Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAVKDFMTRK--VVYISPDTTVSHAADLMREQELHRLPVIEND-QLVGLVTEG---TIAQASPSKATSLSIYEMNYLLNKTK---VKDVMIRDVVTVSGYASLEDATYLMLKNKIGILPVVD-NHQVYGVITDRDVFQAFLEIAGYGEEGIRVRFVTEDEVGVLGKIVSLIVEENLNISHTVNIPRKDGKVIIEVQIDGSIDLPALKEKFEANGIQVEEIVRTSAKVL 4GQV Chain:A ((77-229)) --VGEFMTKKEDLHVVKPTTTVDEALELLVENRITGFPVIDEDWKLVGLVSDYDLLALD-----------------------GKLVGDLMTPAPLVVEEKTNLEDAAKILLETKYRRLPVVDSDGKLVGIITRGNVVRAALQIK------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4GQV.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 : 500 -12665 -25.33 -116.19 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -25.33 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.567

(partial model without unconserved sides chains): PDB file : Tito_4GQV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GQV-query.scw PDB file : Tito_Scwrl_4GQV.pdb: