Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKIGNRPQTQISLLLQLFMAVMFLAGAAVFTYPFLADALSNYLDQRRIENYQKQLERDKEEKHEQQLAVHEKKNQTLAHTSVIPGMGQVKDPFEQAVRNVQNPG--KEYYEQHMIGAIYIPKINVSLPLFDETNDLLLDRGATVLQGTSFPTGGESTHSVITAHSGIAEKKLFTDLEEMEQDDRFYLEVYGRMLAYEVVEKIVVLPTKTNTLAIREKQDLVTLITCTPYTVNTHRLLVTGRRVPFTEEVSSKIEQTKKYHLYRLLILLLGILLVLTLFGYWCYRKFKRQKQRKKNNR 2W1J Chain:A ((4-198)) -----------------------------------------------QQIADFDKEKATLDEADIDERMKLAQAFNDSLNNVVS-------GDPWSEEMKKKGRAEYARMLEIHERMGHVEIPVIDVDLPVYAGTAEEVLQQGAGHLEGTSLPIGGNSTHAVITAHTGLPTAKMFTDLTKLKVGDKFYVHNIKEVMAYQVDQVKVIEPTNFDDLLIVPGHDYVTLLTCTPYMINTHRLLVRGHRIPYVA--------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2W1J.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 : 1055 -27584 -26.15 -142.92 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -26.15 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.543

(partial model without unconserved sides chains): PDB file : Tito_2W1J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2W1J-query.scw PDB file : Tito_Scwrl_2W1J.pdb: