Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEEEKMNKEELQMLGFEIVAYSGDARSTLLKLLKEVRQGNFEHVDSALKEADENLTLAHNSQTKILAEEASGKEMEMGFIFIHGQDHLMTTLLLRDLIQDFIVLYRQNQG 3K1S Chain:A ((9-104)) -----------EQIPFQLILNSGNARSFAMEALQFAKQGKMAEADEAMVKAKEAINEAHHFQTELIQSEARGEKTEISVLLIHAQDHLMNAITVKELAAEFIDLYKK---

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 : 318 -21807 -68.57 -227.15 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -68.57 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.440

(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: