Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVDMENRYRPPSPLDDSVLDSALFVRGMEELRDISQSMDEDALSSFEMTENQSGLGSGSESSTELDALTPASSPSSGVYGCPVGQDEFTSTSLNLECRVCSDRASGYHYGVHACEGCKGFFRRTIRLKLEYDKCERRCKIQKKNRNKCQYCRFQKCLSVGMSHNAIRFGRMPQSEKLRLKAEILTGERDVEDDQKTLAKQIYEAYVKNFNMNKSKARTILTGKTST-PPFVIHDMETLQLAEQTFVAKMMGSCGGLLNKDPEVRIFHCCQCTSVETVTELTEFAKSVPGFSNLDLNDQVTLLKYGVHEALFAMLASCMNKDGLLVAYGSGFITREFLKSLRRPFSDMMEPKFQFAMKFNSLELDDSDLALFVAAIICCGDRPGLVNVPHIERMQESIVNVLHLHLKSNHPDHGFLFPKLLQKLVDLRQLVTEHAQLIQEIKKTE-DTSLHPLLQEIYRDMY 1KKQ Chain:B ((3-269)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DLKSLAKRIYEAYLKNFNMNKVKARVILSGKASNNPPFVIHDMETLCMAEKTLVAKLVAN--GIQNKEAEVRIFHCCQCTSVETVTELTEFAKAIPGFANLDLNDQVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRKPFCDIMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEKMQEGIVHVLRLHLQSNHPDDIFLFPKLLQKMADLRQLVTEHAQLVQIIKKTESDAALHPLLQEIYRDMY

General information: TITO was launched using: RESULT: Template: 1KKQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1067 -75252 -70.53 -283.97 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -70.53 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.281

(partial model without unconserved sides chains): PDB file : Tito_1KKQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1kkq-query.scw PDB file : Tito_Scwrl_1KKQ.pdb: