Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAVKDFMTRKVVYISPDTTVSHAADLMREQELHRLPVI-ENDQLVGLVTEGTIAQASPSKATSLSIYEMNYLLNKTKVKDVMIRDVVTVSGYASLEDATYLMLKNKIGILPVVDNH-QVYGVITDRDVFQAFLEIAGYGEEGIRVRFVTEDEVGVLGKIVSLIVEENLNISHTVNIPRKDGKVIIEVQIDGSIDLPALKEKFEANGIQVEEIVRTSAKVL 3KPB Chain:A ((3-118)) --VKDILSKPPITAHSNISIMEAAKILIKHNINHLPIVDEHGKLVGIITSWDIAKA--------------LAQNKKTIEEIMTRNVITAHEDEPVDHVAIKMSKYNISGVPVVDDYRRVVGIVTSEDISRLF----------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3KPB.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 : 497 -39822 -80.12 -349.31 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -80.12 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.668

(partial model without unconserved sides chains): PDB file : Tito_3KPB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KPB-query.scw PDB file : Tito_Scwrl_3KPB.pdb: