Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAVKDFMTRKVVYISPDTTVSHAADLMREQELHRLPVI-ENDQLVGLVTEGTIAQASPSKATSLSIYEMNYLLNKTKVKDVMIRDVVTVSGYASLEDATYLMLKNKIGILPVVDNH-QVYGVITDRDVFQAFLEIAGYGEEGIRVRFVTEDEVGVLGKIVSLIVEENLNISHTVNIPRKDGKVIIEVQIDGSIDLPALKEKFEANGIQVEEIVRTSAKVL 3KPC Chain:A ((5-120)) --VKDILSKPPITAHSNISIMEAAKILIKHNINHLPIVDEHGKLVGIITSWDIAKA--------------LAQNKKTIEEIMTRNVITAHEDEPVDHVAIKMSKYNISGVPVVDDYRRVVGIVTSEDISRLF----------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3KPC.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 : 495 -33432 -67.54 -293.26 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -67.54 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.616

(partial model without unconserved sides chains): PDB file : Tito_3KPC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KPC-query.scw PDB file : Tito_Scwrl_3KPC.pdb: