Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEHLPEQYRQLFPTLQTHTMLASCSQSALAEPVSRAIQDYYDSLLYKGTNWKEAIEKTEFARNEFAKLIGAEP-DEVAIVPSVSDALVSVASSLTAFGKK---HVVYTDMDFPAVPHVWQ---AHSDYTVSVIP-SIDGVLPLEQYETHISDETVLTCVPHVHYRDGYVQDIKAIAEISQRKGSLLFVDAYQSAGHIPIDVKEWGVDMLAAGTRKYLLGIPGVAFLYVRKELADALKPKASAWFGRESGF-------DGAYAKVARRFQTGTPAFISVYAAAAALSLLNHIGVSHIRDHVKTICADAVQYAAEKGLQLAAAQGGIQPGMVAIRDERASETAGLLKKKKVICAPRENVIRLAPHFYNTKEEMRHAIDEIAAKTIHK 1KMK Chain:A ((64-307)) ----------------------------------------------------QATEKMENVRKRASLFINARSAEELVFVRGTTEGINLVANSWGNSNVRAGDNIIISQMEHHANIVPWQMLCARVGAELRVIPLNPDGTLQLETLPTLFDEKTRLLAITHVSNVLGTENPLAEMITLAHQHGAKVLVDGAQAVMHHPVDVQALDCDFYVFSGHK-LYGPTGIGILYVKEALLQEMPP----WEGGGSMIATVSLSEGTTWTKAPWRFEAGTPNTGGIIGLGAALEYVSALGLNNIAEYEQNL----------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1KMK.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 : 1206 -172424 -142.97 -752.94 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -142.97 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.535

(partial model without unconserved sides chains): PDB file : Tito_1KMK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KMK-query.scw PDB file : Tito_Scwrl_1KMK.pdb: