Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAVYTKLSDEYIKNILKSYSFK-KVDRIEEISEGILNTNYFVEGDKGKFIFRILEGE--RDYTEEVKELEFL-EYLNLNGFPCPTAIKNDLGENYTFIDGKMTSVFTFIEGEKVKSI--NENNIKEIGQKLGKMHNLLKDRDIKRNRKIDMQYFYDIISK-ADLRGILKDD-----------YDFIMKYYER-ASKIDY---SNLPFGIIHNDIFPDNVFM--QEGEISGIIDFNDCLRGPLILDLAIVISFWIRNR----------GFSDEVENRLTEVFLNAYESERKITEEEKELMNEALIRIALTFIFLRVNKFHVEDNSSVNMEFKNYKDLLPLLRYF 4WH1 Chain:A ((6-292)) ---------EVLFGIASHFALEGAVTGIEPYGDGHINTTYLVTTDGPRYILQQMNTSIFPDTVNLMRNVELVTSTLKAQGKETLDIVPTTSGATWAEIDGGAWRVYKFIEHTVSYNLVPNPDVFREAGSAFGDFQNFLSEFDASQLTET-IAHFHDTPHRFEDFKAALAADKLGRAAACQPEIDFYLSHADQYAVVMDGLRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDEKDLSKVHFSTELFRAYTEGFVG--ELRGSITAREAELL--------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WH1.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 : 1039 22702 21.85 89.73 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 21.85 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.409

(partial model without unconserved sides chains): PDB file : Tito_4WH1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4wh1-query.scw PDB file : Tito_Scwrl_4WH1.pdb: