Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------------------MKKGQLFIGALTCLVASMSWGAMFPVADHALEFVD----------------PFYFSFIRYGVVTIM-------LVILLLVREGKKSFHLEGKAKWIILFGVMAFTIYNVLIFLGQRLMGK--SGIMTASIAEALM----PMLSIVILWGYKHVK-PKKYTMISILIAFLGAS-----MVITKG--NISFFFSLGDHLFSILFIFIGVLGWVVY--TMGGQIFREWSTL--RYSTLTCLFGTAITG-IMTAILTAQGYVSVPSIKVIAAIKYDFLFMITLPGIIALLSWNYG-IKILSSING-----ILFI----NFVPITTLLIMVIKGYNITAFDIVGTLFVIIG--LILNNIYQRKEDYKQVLQKEKTNLTIT--- 4O2X Chain:A ((5-483)) EGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIA-YPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALAAAQTNAAANLEKIKKLRNVITSAWKVILYNDDIHNFTYVTDVIVKVVGQISKAKAHTITVEAHSTGQALILSTWKSKAEKYCQELQQNGLTVSIIHES

General information: TITO was launched using: RESULT: Template: 4O2X.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 : 1671 -115129 -68.90 -359.78 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -68.90 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.189

(partial model without unconserved sides chains): PDB file : Tito_4O2X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4O2X-query.scw PDB file : Tito_Scwrl_4O2X.pdb: