Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDIQTVLSDLKL---NGKVIPVVGGDVNQTYRIKTEHRAYFLKIHPNVK---K-GFFEAEVDGLKELSAF-VRVPDTYMLGET------SEGAYLLMEWIE-PG-------KGDQRDLAAALANLHQQTAPQFGFRKDNYLGTLVQKNSFEEDWWTFFFKDRLE-SQISLAEETNRWNVQRQEKYLRFKERVLKSVEPKKITPRLLHGDLWSGNVFFDQ--QGHPVFVDPA-VSYGNREQDIAMSQLFGG------------------FRPEFLDAYQTIFPLEKGWKDRLPIYQLYYLLAHLNMFGESYGSQVDQLLENF 4WH3 Chain:A ((8-278)) --LFGIASHFALEGAVTGIEPYGDGHINTTYLVTTDGPRYILQQMNTSIFPDTVNLMRNVELVTSTLKAQGKETLDIVPTTSGATWAEIDGGAWRVYKFIEHTVSYNLVPNPDVFREAGSAFGDFQNFL-SEFDASQL--TETIAHFHDTPHRFEDFKAA--LAADKLGRAAACQPEIDFYLSHADQYAVVMDGLRDG-SIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDEKDLSKVHFSTELFRAYTEGFVG------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WH3.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 : 888 8257 9.30 36.37 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 9.30 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.302

(partial model without unconserved sides chains): PDB file : Tito_4WH3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4wh3-query.scw PDB file : Tito_Scwrl_4WH3.pdb: