Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKLFSQLWIYFASIVFISILVTLLCFLGFIFLLSRHSISPAESAGKPTLYPLFVFAGFSMVVGTGISIFVGRRILHPISALGTNMSLVATGDFSIRMDEQQKVAEVQQLYKDFHVMVQELNSIETLRNDFVSSVSHEFKTPLATIQGYVQLL--QAPNLSDEERQIFLYRIIESITQLSQLTENILKLNKLENQRIQLEKKEYRLDEQIREVIVFFQPKWEKEQL----ELDIELAAVNYTGNEEFLYQVWLNIMDNAIKYNQINGQ---IHIKLFETATEIVLEVTDSGVGMNEETRDRMFEKFYQGDTS--RQISGNGLVTFTG 4JAS Chain:A ((13-213)) -------------------------------------------------------------------------------------------------------------------------LKRIDRMKTEFIANISHELRTPLTVIKGYAEMIYNSLGELDLSTLKEFLETIIEQSNHLENLLNELLDFSRLERKSLQINREKVDLCDLVESAVNAIKEFASSHNVNVLFESNVPCPVEAYI-DPTRIRQVLLNLLNNGVKYSKKDAPDKYVKVILDEKDGGVLIIVEDNGIGIPDHAKDRIFEQFYRVDSSLTYEVPGTGL-----

General information: TITO was launched using: RESULT: Template: 4JAS.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 : 541 26010 48.08 136.89 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 48.08 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.400

(partial model without unconserved sides chains): PDB file : Tito_4JAS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JAS-query.scw PDB file : Tito_Scwrl_4JAS.pdb: