Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDKTMKDIQAEVDRYIGQFKEGYFSPLAMMARLTEELGELAREVNHRYGEKPKKATEDDKSMEEEIGDVLFVLVCLANSLDISLEEAHDRVMHKFNTRDKDRWTRKEEGK 3CRA Chain:A ((147-233)) -----------KIQKRCANVGFDWTTLGPVVDKVYEEIDEVMYEARQAV--------VDQAKLEEEMGDLLFATVNLARHLGTKAEIALQKANEKFERRFRE---------

General information: TITO was launched using: RESULT: Template: 3CRA.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 : 156 -1268 -8.13 -15.28 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -8.13 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.294

(partial model without unconserved sides chains): PDB file : Tito_3CRA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CRA-query.scw PDB file : Tito_Scwrl_3CRA.pdb: