Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIKKWLGLAALATVAGLALAACGNSEKKADNATTIKIATVNRSGSEEKRWDKIQELVKKDGITLEFTEFTDYSQPNKATADGEVDLNAFQHYNFLNNWNKENGKDLVAIGDTYISPIRLYSGLNGSANKYTKVEDIPANGEIAVPNDATNESRALYLLQSAGLIKLDVSGTALATVANIKENPKNLKITELDASQTARSLSSVDAAVVNNTFVTEAKLDYKKALFKEQADENSKQWYNIIVAKKDWETSPKADAIKKVIAAYHTDDVKKVIEESSDGLDQPVW 1XS5 Chain:A ((22-221)) ------------------------------------------------------KEEVKKQHIELRIVEFTNYVALNEAVMRGDILMNFFQHVPHMQQFNQEHNGDLVSVGNVHVEPLALYS------RTYRHVSDFPAGAVIAIPNDSSNEARALRLLEAAGFIRMRAGSGLFATVEDVQQNVRNVVLQEVESALLPRVFDQVDGAVINGNYAIMAGLSARRDGLAVEPDASA--YANVLVVKRGNEADARVQAVLRALCG----------------------

General information: TITO was launched using: RESULT: Template: 1XS5.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 : 976 -86574 -88.70 -432.87 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -88.70 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.494

(partial model without unconserved sides chains): PDB file : Tito_1XS5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XS5-query.scw PDB file : Tito_Scwrl_1XS5.pdb: