Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------MGLTVTEITVSSACKCLGVSTSGYYAWRKRQIYVNQKYT---DLKAVYWQHYARLGAPSLVHDMHDLGYCMS---------------ERTVGRMLKKISLRSKIARK--------------------- 3WEB Chain:A ((1-132)) FVFEDCGSEVGKFSDIIISSCDP----SEEKCSIIRESEIHVSMKFTPSVDVKNVEAKAFGVLLDVPVPFPLKKPEICKDPDSGVKCPLKKDVEIEYKVTFFVEKATPALSLEIMWEFRNEKDEKITCVKFPAKIK

General information: TITO was launched using: RESULT: Template: 3WEB.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 : 215 -2462 -11.45 -28.96 target 2D structure prediction score : 0.28 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -11.45 2D Compatibility (Sec. Struct. Predict.) : 0.28 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.131

(partial model without unconserved sides chains): PDB file : Tito_3WEB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WEB-query.scw PDB file : Tito_Scwrl_3WEB.pdb: