Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEQMKITNLTDEQISFQLILHSGNARSCIIQSLRAYKEGKKDEADALIAKAEQDLSAAHDIHFQMIQKESGGEATAFSLLLMHAEDHLMSTLSMKELVKEMLDLFKTKNI 3K1S Chain:A ((3-106)) -----AMMTTAEQIPFQLILNSGNARSFAMEALQFAKQGKMAEADEAMVKAKEAINEAHHFQTELIQSEARGEKTEISVLLIHAQDHLMNAITVKELAAEFIDLYKKLE-

General information: TITO was launched using: RESULT: Template: 3K1S.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 : 339 -18271 -53.90 -175.68 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -53.90 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.600

(partial model without unconserved sides chains): PDB file : Tito_3K1S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K1S-query.scw PDB file : Tito_Scwrl_3K1S.pdb: