFSYFHVTKAALSHLKQGDVIINTASIVAYEGNETLIDYSATKGAIVAFTRSLSQSLVQKGIRVNGVAPGPIWTPLIPSS-FDEKKVSQFGSNVPMQRPGQPYELAPAYVYLASSDSSYVTGQMIHVNGGVIVN-

General information: TITO was launched using: RESULT: Template: 3IJR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 1541 -120246 -78.03 -452.05 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain F : 0.83 3D Compatibility (PKB) : -78.03 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.516

(partial model without unconserved sides chains): PDB file : Tito_3IJR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IJR-query.scw PDB file : Tito_Scwrl_3IJR.pdb: